#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fg6 s LYS 397 N 0.00 4.49 -0.09 1.61 2.20 -1.07 -4.91 119.74 121.97 3fg6 s LYS 397 Ca 0.00 1.91 0.03 0.00 -0.36 0.00 0.00 55.97 57.56 3fg6 s LYS 397 Cb 0.00 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 3fg6 s LYS 397 CO 0.00 -0.08 -0.20 0.08 -0.36 0.00 0.00 175.35 174.79 3fg6 s VAL 398 N -0.22 1.74 -0.05 4.02 1.01 -1.26 -1.88 120.40 123.76 3fg6 s VAL 398 Ca 0.52 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.70 3fg6 s VAL 398 Cb -0.33 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.53 3fg6 s VAL 398 CO 0.38 0.49 -0.14 -1.61 0.00 0.00 0.00 175.10 174.22 3fg6 s GLU 399 N 0.42 1.64 -0.08 2.72 2.02 -0.40 -5.00 118.70 120.02 3fg6 s GLU 399 Ca -0.17 -0.50 0.04 0.00 0.02 0.00 0.00 54.97 54.36 3fg6 s GLU 399 Cb -0.17 -1.40 0.00 0.00 0.10 0.00 0.00 34.13 32.66 3fg6 s GLU 399 CO 0.07 0.16 -0.20 0.42 0.02 0.00 0.00 175.26 175.73 3fg6 s ILE 400 N 0.25 1.70 -0.02 -1.63 1.01 -1.26 -0.29 121.20 120.97 3fg6 s ILE 400 Ca -0.07 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 59.84 3fg6 s ILE 400 Cb -0.12 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 3fg6 s ILE 400 CO 0.02 0.48 -0.25 0.26 0.00 0.00 0.00 174.94 175.46 3fg6 s TRP 401 N 0.40 2.24 0.20 3.97 0.51 -0.32 -2.17 118.94 123.77 3fg6 s TRP 401 Ca -0.15 -0.43 -0.29 0.00 -2.12 0.00 0.00 56.10 53.10 3fg6 s TRP 401 Cb -0.17 -1.44 -0.08 0.00 -0.81 0.00 0.00 33.47 30.97 3fg6 s TRP 401 CO 0.06 -0.04 0.92 0.50 -0.51 0.00 0.00 176.95 177.88 3fg6 s ARG 402 N -0.57 4.79 -0.37 4.98 3.52 0.80 -0.51 118.95 131.60 3fg6 s ARG 402 Ca 0.09 1.43 -0.26 0.00 -0.13 0.00 0.00 55.73 56.87 3fg6 s ARG 402 Cb -0.10 -3.30 0.01 0.00 -1.56 0.00 0.00 34.95 30.01 3fg6 s ARG 402 CO -0.01 0.46 0.91 0.08 -0.81 0.00 0.00 175.30 175.94 3fg6 s VAL 403 N -0.94 4.60 0.00 7.11 1.01 0.05 -1.33 120.40 130.91 3fg6 s VAL 403 Ca 0.41 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.57 3fg6 s VAL 403 Cb -0.25 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 31.81 3fg6 s VAL 403 CO 0.31 -0.52 0.00 1.21 0.00 0.00 0.00 175.10 176.10 3fg6 n GLU 404 N 6.73 0.00 -3.27 2.72 2.13 -1.20 -4.62 120.64 123.13 3fg6 n GLU 404 Ca 0.07 0.00 -0.46 0.00 0.66 0.00 0.00 57.16 57.43 3fg6 n GLU 404 Cb 0.48 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.18 3fg6 n GLU 404 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 3fg6 s ASN 405 N 1.00 7.01 -1.10 4.31 0.02 -1.26 -4.64 114.94 120.28 3fg6 s ASN 405 Ca 0.00 -3.03 -0.09 0.00 -1.02 0.00 0.00 52.86 48.71 3fg6 s ASN 405 Cb 0.00 -2.24 0.08 0.00 0.02 0.00 0.00 41.25 39.11 3fg6 s ASN 405 CO 0.00 -0.51 0.37 0.59 0.02 0.00 0.00 177.10 177.57 3fg6 n ASN 406 N 3.81 -2.79 -3.64 -1.22 3.02 -1.26 -4.85 115.26 108.34 3fg6 n ASN 406 Ca 0.21 -0.31 -0.08 0.00 -0.03 0.00 0.00 54.58 54.36 3fg6 n ASN 406 Cb 0.44 -2.37 -0.07 0.00 -0.61 0.00 0.00 39.78 37.17 3fg6 n ASN 406 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3fg6 s GLY 407 N -2.61 -0.06 0.41 7.41 0.00 -1.26 -5.11 107.32 106.10 3fg6 s GLY 407 Ca 0.37 2.85 -0.24 0.00 0.00 0.00 0.00 44.72 47.69 3fg6 s GLY 407 CO 0.45 1.90 1.13 0.50 0.00 0.00 0.00 173.10 177.08 3fg6 s ARG 408 N 0.26 4.03 -0.09 2.90 0.52 -1.26 -3.21 118.95 122.10 3fg6 s ARG 408 Ca 0.03 1.73 0.01 0.00 -0.52 0.00 0.00 55.73 56.99 3fg6 s ARG 408 Cb -0.05 -2.59 0.02 0.00 0.52 0.00 0.00 34.95 32.85 3fg6 s ARG 408 CO -0.08 -0.31 -0.11 0.42 0.02 0.00 0.00 175.30 175.24 3fg6 s ILE 409 N -1.50 1.14 0.08 1.52 1.01 -0.44 -4.96 121.20 118.05 3fg6 s ILE 409 Ca 0.58 -0.44 -0.31 0.00 0.00 0.00 0.00 60.65 60.49 3fg6 s ILE 409 Cb -0.28 -1.08 -0.10 0.00 0.01 0.00 0.00 42.46 41.02 3fg6 s ILE 409 CO 0.35 0.37 1.88 -1.10 0.00 0.00 0.00 174.94 176.44 3fg6 s GLN 410 N 1.03 4.14 0.22 2.79 -0.21 -1.26 -0.14 119.66 126.22 3fg6 s GLN 410 Ca -0.07 2.59 -0.23 0.00 0.02 0.00 0.00 55.36 57.66 3fg6 s GLN 410 Cb -0.15 -3.84 -0.08 0.00 1.00 0.00 0.00 33.01 29.93 3fg6 s GLN 410 CO -0.01 -0.89 0.79 0.54 -2.12 0.00 0.00 175.29 173.60 3fg6 s VAL 411 N 3.50 4.40 0.10 1.09 0.11 -0.92 -4.84 120.40 123.85 3fg6 s VAL 411 Ca 0.84 1.58 -0.36 0.00 -2.93 0.00 0.00 61.98 61.11 3fg6 s VAL 411 Cb -0.44 -4.02 -0.16 0.00 -1.53 0.00 0.00 36.38 30.23 3fg6 s VAL 411 CO 0.38 0.34 1.40 -0.67 -3.33 0.00 0.00 175.10 173.22 3fg6 n ASP 412 N 1.08 2.01 -0.29 3.54 -0.08 -1.26 -4.89 116.55 116.66 3fg6 n ASP 412 Ca -0.03 1.11 0.03 0.00 -1.51 0.00 0.00 54.79 54.39 3fg6 n ASP 412 Cb 0.50 -1.25 0.17 0.00 2.34 0.00 0.00 41.12 42.88 3fg6 n ASP 412 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 3fg6 h GLN 413 N 4.91 0.75 0.00 -0.67 5.75 -1.98 -0.14 115.11 123.73 3fg6 h GLN 413 Ca -0.47 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 57.94 3fg6 h GLN 413 Cb 1.32 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.69 3fg6 h GLN 413 CO 0.81 0.49 -0.21 -0.91 -2.65 0.00 0.00 178.83 176.36 3fg6 h ASN 414 N 0.77 0.00 -0.28 -0.69 4.21 -2.05 -3.12 115.58 114.42 3fg6 h ASN 414 Ca 0.39 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.90 3fg6 h ASN 414 Cb 0.37 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.57 3fg6 h ASN 414 CO -0.25 0.21 0.00 -1.20 -1.29 0.00 0.00 177.43 174.89 3fg6 n SER 415 N -3.88 2.59 -4.65 5.81 7.64 -0.07 -4.91 113.62 116.15 3fg6 n SER 415 Ca -0.02 -2.26 -0.42 0.00 1.01 0.00 0.00 58.87 57.18 3fg6 n SER 415 Cb 0.30 -0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 63.02 3fg6 n SER 415 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3fg6 s TYR 416 N -1.70 1.94 0.00 1.43 4.12 -1.18 -1.23 117.35 120.73 3fg6 s TYR 416 Ca 0.23 0.22 0.00 0.00 0.02 0.00 0.00 57.07 57.54 3fg6 s TYR 416 Cb 0.16 -3.94 0.00 0.00 -1.52 0.00 0.00 41.96 36.66 3fg6 s TYR 416 CO 0.10 -3.82 0.00 0.41 0.02 0.00 0.00 175.55 172.26 3fg6 n GLY 417 N 4.26 2.18 3.55 0.71 0.00 -1.26 -5.01 105.19 109.61 3fg6 n GLY 417 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3fg6 n GLY 417 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fg6 s GLU 418 N -0.70 3.52 0.09 1.61 2.02 -0.36 -1.03 118.70 123.85 3fg6 s GLU 418 Ca 0.00 -0.15 0.10 0.00 0.02 0.00 0.00 54.97 54.93 3fg6 s GLU 418 Cb 0.00 -3.86 -0.03 0.00 0.10 0.00 0.00 34.13 30.33 3fg6 s GLU 418 CO 0.00 -0.81 -0.25 -0.06 0.02 0.00 0.00 175.26 174.15 3fg6 s PHE 419 N 2.67 2.20 -0.03 1.61 0.40 -0.43 -4.99 117.98 119.41 3fg6 s PHE 419 Ca 0.22 -0.39 -0.20 0.00 -0.60 0.00 0.00 56.93 55.96 3fg6 s PHE 419 Cb -0.15 -1.24 -0.05 0.00 0.51 0.00 0.00 43.02 42.09 3fg6 s PHE 419 CO 0.16 0.24 0.56 0.71 0.70 0.00 0.00 175.22 177.59 3fg6 s TYR 420 N -0.98 3.65 0.46 0.36 2.02 -1.26 -0.13 117.35 121.47 3fg6 s TYR 420 Ca 0.12 1.13 0.18 0.00 -0.37 0.00 0.00 57.07 58.13 3fg6 s TYR 420 Cb -0.10 -2.58 1.17 0.00 -0.40 0.00 0.00 41.96 40.06 3fg6 s TYR 420 CO 0.04 0.34 2.04 0.78 -1.57 0.00 0.00 175.55 177.18 3fg6 h GLY 421 N 5.78 0.00 -2.01 0.71 0.00 -1.88 -2.27 103.07 103.40 3fg6 h GLY 421 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3fg6 h GLY 421 CO 0.70 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.85 3fg6 n GLY 422 N -1.02 1.77 3.25 4.60 0.00 -1.26 -1.46 105.19 111.06 3fg6 n GLY 422 Ca -0.02 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 3fg6 n GLY 422 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fg6 s ASP 423 N -0.60 1.69 0.07 1.61 1.01 -0.86 -4.23 116.67 115.37 3fg6 s ASP 423 Ca 0.27 -1.03 0.06 0.00 0.71 0.00 0.00 52.55 52.56 3fg6 s ASP 423 Cb 0.19 0.01 -0.04 0.00 1.01 0.00 0.00 42.92 44.09 3fg6 s ASP 423 CO 0.11 -0.37 -0.09 0.00 0.21 0.00 0.00 175.17 175.03 3fg6 s TYR 425 N -1.14 1.03 -0.31 0.00 1.51 0.11 -0.77 117.35 117.78 3fg6 s TYR 425 Ca 0.20 -0.31 -0.06 0.00 -1.01 0.00 0.00 57.07 55.89 3fg6 s TYR 425 Cb -0.11 -0.63 0.02 0.00 -0.11 0.00 0.00 41.96 41.14 3fg6 s TYR 425 CO 0.12 0.00 0.08 0.42 -1.11 0.00 0.00 175.55 175.06 3fg6 s ILE 426 N -0.72 3.79 -0.28 2.71 1.01 0.34 -0.13 121.20 127.92 3fg6 s ILE 426 Ca 0.01 -0.91 -0.09 0.00 0.00 0.00 0.00 60.65 59.65 3fg6 s ILE 426 Cb -0.07 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 3fg6 s ILE 426 CO 0.01 -0.02 0.14 -0.63 0.00 0.00 0.00 174.94 174.43 3fg6 s ILE 427 N 1.44 4.70 -0.25 2.92 1.01 0.87 -1.17 121.20 130.72 3fg6 s ILE 427 Ca 0.01 -0.19 -0.08 0.00 0.00 0.00 0.00 60.65 60.39 3fg6 s ILE 427 Cb -0.18 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 3fg6 s ILE 427 CO 0.02 0.20 0.08 -0.22 0.00 0.00 0.00 174.94 175.02 3fg6 s LEU 428 N 1.65 3.49 -0.23 2.97 2.96 0.61 -0.54 118.68 129.59 3fg6 s LEU 428 Ca 0.06 -0.19 -0.05 0.00 -0.22 0.00 0.00 54.13 53.73 3fg6 s LEU 428 Cb -0.16 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 3fg6 s LEU 428 CO 0.07 -0.03 -0.00 -0.47 -1.32 0.00 0.00 176.35 174.59 3fg6 s TYR 429 N 1.60 3.01 -0.14 5.38 5.04 0.13 -1.27 117.35 131.10 3fg6 s TYR 429 Ca 0.06 -0.73 0.01 0.00 -2.44 0.00 0.00 57.07 53.97 3fg6 s TYR 429 Cb -0.15 -2.15 -0.01 0.00 0.35 0.00 0.00 41.96 40.00 3fg6 s TYR 429 CO 0.04 -0.47 -0.16 0.95 -1.34 0.00 0.00 175.55 174.57 3fg6 s THR 430 N 1.50 2.66 0.03 4.34 -4.23 -0.78 -0.94 115.64 118.21 3fg6 s THR 430 Ca 0.06 -0.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 3fg6 s THR 430 Cb -0.15 -2.10 -0.02 0.00 1.34 0.00 0.00 72.50 71.57 3fg6 s THR 430 CO -0.01 0.53 -0.04 -0.72 -0.54 0.00 0.00 174.62 173.84 3fg6 s TYR 431 N 0.60 0.34 0.17 3.99 -0.85 -1.08 -2.59 117.35 117.93 3fg6 s TYR 431 Ca -0.09 -0.60 -0.05 0.00 -0.52 0.00 0.00 57.07 55.80 3fg6 s TYR 431 Cb -0.16 -0.24 0.26 0.00 0.38 0.00 0.00 41.96 42.20 3fg6 s TYR 431 CO 0.03 -0.20 0.94 -2.30 -1.52 0.00 0.00 175.55 172.50 3fg6 n PRO 432 N 1.37 -0.06 0.07 -3.49 -0.02 -1.26 -1.80 135.00 129.81 3fg6 n PRO 432 Ca -0.22 0.94 -0.17 0.00 -2.02 0.00 0.00 63.50 62.02 3fg6 n PRO 432 Cb 0.56 -1.40 -0.08 0.00 -0.02 0.00 0.00 33.50 32.56 3fg6 n PRO 432 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3fg6 h ARG 433 N 0.00 0.52 0.00 -0.52 1.12 -2.03 -3.49 114.38 109.98 3fg6 h ARG 433 Ca 0.28 -0.60 0.00 0.00 -1.11 0.00 0.00 59.98 58.55 3fg6 h ARG 433 Cb 0.43 0.18 0.00 0.00 -0.01 0.00 0.00 29.97 30.57 3fg6 h ARG 433 CO -0.62 1.22 0.00 0.41 -3.11 0.00 0.00 179.97 177.88 3fg6 n GLY 434 N 1.10 2.79 3.03 2.80 0.00 -0.74 -5.17 105.19 109.00 3fg6 n GLY 434 Ca -0.09 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 3fg6 n GLY 434 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fg6 s GLN 435 N 1.80 0.47 -0.08 1.61 -1.52 -1.26 -2.62 119.66 118.06 3fg6 s GLN 435 Ca 0.00 -0.65 0.01 0.00 -1.95 0.00 0.00 55.36 52.77 3fg6 s GLN 435 Cb 0.00 -0.23 0.02 0.00 -0.22 0.00 0.00 33.01 32.58 3fg6 s GLN 435 CO 0.00 0.04 -0.09 0.42 -0.25 0.00 0.00 175.29 175.41 3fg6 s ILE 436 N -1.22 0.97 -0.33 1.08 1.01 -0.12 -1.69 121.20 120.91 3fg6 s ILE 436 Ca -0.09 -0.34 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 3fg6 s ILE 436 Cb -0.09 -0.94 0.03 0.00 0.01 0.00 0.00 42.46 41.47 3fg6 s ILE 436 CO 0.00 0.33 0.12 -0.63 0.00 0.00 0.00 174.94 174.76 3fg6 s ILE 437 N 1.07 4.01 -0.24 2.92 1.01 0.87 -0.70 121.20 130.15 3fg6 s ILE 437 Ca -0.07 -0.91 -0.18 0.00 0.00 0.00 0.00 60.65 59.49 3fg6 s ILE 437 Cb -0.14 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 3fg6 s ILE 437 CO -0.01 -0.09 0.49 -0.31 0.00 0.00 0.00 174.94 175.02 3fg6 s TYR 438 N 1.47 3.31 -0.64 3.97 2.02 0.30 -0.62 117.35 127.15 3fg6 s TYR 438 Ca 0.01 0.66 -0.16 0.00 -0.37 0.00 0.00 57.07 57.21 3fg6 s TYR 438 Cb -0.19 -2.67 0.15 0.00 -0.40 0.00 0.00 41.96 38.85 3fg6 s TYR 438 CO 0.03 -0.20 0.61 0.99 -1.57 0.00 0.00 175.55 175.42 3fg6 s THR 439 N 1.99 5.28 -0.30 -0.71 2.01 -0.24 -0.09 115.64 123.58 3fg6 s THR 439 Ca 0.21 -1.74 -0.27 0.00 0.31 0.00 0.00 61.69 60.20 3fg6 s THR 439 Cb -0.15 -4.40 0.01 0.00 0.01 0.00 0.00 72.50 67.96 3fg6 s THR 439 CO 0.09 -0.96 0.98 0.86 -0.69 0.00 0.00 174.62 174.90 3fg6 s TRP 440 N 1.31 3.20 -0.22 4.92 -0.00 0.82 -0.73 118.94 128.23 3fg6 s TRP 440 Ca 0.09 1.12 -0.05 0.00 -0.00 0.00 0.00 56.10 57.26 3fg6 s TRP 440 Cb -0.23 -3.48 -0.01 0.00 -0.00 0.00 0.00 33.47 29.75 3fg6 s TRP 440 CO -0.00 -0.66 -0.02 -0.65 -0.00 0.00 0.00 176.95 175.62 3fg6 s GLN 441 N 3.36 3.46 0.36 5.86 -0.21 0.10 0.06 119.66 132.65 3fg6 s GLN 441 Ca 0.41 -0.58 -0.27 0.00 0.02 0.00 0.00 55.36 54.93 3fg6 s GLN 441 Cb -0.13 -3.07 -0.09 0.00 1.00 0.00 0.00 33.01 30.71 3fg6 s GLN 441 CO 0.13 -0.16 1.21 0.20 -2.12 0.00 0.00 175.29 174.55 3fg6 s GLY 442 N 1.43 2.95 0.62 3.09 0.00 -0.53 -1.11 107.32 113.77 3fg6 s GLY 442 Ca 0.05 1.07 0.33 0.00 0.00 0.00 0.00 44.72 46.18 3fg6 s GLY 442 CO -0.01 1.65 2.19 0.00 0.00 0.00 0.00 173.10 176.93 3fg6 h ALA 443 N 3.10 1.47 -0.09 3.20 0.00 -1.87 -0.81 119.26 124.25 3fg6 h ALA 443 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3fg6 h ALA 443 Cb 1.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3fg6 h ALA 443 CO 0.64 -0.16 0.00 0.09 0.00 0.00 0.00 179.25 179.82 3fg6 n ASN 444 N -3.50 2.79 -4.74 0.00 3.02 -0.54 -4.99 115.26 107.30 3fg6 n ASN 444 Ca -0.01 -1.86 -0.42 0.00 -0.03 0.00 0.00 54.58 52.26 3fg6 n ASN 444 Cb 0.21 -0.05 -0.01 0.00 -0.61 0.00 0.00 39.78 39.32 3fg6 n ASN 444 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fg6 n ALA 445 N 1.15 2.41 -1.76 5.41 0.00 -0.31 -4.61 120.51 122.79 3fg6 n ALA 445 Ca 0.13 0.37 -0.35 0.00 0.00 0.00 0.00 53.44 53.59 3fg6 n ALA 445 Cb 0.51 -2.44 -0.00 0.00 0.00 0.00 0.00 19.45 17.52 3fg6 n ALA 445 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3fg6 s THR 446 N -0.13 3.26 0.60 0.00 -4.23 -1.26 -4.87 115.64 109.02 3fg6 s THR 446 Ca 0.63 0.78 0.30 0.00 -1.18 0.00 0.00 61.69 62.22 3fg6 s THR 446 Cb -0.51 -3.31 0.36 0.00 1.34 0.00 0.00 72.50 70.39 3fg6 s THR 446 CO 0.50 -0.18 2.09 0.03 -0.54 0.00 0.00 174.62 176.53 3fg6 h ARG 447 N 1.19 0.00 -0.61 3.99 3.08 -1.99 0.15 114.38 120.19 3fg6 h ARG 447 Ca -0.50 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.53 3fg6 h ARG 447 Cb 1.25 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.28 3fg6 h ARG 447 CO 0.57 0.00 0.31 0.22 -1.07 0.00 0.00 179.97 180.00 3fg6 h ASP 448 N 0.00 0.78 -0.38 7.04 3.58 -2.00 -2.30 116.42 123.14 3fg6 h ASP 448 Ca 0.08 -0.11 -0.16 0.00 0.42 0.00 0.00 57.03 57.26 3fg6 h ASP 448 Cb 0.51 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 3fg6 h ASP 448 CO -0.00 0.67 -0.37 -0.33 -2.88 0.00 0.00 179.24 176.34 3fg6 h GLU 449 N 0.83 0.93 -0.60 0.28 5.08 -1.07 -2.59 114.58 117.44 3fg6 h GLU 449 Ca 0.21 -0.48 0.04 0.00 -1.00 0.00 0.00 59.36 58.14 3fg6 h GLU 449 Cb 0.08 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3fg6 h GLU 449 CO -0.03 1.13 0.40 -0.07 -1.00 0.00 0.00 179.01 179.44 3fg6 h LEU 450 N 0.76 0.58 -0.01 1.33 3.38 -1.28 0.18 115.31 120.25 3fg6 h LEU 450 Ca 0.07 -0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.79 3fg6 h LEU 450 Cb 0.96 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 41.59 3fg6 h LEU 450 CO 0.09 0.39 -0.92 0.74 0.09 0.00 0.00 178.44 178.83 3fg6 h THR 451 N 0.67 1.31 -0.62 0.22 2.02 -1.36 -2.86 112.91 112.29 3fg6 h THR 451 Ca 0.25 -2.19 -0.09 0.00 0.77 0.00 0.00 66.41 65.15 3fg6 h THR 451 Cb 0.14 2.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.93 3fg6 h THR 451 CO -0.07 0.67 0.03 0.74 0.37 0.00 0.00 175.52 177.26 3fg6 h THR 452 N 0.29 1.27 -0.39 3.16 2.02 -1.03 -0.57 112.91 117.64 3fg6 h THR 452 Ca -0.11 -1.12 -0.00 0.00 0.77 0.00 0.00 66.41 65.95 3fg6 h THR 452 Cb 1.59 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.74 3fg6 h THR 452 CO 0.18 0.41 0.24 0.77 0.37 0.00 0.00 175.52 177.49 3fg6 h SER 453 N 0.98 0.47 -0.64 4.18 4.64 -0.73 0.12 113.55 122.57 3fg6 h SER 453 Ca 0.18 -0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.41 3fg6 h SER 453 Cb 0.53 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 3fg6 h SER 453 CO 0.03 0.37 0.21 0.00 -0.87 0.00 0.00 176.83 176.57 3fg6 h ALA 454 N 1.11 0.83 -0.74 5.18 0.00 -1.34 -1.89 119.26 122.41 3fg6 h ALA 454 Ca 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3fg6 h ALA 454 Cb -0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 3fg6 h ALA 454 CO -0.03 0.49 0.38 0.35 0.00 0.00 0.00 179.25 180.45 3fg6 h PHE 455 N 0.91 1.02 0.00 0.00 3.57 -0.73 -2.74 116.94 118.97 3fg6 h PHE 455 Ca 0.21 -0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.49 3fg6 h PHE 455 Cb 0.28 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 3fg6 h PHE 455 CO 0.02 0.72 -0.88 -0.07 -2.23 0.00 0.00 178.31 175.87 3fg6 h LEU 456 N 1.03 0.00 -0.71 0.59 3.38 -0.41 -1.92 115.31 117.27 3fg6 h LEU 456 Ca 0.26 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.09 3fg6 h LEU 456 Cb 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3fg6 h LEU 456 CO -0.04 0.88 -0.64 0.71 0.09 0.00 0.00 178.44 179.44 3fg6 h THR 457 N 0.00 1.46 -0.12 0.22 1.35 -1.30 0.12 112.91 114.63 3fg6 h THR 457 Ca -0.01 -2.20 -0.01 0.00 -0.55 0.00 0.00 66.41 63.64 3fg6 h THR 457 Cb 1.57 2.18 -0.00 0.00 -1.73 0.00 0.00 68.15 70.17 3fg6 h THR 457 CO 0.11 0.63 0.02 0.58 -0.25 0.00 0.00 175.52 176.62 3fg6 h VAL 458 N 0.01 1.21 -0.64 6.82 2.07 -1.42 0.12 116.25 124.42 3fg6 h VAL 458 Ca -0.01 -0.67 0.07 0.00 0.82 0.00 0.00 66.70 66.91 3fg6 h VAL 458 Cb 1.14 1.42 -0.06 0.00 -1.52 0.00 0.00 31.29 32.28 3fg6 h VAL 458 CO 0.08 0.19 0.33 1.56 0.02 0.00 0.00 177.57 179.76 3fg6 h GLN 459 N -0.02 0.58 -0.08 1.57 7.50 -1.14 -0.51 115.11 123.02 3fg6 h GLN 459 Ca 0.04 -0.04 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 3fg6 h GLN 459 Cb 0.28 -0.13 -0.00 0.00 0.05 0.00 0.00 27.48 27.68 3fg6 h GLN 459 CO 0.00 0.39 0.02 1.25 -1.50 0.00 0.00 178.83 178.98 3fg6 h LEU 460 N 0.60 0.12 -0.87 1.46 5.85 -0.67 -2.66 115.31 119.14 3fg6 h LEU 460 Ca 0.29 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3fg6 h LEU 460 Cb 0.23 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3fg6 h LEU 460 CO -0.21 0.33 0.55 -0.78 -0.34 0.00 0.00 178.44 178.00 3fg6 h ASP 461 N -0.10 1.02 0.35 1.25 -0.00 -0.52 -2.28 116.42 116.14 3fg6 h ASP 461 Ca 0.02 -0.05 -0.07 0.00 -0.00 0.00 0.00 57.03 56.94 3fg6 h ASP 461 Cb 0.26 -0.26 -0.01 0.00 -0.00 0.00 0.00 39.33 39.32 3fg6 h ASP 461 CO 0.00 0.76 -0.35 0.03 -0.00 0.00 0.00 179.24 179.69 3fg6 h ARG 462 N 1.19 0.00 0.00 0.28 3.08 -1.08 0.18 114.38 118.03 3fg6 h ARG 462 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 3fg6 h ARG 462 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.95 3fg6 h ARG 462 CO -0.06 0.35 0.00 -1.13 -1.07 0.00 0.00 179.97 178.05 3fg6 n SER 463 N -4.12 0.74 -0.41 7.04 3.41 -0.89 -3.03 113.62 116.36 3fg6 n SER 463 Ca -0.02 0.57 0.11 0.00 -0.26 0.00 0.00 58.87 59.28 3fg6 n SER 463 Cb 0.38 -0.77 0.09 0.00 -0.26 0.00 0.00 64.21 63.65 3fg6 n SER 463 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3fg6 n LEU 464 N -2.20 1.74 0.00 1.04 4.77 -0.86 -4.95 117.00 116.53 3fg6 n LEU 464 Ca 0.06 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 3fg6 n LEU 464 Cb 0.42 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3fg6 n LEU 464 CO 0.30 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3fg6 n GLY 465 N 1.40 1.31 1.29 -0.72 0.00 -1.01 -4.49 105.19 102.97 3fg6 n GLY 465 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3fg6 n GLY 465 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg6 n GLY 466 N -0.49 0.63 0.07 -0.02 0.00 0.57 -4.94 105.19 101.01 3fg6 n GLY 466 Ca 0.00 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.67 3fg6 n GLY 466 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3fg6 h GLN 467 N 0.71 0.00 -6.88 1.61 5.75 -1.79 -3.48 115.11 111.03 3fg6 h GLN 467 Ca 0.00 0.00 -0.50 0.00 -0.15 0.00 0.00 58.65 58.00 3fg6 h GLN 467 Cb 0.00 0.00 0.03 0.00 1.07 0.00 0.00 27.48 28.58 3fg6 h GLN 467 CO 0.00 0.00 0.48 0.00 -2.65 0.00 0.00 178.83 176.66 3fg6 s ALA 468 N -3.23 3.29 0.17 3.38 0.00 -1.26 -4.68 121.76 119.42 3fg6 s ALA 468 Ca 0.04 0.89 -0.30 0.00 0.00 0.00 0.00 51.96 52.59 3fg6 s ALA 468 Cb 0.12 -3.34 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 3fg6 s ALA 468 CO 0.76 -0.29 0.99 0.08 0.00 0.00 0.00 175.76 177.31 3fg6 s VAL 469 N -1.33 4.17 -0.16 0.00 1.01 -0.68 -4.93 120.40 118.49 3fg6 s VAL 469 Ca 0.50 1.94 -0.00 0.00 0.00 0.00 0.00 61.98 64.43 3fg6 s VAL 469 Cb -0.30 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 31.83 3fg6 s VAL 469 CO 0.38 0.37 -0.13 -1.10 0.00 0.00 0.00 175.10 174.62 3fg6 s GLN 470 N -0.52 3.29 -0.15 2.72 -0.21 -1.26 -0.09 119.66 123.44 3fg6 s GLN 470 Ca 0.46 -0.71 -0.00 0.00 0.02 0.00 0.00 55.36 55.12 3fg6 s GLN 470 Cb -0.26 -2.68 0.03 0.00 1.00 0.00 0.00 33.01 31.10 3fg6 s GLN 470 CO 0.32 0.05 -0.09 0.42 -2.12 0.00 0.00 175.29 173.87 3fg6 s ILE 471 N 0.76 1.28 -0.43 1.08 1.01 0.21 -4.98 121.20 120.13 3fg6 s ILE 471 Ca -0.05 -0.56 -0.27 0.00 0.00 0.00 0.00 60.65 59.76 3fg6 s ILE 471 Cb -0.15 -1.31 0.02 0.00 0.01 0.00 0.00 42.46 41.03 3fg6 s ILE 471 CO 0.01 0.31 1.03 -0.60 0.00 0.00 0.00 174.94 175.68 3fg6 s ARG 472 N 1.59 3.75 -0.29 2.79 3.52 -1.26 -1.08 118.95 127.96 3fg6 s ARG 472 Ca 0.03 0.53 -0.07 0.00 -0.13 0.00 0.00 55.73 56.09 3fg6 s ARG 472 Cb -0.14 -3.87 0.01 0.00 -1.56 0.00 0.00 34.95 29.40 3fg6 s ARG 472 CO -0.09 -1.18 0.08 0.08 -0.81 0.00 0.00 175.30 173.39 3fg6 s VAL 473 N 3.94 3.99 0.47 7.11 1.01 0.09 -4.94 120.40 132.08 3fg6 s VAL 473 Ca 0.42 -0.67 -0.21 0.00 0.00 0.00 0.00 61.98 61.52 3fg6 s VAL 473 Cb -0.10 -3.06 -0.08 0.00 0.00 0.00 0.00 36.38 33.14 3fg6 s VAL 473 CO 0.25 0.08 1.04 -0.44 0.00 0.00 0.00 175.10 176.04 3fg6 s SER 474 N 1.51 6.38 0.10 3.32 0.01 -1.26 0.03 113.70 123.78 3fg6 s SER 474 Ca 0.03 1.95 -0.35 0.00 1.31 0.00 0.00 55.95 58.90 3fg6 s SER 474 Cb -0.17 -2.56 -0.14 0.00 0.21 0.00 0.00 66.02 63.35 3fg6 s SER 474 CO 0.03 -0.75 1.59 1.67 0.41 0.00 0.00 173.24 176.19 3fg6 n GLN 475 N -0.85 1.97 -0.07 12.44 7.27 -0.27 -1.48 117.38 136.39 3fg6 n GLN 475 Ca 0.09 0.71 0.00 0.00 0.07 0.00 0.00 57.00 57.87 3fg6 n GLN 475 Cb 0.52 -2.47 0.00 0.00 2.41 0.00 0.00 30.24 30.70 3fg6 n GLN 475 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3fg6 n GLY 476 N 3.46 2.31 2.22 1.69 0.00 -1.26 -4.86 105.19 108.75 3fg6 n GLY 476 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 3fg6 n GLY 476 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fg6 n LYS 477 N -2.00 3.34 -2.61 1.61 4.76 -0.55 -4.74 118.16 117.97 3fg6 n LYS 477 Ca 0.00 -4.00 -0.41 0.00 -2.87 0.00 0.00 58.31 51.03 3fg6 n LYS 477 Cb 0.00 -2.28 -0.04 0.00 -1.84 0.00 0.00 35.03 30.87 3fg6 n LYS 477 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3fg6 s GLU 478 N -3.67 4.67 0.65 1.97 8.01 -1.25 -4.44 118.70 124.64 3fg6 s GLU 478 Ca 0.54 1.62 -0.14 0.00 0.01 0.00 0.00 54.97 56.99 3fg6 s GLU 478 Cb 0.43 -3.30 -0.01 0.00 -4.31 0.00 0.00 34.13 26.95 3fg6 s GLU 478 CO -0.04 0.20 1.08 -2.14 0.01 0.00 0.00 175.26 174.37 3fg6 s PRO 479 N -0.52 2.98 0.47 0.39 0.02 -1.26 -4.91 135.00 132.17 3fg6 s PRO 479 Ca 0.47 1.22 0.19 0.00 0.02 0.00 0.00 61.00 62.90 3fg6 s PRO 479 Cb -0.27 -1.99 1.19 0.00 0.02 0.00 0.00 34.50 33.45 3fg6 s PRO 479 CO 0.34 -1.08 1.95 -0.39 -0.33 0.00 0.00 177.00 177.49 3fg6 h VAL 480 N -0.04 0.78 0.64 3.83 -1.51 -2.00 -2.59 116.25 115.36 3fg6 h VAL 480 Ca -0.46 -0.09 -0.03 0.00 -1.23 0.00 0.00 66.70 64.89 3fg6 h VAL 480 Cb 1.23 0.51 0.01 0.00 -2.13 0.00 0.00 31.29 30.90 3fg6 h VAL 480 CO 0.56 0.05 -0.31 -0.74 -1.23 0.00 0.00 177.57 175.89 3fg6 h HIS 481 N 0.25 -0.80 -0.04 5.19 -0.00 -1.99 -1.57 115.15 116.19 3fg6 h HIS 481 Ca 0.32 -0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.68 3fg6 h HIS 481 Cb 0.90 0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 28.57 3fg6 h HIS 481 CO -0.00 -0.46 0.30 1.25 -0.00 0.00 0.00 177.93 179.02 3fg6 h LEU 482 N -1.15 0.00 0.19 0.26 5.85 -1.86 -1.43 115.31 117.17 3fg6 h LEU 482 Ca -0.09 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.31 3fg6 h LEU 482 Cb 0.70 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.74 3fg6 h LEU 482 CO 0.14 0.00 -1.57 -0.07 -0.34 0.00 0.00 178.44 176.60 3fg6 h LEU 483 N 0.00 0.62 -2.11 2.25 3.38 -1.18 -3.30 115.31 114.97 3fg6 h LEU 483 Ca 0.02 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.06 3fg6 h LEU 483 Cb 0.61 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3fg6 h LEU 483 CO -0.00 1.72 0.00 0.77 0.09 0.00 0.00 178.44 181.02 3fg6 h SER 484 N 0.01 0.00 1.16 -0.43 4.64 -0.25 -0.88 113.55 117.80 3fg6 h SER 484 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3fg6 h SER 484 Cb 2.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.12 3fg6 h SER 484 CO 0.18 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.32 3fg6 n LEU 485 N -2.75 0.60 -1.09 5.97 4.32 -1.02 -3.45 117.00 119.58 3fg6 n LEU 485 Ca -0.02 0.58 0.05 0.00 -0.02 0.00 0.00 56.01 56.60 3fg6 n LEU 485 Cb 0.10 -0.42 0.21 0.00 -1.62 0.00 0.00 43.42 41.68 3fg6 n LEU 485 CO 0.18 -0.25 0.61 0.49 -1.22 0.00 0.00 177.39 177.19 3fg6 n PHE 486 N -2.09 0.94 -3.55 -1.77 3.01 -0.33 -4.96 117.46 108.71 3fg6 n PHE 486 Ca 0.05 -0.35 -0.21 0.00 1.01 0.00 0.00 57.45 57.94 3fg6 n PHE 486 Cb 0.35 -0.22 0.01 0.00 -0.01 0.00 0.00 39.48 39.60 3fg6 n PHE 486 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3fg6 n LYS 487 N 0.44 -1.62 -0.40 -1.08 4.76 -1.22 -0.31 118.16 118.72 3fg6 n LYS 487 Ca 0.14 1.10 0.00 0.00 -2.87 0.00 0.00 58.31 56.68 3fg6 n LYS 487 Cb 0.63 -3.11 0.00 0.00 -1.84 0.00 0.00 35.03 30.71 3fg6 n LYS 487 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3fg6 n ASP 488 N -1.91 0.00 -4.78 4.39 9.92 -1.26 -4.83 116.55 118.08 3fg6 n ASP 488 Ca -0.19 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 53.67 3fg6 n ASP 488 Cb 0.64 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 41.07 3fg6 n ASP 488 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3fg6 s LYS 489 N 0.00 4.38 0.61 -1.24 2.20 0.57 -5.05 119.74 121.21 3fg6 s LYS 489 Ca 0.00 0.90 -0.18 0.00 -0.36 0.00 0.00 55.97 56.34 3fg6 s LYS 489 Cb 0.00 -3.29 -0.06 0.00 -1.51 0.00 0.00 37.83 32.97 3fg6 s LYS 489 CO 0.00 0.48 0.79 -2.30 -0.36 0.00 0.00 175.35 173.96 3fg6 n PRO 490 N 2.16 0.69 -3.36 4.03 -0.02 -1.26 -4.87 135.00 132.36 3fg6 n PRO 490 Ca -0.07 0.27 -0.43 0.00 -2.02 0.00 0.00 63.50 61.25 3fg6 n PRO 490 Cb 0.50 -1.99 -0.08 0.00 -0.02 0.00 0.00 33.50 31.90 3fg6 n PRO 490 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3fg6 s LEU 491 N -1.09 5.14 -0.45 2.45 2.96 -0.53 -4.76 118.68 122.41 3fg6 s LEU 491 Ca 0.73 -0.94 -0.17 0.00 -0.22 0.00 0.00 54.13 53.54 3fg6 s LEU 491 Cb -0.41 -2.28 0.04 0.00 0.50 0.00 0.00 46.19 44.04 3fg6 s LEU 491 CO 0.50 -0.60 0.42 -0.63 -1.32 0.00 0.00 176.35 174.72 3fg6 s ILE 492 N 1.94 5.14 -0.49 6.68 1.01 -0.20 -0.40 121.20 134.88 3fg6 s ILE 492 Ca 0.08 -0.67 -0.17 0.00 0.00 0.00 0.00 60.65 59.89 3fg6 s ILE 492 Cb -0.20 -4.09 0.07 0.00 0.01 0.00 0.00 42.46 38.25 3fg6 s ILE 492 CO 0.11 -0.51 0.52 -0.63 0.00 0.00 0.00 174.94 174.42 3fg6 s ILE 493 N 1.96 5.05 0.79 2.92 1.01 0.22 -1.31 121.20 131.84 3fg6 s ILE 493 Ca 0.08 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.84 3fg6 s ILE 493 Cb -0.20 -4.22 0.08 0.00 0.01 0.00 0.00 42.46 38.12 3fg6 s ILE 493 CO 0.10 -0.70 1.16 -0.31 0.00 0.00 0.00 174.94 175.19 3fg6 s TYR 494 N 2.15 2.96 0.26 3.97 4.12 0.81 -1.61 117.35 130.02 3fg6 s TYR 494 Ca 0.10 0.72 -0.04 0.00 0.02 0.00 0.00 57.07 57.87 3fg6 s TYR 494 Cb -0.22 -3.45 0.33 0.00 -1.52 0.00 0.00 41.96 37.10 3fg6 s TYR 494 CO 0.09 -1.72 1.84 -1.00 0.02 0.00 0.00 175.55 174.78 3fg6 h PRO 509 N -0.99 1.01 -5.50 -1.71 0.13 -1.98 -3.38 132.00 119.57 3fg6 h PRO 509 Ca -0.46 -0.17 -0.59 0.00 -0.87 0.00 0.00 66.00 63.91 3fg6 h PRO 509 Cb 1.33 -0.17 -0.10 0.00 0.13 0.00 0.00 31.00 32.19 3fg6 h PRO 509 CO 0.65 0.82 -0.33 0.99 -0.23 0.00 0.00 178.00 179.90 3fg6 s THR 510 N -5.46 5.31 0.01 1.56 2.01 -1.26 -3.68 115.64 114.12 3fg6 s THR 510 Ca -0.11 0.54 0.01 0.00 0.31 0.00 0.00 61.69 62.44 3fg6 s THR 510 Cb 0.16 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 69.04 3fg6 s THR 510 CO 0.81 0.40 -0.04 -0.13 -0.69 0.00 0.00 174.62 174.97 3fg6 s ARG 511 N 0.41 0.29 -0.11 4.92 0.52 -0.37 -4.94 118.95 119.67 3fg6 s ARG 511 Ca 0.16 -0.27 0.02 0.00 -0.52 0.00 0.00 55.73 55.12 3fg6 s ARG 511 Cb -0.13 -0.19 0.01 0.00 0.52 0.00 0.00 34.95 35.16 3fg6 s ARG 511 CO 0.04 0.05 -0.18 -1.17 0.02 0.00 0.00 175.30 174.06 3fg6 s LEU 512 N -0.49 1.84 -0.10 2.53 2.96 -1.26 -0.49 118.68 123.68 3fg6 s LEU 512 Ca -0.03 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.44 3fg6 s LEU 512 Cb -0.04 -1.17 -0.01 0.00 0.50 0.00 0.00 46.19 45.47 3fg6 s LEU 512 CO -0.00 0.06 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.55 3fg6 s PHE 513 N 0.79 2.68 -0.24 5.38 0.40 -0.09 -0.00 117.98 126.90 3fg6 s PHE 513 Ca -0.10 -0.64 -0.10 0.00 -0.60 0.00 0.00 56.93 55.49 3fg6 s PHE 513 Cb -0.16 -1.74 -0.05 0.00 0.51 0.00 0.00 43.02 41.59 3fg6 s PHE 513 CO 0.01 -0.18 0.15 -1.14 0.70 0.00 0.00 175.22 174.76 3fg6 s GLN 514 N 0.06 4.04 -0.25 0.44 0.74 0.21 -1.43 119.66 123.48 3fg6 s GLN 514 Ca -0.07 -0.29 -0.07 0.00 0.05 0.00 0.00 55.36 54.99 3fg6 s GLN 514 Cb -0.15 -3.51 -0.02 0.00 1.10 0.00 0.00 33.01 30.44 3fg6 s GLN 514 CO 0.05 0.06 0.05 0.08 -0.55 0.00 0.00 175.29 174.98 3fg6 s VAL 515 N 1.04 4.05 -0.01 1.34 1.01 0.95 -0.22 120.40 128.55 3fg6 s VAL 515 Ca 0.07 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.73 3fg6 s VAL 515 Cb -0.14 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.33 3fg6 s VAL 515 CO 0.04 0.31 -0.05 -0.60 0.00 0.00 0.00 175.10 174.80 3fg6 s ARG 516 N 1.57 0.48 -0.06 2.72 3.52 -0.28 -2.41 118.95 124.48 3fg6 s ARG 516 Ca 0.06 -0.15 0.02 0.00 -0.13 0.00 0.00 55.73 55.52 3fg6 s ARG 516 Cb -0.15 -0.48 0.01 0.00 -1.56 0.00 0.00 34.95 32.77 3fg6 s ARG 516 CO 0.02 0.07 -0.11 0.50 -0.81 0.00 0.00 175.30 174.96 3fg6 s ARG 517 N 0.13 1.61 -0.07 5.12 3.52 -1.26 -1.05 118.95 126.94 3fg6 s ARG 517 Ca -0.01 -0.38 0.01 0.00 -0.13 0.00 0.00 55.73 55.22 3fg6 s ARG 517 Cb -0.05 -1.35 0.02 0.00 -1.56 0.00 0.00 34.95 32.00 3fg6 s ARG 517 CO -0.00 0.01 -0.10 0.54 -0.81 0.00 0.00 175.30 174.94 3fg6 s ASN 518 N 0.71 1.74 -0.09 -2.12 2.20 -1.26 -4.97 114.94 111.15 3fg6 s ASN 518 Ca -0.14 -0.27 -0.02 0.00 -0.94 0.00 0.00 52.86 51.50 3fg6 s ASN 518 Cb -0.16 -0.76 0.01 0.00 -2.00 0.00 0.00 41.25 38.34 3fg6 s ASN 518 CO 0.03 -0.02 0.03 0.18 -2.94 0.00 0.00 177.10 174.38 3fg6 n LEU 519 N 4.16 -5.12 0.00 3.54 4.77 -1.26 -4.46 117.00 118.63 3fg6 n LEU 519 Ca -0.20 1.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.78 3fg6 n LEU 519 Cb 0.51 -2.16 0.00 0.00 -2.33 0.00 0.00 43.42 39.44 3fg6 n LEU 519 CO 0.22 -2.49 0.00 0.00 -1.33 0.00 0.00 177.39 173.80 3fg6 n ALA 520 N 1.53 0.00 -0.39 -1.18 0.00 -1.26 -4.82 120.51 114.39 3fg6 n ALA 520 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3fg6 n ALA 520 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 3fg6 n ALA 520 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3fg6 n SER 521 N 5.37 0.00 -3.66 0.00 3.41 -1.26 -4.77 113.62 112.71 3fg6 n SER 521 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.46 3fg6 n SER 521 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 3fg6 n SER 521 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 3fg6 s ILE 522 N 0.00 0.01 -0.11 -1.33 2.07 -1.26 -4.99 121.20 115.59 3fg6 s ILE 522 Ca 0.00 -0.11 -0.30 0.00 -1.41 0.00 0.00 60.65 58.83 3fg6 s ILE 522 Cb 0.00 -0.79 -0.03 0.00 0.13 0.00 0.00 42.46 41.77 3fg6 s ILE 522 CO 0.00 -0.06 1.35 -0.89 -1.91 0.00 0.00 174.94 173.42 3fg6 s THR 523 N -0.48 4.08 -0.17 4.00 2.01 -1.26 -4.64 115.64 119.18 3fg6 s THR 523 Ca -0.06 1.34 -0.06 0.00 0.31 0.00 0.00 61.69 63.21 3fg6 s THR 523 Cb -0.03 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 3fg6 s THR 523 CO 0.04 -0.09 0.03 -0.13 -0.69 0.00 0.00 174.62 173.79 3fg6 s ARG 524 N 3.31 3.86 -0.23 4.92 0.52 -0.22 -1.46 118.95 129.66 3fg6 s ARG 524 Ca 0.59 -0.39 -0.05 0.00 -0.52 0.00 0.00 55.73 55.37 3fg6 s ARG 524 Cb -0.25 -3.12 -0.01 0.00 0.52 0.00 0.00 34.95 32.08 3fg6 s ARG 524 CO 0.20 0.29 -0.02 0.42 0.02 0.00 0.00 175.30 176.21 3fg6 s ILE 525 N 0.30 3.60 -0.11 1.52 1.01 0.46 -1.13 121.20 126.86 3fg6 s ILE 525 Ca 0.02 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.26 3fg6 s ILE 525 Cb -0.13 -2.65 0.02 0.00 0.01 0.00 0.00 42.46 39.71 3fg6 s ILE 525 CO 0.01 0.40 -0.12 -0.69 0.00 0.00 0.00 174.94 174.54 3fg6 s VAL 526 N 1.48 1.31 0.25 2.92 1.01 0.69 0.69 120.40 128.75 3fg6 s VAL 526 Ca 0.06 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 3fg6 s VAL 526 Cb -0.14 -1.24 -0.10 0.00 0.00 0.00 0.00 36.38 34.90 3fg6 s VAL 526 CO -0.01 0.41 1.41 -0.70 0.00 0.00 0.00 175.10 176.20 3fg6 s GLU 527 N 1.26 4.29 0.28 2.72 2.12 -0.63 0.67 118.70 129.42 3fg6 s GLU 527 Ca -0.02 2.26 0.03 0.00 0.36 0.00 0.00 54.97 57.60 3fg6 s GLU 527 Cb -0.14 -3.12 -0.06 0.00 0.26 0.00 0.00 34.13 31.07 3fg6 s GLU 527 CO -0.05 -0.38 0.05 0.14 -0.54 0.00 0.00 175.26 174.49 3fg6 s VAL 528 N -0.08 0.99 0.43 3.70 -7.23 0.99 -4.88 120.40 114.32 3fg6 s VAL 528 Ca 0.58 -2.01 -0.25 0.00 -1.81 0.00 0.00 61.98 58.49 3fg6 s VAL 528 Cb -0.41 -2.64 -0.10 0.00 0.56 0.00 0.00 36.38 33.79 3fg6 s VAL 528 CO 0.43 -0.08 1.17 0.47 -0.31 0.00 0.00 175.10 176.78 3fg6 n ASP 529 N -0.56 2.05 -1.99 4.85 8.00 -1.26 -4.14 116.55 123.50 3fg6 n ASP 529 Ca -0.02 1.07 -0.12 0.00 0.71 0.00 0.00 54.79 56.43 3fg6 n ASP 529 Cb 0.66 -1.45 -0.15 0.00 -0.02 0.00 0.00 41.12 40.16 3fg6 n ASP 529 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3fg6 n VAL 530 N -0.36 2.94 -4.19 2.53 0.24 -1.26 -4.76 118.33 113.48 3fg6 n VAL 530 Ca 0.08 -1.51 -0.22 0.00 -2.04 0.00 0.00 64.34 60.64 3fg6 n VAL 530 Cb 0.40 -1.94 -0.06 0.00 -1.47 0.00 0.00 33.84 30.77 3fg6 n VAL 530 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3fg6 s ASP 531 N 1.90 4.96 0.30 -1.34 1.11 -1.26 -4.59 116.67 117.75 3fg6 s ASP 531 Ca 0.61 -0.50 0.08 0.00 0.18 0.00 0.00 52.55 52.93 3fg6 s ASP 531 Cb 0.30 -1.05 0.46 0.00 1.07 0.00 0.00 42.92 43.70 3fg6 s ASP 531 CO -0.01 -0.06 1.69 0.00 1.18 0.00 0.00 175.17 177.96 3fg6 h ALA 532 N 1.67 1.10 -0.05 5.23 0.00 -1.78 -2.79 119.26 122.64 3fg6 h ALA 532 Ca -0.46 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.00 3fg6 h ALA 532 Cb 1.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3fg6 h ALA 532 CO 0.61 0.63 0.00 0.27 0.00 0.00 0.00 179.25 180.75 3fg6 n ASN 533 N -3.97 0.33 0.16 0.00 0.23 -1.26 -1.93 115.26 108.82 3fg6 n ASN 533 Ca -0.02 -2.00 0.11 0.00 -0.53 0.00 0.00 54.58 52.14 3fg6 n ASN 533 Cb 0.52 -0.05 0.08 0.00 -2.08 0.00 0.00 39.78 38.24 3fg6 n ASN 533 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3fg6 h SER 534 N 0.31 0.00 -4.23 0.53 0.02 -1.79 -3.38 113.55 105.01 3fg6 h SER 534 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 3fg6 h SER 534 Cb 0.09 0.00 0.15 0.00 0.14 0.00 0.00 62.40 62.78 3fg6 h SER 534 CO 0.00 0.02 0.34 -0.76 -1.14 0.00 0.00 176.83 175.29 3fg6 s LEU 535 N -5.81 3.18 -0.21 5.07 1.43 -0.81 -4.86 118.68 116.66 3fg6 s LEU 535 Ca 0.03 2.14 -0.07 0.00 -1.03 0.00 0.00 54.13 55.20 3fg6 s LEU 535 Cb 0.07 -4.56 0.10 0.00 0.03 0.00 0.00 46.19 41.83 3fg6 s LEU 535 CO 0.73 -2.27 0.45 0.21 0.23 0.00 0.00 176.35 175.70 3fg6 s ASN 536 N -2.55 -0.36 0.65 2.29 3.84 -1.26 -1.69 114.94 115.87 3fg6 s ASN 536 Ca 0.69 1.06 0.37 0.00 0.21 0.00 0.00 52.86 55.18 3fg6 s ASN 536 Cb -0.24 1.47 2.03 0.00 -0.55 0.00 0.00 41.25 43.96 3fg6 s ASN 536 CO 0.49 -0.23 2.18 0.28 -2.79 0.00 0.00 177.10 177.03 3fg6 h SER 537 N 8.15 0.00 1.24 -4.21 0.02 -1.66 -1.99 113.55 115.10 3fg6 h SER 537 Ca -0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3fg6 h SER 537 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3fg6 h SER 537 CO 0.12 0.00 -0.72 -1.13 -1.14 0.00 0.00 176.83 173.96 3fg6 h ASN 538 N 0.00 0.00 -1.04 3.07 -0.73 -1.75 0.15 115.58 115.28 3fg6 h ASN 538 Ca 0.01 -0.01 -0.63 0.00 1.87 0.00 0.00 56.30 57.54 3fg6 h ASN 538 Cb 0.30 0.00 -0.11 0.00 0.27 0.00 0.00 38.32 38.78 3fg6 h ASN 538 CO -0.00 0.01 -0.52 -1.81 -0.37 0.00 0.00 177.43 174.74 3fg6 s ASP 539 N -5.49 4.15 -0.00 1.15 1.01 -0.75 -3.45 116.67 113.30 3fg6 s ASP 539 Ca 0.02 -1.41 0.00 0.00 0.71 0.00 0.00 52.55 51.87 3fg6 s ASP 539 Cb 0.09 0.02 -0.04 0.00 1.01 0.00 0.00 42.92 44.00 3fg6 s ASP 539 CO 0.75 -0.69 0.06 -0.69 0.21 0.00 0.00 175.17 174.82 3fg6 s VAL 540 N -2.76 4.56 0.06 -1.27 1.01 -1.01 -1.84 120.40 119.16 3fg6 s VAL 540 Ca 0.25 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.83 3fg6 s VAL 540 Cb 0.04 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 3fg6 s VAL 540 CO 0.13 0.35 -0.19 -0.36 0.00 0.00 0.00 175.10 175.04 3fg6 s PHE 541 N -1.17 1.64 -0.19 5.22 0.08 -0.23 -0.03 117.98 123.30 3fg6 s PHE 541 Ca 0.22 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.88 3fg6 s PHE 541 Cb -0.12 -0.95 0.02 0.00 -0.57 0.00 0.00 43.02 41.40 3fg6 s PHE 541 CO 0.13 0.11 -0.16 0.08 -0.10 0.00 0.00 175.22 175.28 3fg6 s VAL 542 N -0.96 2.34 -0.43 -0.44 1.01 -0.51 0.01 120.40 121.40 3fg6 s VAL 542 Ca 0.05 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 3fg6 s VAL 542 Cb -0.09 -2.01 0.08 0.00 0.00 0.00 0.00 36.38 34.36 3fg6 s VAL 542 CO 0.02 0.50 0.29 -0.22 0.00 0.00 0.00 175.10 175.69 3fg6 s LEU 543 N 1.32 5.30 -0.15 3.92 0.20 0.46 -0.92 118.68 128.81 3fg6 s LEU 543 Ca 0.05 -1.54 -0.24 0.00 0.69 0.00 0.00 54.13 53.09 3fg6 s LEU 543 Cb -0.13 -2.02 -0.02 0.00 -0.43 0.00 0.00 46.19 43.59 3fg6 s LEU 543 CO -0.11 -0.58 0.77 -0.75 -0.29 0.00 0.00 176.35 175.39 3fg6 s LYS 544 N 1.45 4.31 0.36 1.98 2.20 0.35 -1.91 119.74 128.48 3fg6 s LYS 544 Ca 0.03 0.91 0.01 0.00 -0.36 0.00 0.00 55.97 56.57 3fg6 s LYS 544 Cb -0.24 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.51 3fg6 s LYS 544 CO 0.02 -0.23 0.55 -0.51 -0.36 0.00 0.00 175.35 174.83 3fg6 s LEU 545 N 1.81 3.98 0.60 5.43 1.43 0.45 -1.24 118.68 131.14 3fg6 s LEU 545 Ca 0.36 0.37 0.36 0.00 -1.03 0.00 0.00 54.13 54.20 3fg6 s LEU 545 Cb -0.17 -3.24 1.93 0.00 0.03 0.00 0.00 46.19 44.75 3fg6 s LEU 545 CO 0.13 -0.35 2.22 -0.65 0.23 0.00 0.00 176.35 177.94 3fg6 h PRO 546 N 0.73 0.00 -0.26 1.29 0.11 -1.84 -2.62 132.00 129.41 3fg6 h PRO 546 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3fg6 h PRO 546 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3fg6 h PRO 546 CO 0.60 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.42 3fg6 n GLN 547 N -3.36 1.50 -3.28 1.05 10.64 -1.26 -4.89 117.38 117.78 3fg6 n GLN 547 Ca -0.02 -0.70 -0.16 0.00 -1.83 0.00 0.00 57.00 54.28 3fg6 n GLN 547 Cb 0.15 -1.20 0.07 0.00 -0.86 0.00 0.00 30.24 28.40 3fg6 n GLN 547 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3fg6 n ASN 548 N 0.07 -3.31 -3.14 2.61 3.02 -0.99 -5.03 115.26 108.49 3fg6 n ASN 548 Ca 0.07 -0.50 -0.16 0.00 -0.03 0.00 0.00 54.58 53.96 3fg6 n ASN 548 Cb 0.19 -4.37 -0.04 0.00 -0.61 0.00 0.00 39.78 34.95 3fg6 n ASN 548 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3fg6 s SER 549 N -3.84 1.17 0.00 6.41 1.04 -1.25 -3.01 113.70 114.21 3fg6 s SER 549 Ca 0.17 -1.58 0.00 0.00 0.48 0.00 0.00 55.95 55.02 3fg6 s SER 549 Cb -0.08 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3fg6 s SER 549 CO 0.61 -1.30 0.00 0.61 0.98 0.00 0.00 173.24 174.14 3fg6 n GLY 550 N -0.61 -0.59 3.22 7.32 0.00 -0.64 -0.41 105.19 113.48 3fg6 n GLY 550 Ca 0.02 -0.97 -0.26 0.00 0.00 0.00 0.00 46.02 44.81 3fg6 n GLY 550 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fg6 s TYR 551 N -3.00 1.79 -0.34 1.61 2.02 -0.80 -0.50 117.35 118.12 3fg6 s TYR 551 Ca 0.00 -0.35 -0.11 0.00 -0.37 0.00 0.00 57.07 56.24 3fg6 s TYR 551 Cb 0.00 -1.13 0.00 0.00 -0.40 0.00 0.00 41.96 40.44 3fg6 s TYR 551 CO 0.00 0.00 0.20 0.42 -1.57 0.00 0.00 175.55 174.60 3fg6 s ILE 552 N -0.56 4.78 -0.47 2.71 1.01 -0.23 -0.40 121.20 128.04 3fg6 s ILE 552 Ca 0.08 -0.54 -0.15 0.00 0.00 0.00 0.00 60.65 60.04 3fg6 s ILE 552 Cb -0.08 -3.53 0.07 0.00 0.01 0.00 0.00 42.46 38.93 3fg6 s ILE 552 CO -0.00 -0.07 0.38 0.86 0.00 0.00 0.00 174.94 176.10 3fg6 s TRP 553 N 1.62 3.26 -0.32 3.97 -0.00 0.10 -1.05 118.94 126.52 3fg6 s TRP 553 Ca 0.04 -1.00 -0.25 0.00 -0.00 0.00 0.00 56.10 54.89 3fg6 s TRP 553 Cb -0.18 -3.14 0.01 0.00 -0.00 0.00 0.00 33.47 30.15 3fg6 s TRP 553 CO 0.07 -0.80 0.85 0.08 -0.00 0.00 0.00 176.95 177.16 3fg6 s VAL 554 N 1.61 4.72 0.88 5.86 1.01 -0.66 -1.07 120.40 132.76 3fg6 s VAL 554 Ca 0.04 1.28 -0.10 0.00 0.00 0.00 0.00 61.98 63.19 3fg6 s VAL 554 Cb -0.24 -4.22 0.12 0.00 0.00 0.00 0.00 36.38 32.05 3fg6 s VAL 554 CO 0.06 -0.32 1.12 -0.83 0.00 0.00 0.00 175.10 175.13 3fg6 s GLY 555 N 1.65 1.67 0.37 4.51 0.00 -0.77 -1.96 107.32 112.80 3fg6 s GLY 555 Ca 0.35 0.42 0.14 0.00 0.00 0.00 0.00 44.72 45.63 3fg6 s GLY 555 CO 0.14 0.83 1.82 0.50 0.00 0.00 0.00 173.10 176.39 3fg6 h LYS 556 N -1.66 0.00 -0.81 2.90 1.57 -1.37 -3.09 116.57 114.10 3fg6 h LYS 556 Ca -0.44 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.76 3fg6 h LYS 556 Cb 1.26 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.21 3fg6 h LYS 556 CO 0.46 0.37 -0.20 0.41 -0.57 0.00 0.00 179.45 179.93 3fg6 n GLY 557 N -0.40 6.14 3.88 3.86 0.00 -0.12 -4.51 105.19 114.05 3fg6 n GLY 557 Ca -0.02 -2.46 -0.36 0.00 0.00 0.00 0.00 46.02 43.18 3fg6 n GLY 557 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg6 s ALA 558 N -3.66 3.87 0.61 4.61 0.00 -1.17 -3.75 121.76 122.28 3fg6 s ALA 558 Ca 0.55 -0.60 -0.11 0.00 0.00 0.00 0.00 51.96 51.80 3fg6 s ALA 558 Cb 0.44 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 3fg6 s ALA 558 CO 0.02 0.63 1.03 -1.54 0.00 0.00 0.00 175.76 175.90 3fg6 s SER 559 N -1.27 6.24 0.32 0.00 1.04 -1.26 -4.94 113.70 113.83 3fg6 s SER 559 Ca 0.20 1.43 0.02 0.00 0.48 0.00 0.00 55.95 58.08 3fg6 s SER 559 Cb -0.13 -2.47 0.55 0.00 0.10 0.00 0.00 66.02 64.07 3fg6 s SER 559 CO 0.09 -0.86 1.87 -0.61 0.98 0.00 0.00 173.24 174.71 3fg6 h GLN 560 N -0.25 0.64 -0.23 4.02 5.75 -2.00 -2.31 115.11 120.73 3fg6 h GLN 560 Ca -0.44 -0.12 -0.04 0.00 -0.15 0.00 0.00 58.65 57.90 3fg6 h GLN 560 Cb 1.19 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.63 3fg6 h GLN 560 CO 0.62 0.61 -0.02 0.93 -2.65 0.00 0.00 178.83 178.32 3fg6 h GLU 561 N 0.62 0.34 -0.21 1.69 3.07 -2.00 -1.58 114.58 116.51 3fg6 h GLU 561 Ca 0.14 -0.06 -0.15 0.00 -0.50 0.00 0.00 59.36 58.79 3fg6 h GLU 561 Cb 0.28 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 3fg6 h GLU 561 CO 0.00 0.38 -0.49 0.93 -1.40 0.00 0.00 179.01 178.44 3fg6 h GLU 562 N 0.33 0.57 -0.53 2.33 5.08 -1.79 -2.38 114.58 118.19 3fg6 h GLU 562 Ca 0.08 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 58.01 3fg6 h GLU 562 Cb 0.25 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3fg6 h GLU 562 CO 0.01 0.93 -0.04 1.49 -1.00 0.00 0.00 179.01 180.39 3fg6 h GLU 563 N 0.45 0.95 -0.85 2.33 4.81 -1.02 -1.90 114.58 119.35 3fg6 h GLU 563 Ca 0.02 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 3fg6 h GLU 563 Cb 1.02 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.27 3fg6 h GLU 563 CO 0.09 0.96 0.50 0.87 -0.73 0.00 0.00 179.01 180.70 3fg6 h LYS 564 N 0.86 1.16 -0.51 1.92 1.57 -1.16 -1.23 116.57 119.17 3fg6 h LYS 564 Ca 0.15 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3fg6 h LYS 564 Cb 0.57 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3fg6 h LYS 564 CO 0.03 0.82 0.21 0.78 -0.57 0.00 0.00 179.45 180.73 3fg6 h GLY 565 N 1.17 0.81 0.31 3.86 0.00 -1.25 -1.45 103.07 106.51 3fg6 h GLY 565 Ca 0.30 -0.43 0.04 0.00 0.00 0.00 0.00 47.33 47.24 3fg6 h GLY 565 CO -0.05 0.41 -0.27 0.00 0.00 0.00 0.00 176.54 176.62 3fg6 h ALA 566 N 1.06 -0.33 -0.09 3.60 0.00 -1.04 -1.73 119.26 120.74 3fg6 h ALA 566 Ca 0.17 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3fg6 h ALA 566 Cb 0.18 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3fg6 h ALA 566 CO -0.02 -0.76 0.08 0.93 0.00 0.00 0.00 179.25 179.49 3fg6 h GLU 567 N -0.38 0.00 -0.03 0.00 5.08 -1.00 -1.98 114.58 116.27 3fg6 h GLU 567 Ca 0.08 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 3fg6 h GLU 567 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3fg6 h GLU 567 CO -0.28 0.00 -0.25 -0.92 -1.00 0.00 0.00 179.01 176.56 3fg6 h TYR 568 N 0.00 0.31 -0.74 4.33 3.20 -0.43 -3.11 116.97 120.53 3fg6 h TYR 568 Ca 0.04 -0.15 0.02 0.00 3.14 0.00 0.00 58.73 61.78 3fg6 h TYR 568 Cb 0.21 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 3fg6 h TYR 568 CO 0.00 0.90 0.48 0.28 -1.64 0.00 0.00 178.16 178.18 3fg6 h VAL 569 N -0.36 1.15 -0.71 1.81 2.07 -0.89 -2.24 116.25 117.08 3fg6 h VAL 569 Ca -0.02 -0.33 0.15 0.00 0.82 0.00 0.00 66.70 67.32 3fg6 h VAL 569 Cb 0.94 0.10 -0.11 0.00 -1.52 0.00 0.00 31.29 30.70 3fg6 h VAL 569 CO 0.05 0.18 0.10 0.00 0.02 0.00 0.00 177.57 177.91 3fg6 h ALA 570 N 1.30 0.83 -0.00 1.67 0.00 -1.44 0.16 119.26 121.78 3fg6 h ALA 570 Ca 0.29 0.19 -0.13 0.00 0.00 0.00 0.00 54.91 55.26 3fg6 h ALA 570 Cb -0.05 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3fg6 h ALA 570 CO -0.09 -0.37 -0.62 0.66 0.00 0.00 0.00 179.25 178.83 3fg6 h SER 571 N 0.19 0.00 -0.14 0.00 4.64 -1.36 0.12 113.55 117.01 3fg6 h SER 571 Ca 0.39 -0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.54 3fg6 h SER 571 Cb 0.67 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3fg6 h SER 571 CO -0.55 0.62 -0.51 0.58 -0.87 0.00 0.00 176.83 176.10 3fg6 h VAL 572 N 0.00 1.30 -0.00 0.95 2.07 -0.56 -2.93 116.25 117.08 3fg6 h VAL 572 Ca -0.01 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 65.80 3fg6 h VAL 572 Cb 1.09 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 3fg6 h VAL 572 CO 0.08 0.55 -0.05 0.18 0.02 0.00 0.00 177.57 178.35 3fg6 n LEU 573 N -4.00 0.32 -3.66 2.57 4.77 0.41 -4.93 117.00 112.47 3fg6 n LEU 573 Ca -0.03 0.04 -0.25 0.00 -0.03 0.00 0.00 56.01 55.74 3fg6 n LEU 573 Cb 0.59 -0.15 0.04 0.00 -2.33 0.00 0.00 43.42 41.57 3fg6 n LEU 573 CO 0.48 0.06 -0.07 0.29 -1.33 0.00 0.00 177.39 176.81 3fg6 n LYS 574 N -0.96 -3.00 -4.73 3.23 5.02 -0.47 -4.98 118.16 112.26 3fg6 n LYS 574 Ca 0.17 0.57 -0.33 0.00 -2.02 0.00 0.00 58.31 56.70 3fg6 n LYS 574 Cb 0.23 -4.81 -0.16 0.00 -0.02 0.00 0.00 35.03 30.28 3fg6 n LYS 574 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fg6 s LYS 576 N 0.67 3.20 -0.00 0.00 2.20 -1.16 -4.65 119.74 119.99 3fg6 s LYS 576 Ca -0.09 -0.57 -0.03 0.00 -0.36 0.00 0.00 55.97 54.92 3fg6 s LYS 576 Cb -0.16 -4.16 -0.04 0.00 -1.51 0.00 0.00 37.83 31.96 3fg6 s LYS 576 CO 0.02 -1.71 0.19 0.95 -0.36 0.00 0.00 175.35 174.44 3fg6 s THR 577 N 4.15 5.42 -0.14 3.43 -4.23 -1.26 -1.62 115.64 121.39 3fg6 s THR 577 Ca 0.26 -0.15 -0.03 0.00 -1.18 0.00 0.00 61.69 60.60 3fg6 s THR 577 Cb -0.15 -3.55 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 3fg6 s THR 577 CO 0.14 0.32 -0.04 -0.22 -0.54 0.00 0.00 174.62 174.28 3fg6 s LEU 578 N -1.96 3.24 -0.33 4.79 2.96 0.35 -4.93 118.68 122.80 3fg6 s LEU 578 Ca 0.28 -0.11 -0.21 0.00 -0.22 0.00 0.00 54.13 53.87 3fg6 s LEU 578 Cb -0.13 -1.77 -0.00 0.00 0.50 0.00 0.00 46.19 44.79 3fg6 s LEU 578 CO 0.19 0.20 0.66 -0.60 -1.32 0.00 0.00 176.35 175.49 3fg6 s ARG 579 N 0.16 3.82 0.13 1.98 3.52 -1.26 -1.06 118.95 126.23 3fg6 s ARG 579 Ca -0.02 0.25 0.11 0.00 -0.13 0.00 0.00 55.73 55.93 3fg6 s ARG 579 Cb -0.14 -3.76 -0.04 0.00 -1.56 0.00 0.00 34.95 29.45 3fg6 s ARG 579 CO 0.03 -0.67 -0.25 0.96 -0.81 0.00 0.00 175.30 174.56 3fg6 s ILE 580 N 2.73 2.39 0.10 4.11 -4.36 -0.21 -4.97 121.20 120.99 3fg6 s ILE 580 Ca 0.26 -1.72 0.05 0.00 -0.26 0.00 0.00 60.65 58.98 3fg6 s ILE 580 Cb -0.14 -2.07 -0.04 0.00 1.25 0.00 0.00 42.46 41.45 3fg6 s ILE 580 CO 0.13 0.08 0.02 -1.58 0.24 0.00 0.00 174.94 173.84 3fg6 s GLN 581 N -2.11 2.61 0.08 0.37 0.74 -1.26 -1.66 119.66 118.44 3fg6 s GLN 581 Ca 0.15 -0.84 -0.33 0.00 0.05 0.00 0.00 55.36 54.39 3fg6 s GLN 581 Cb -0.10 -2.56 -0.12 0.00 1.10 0.00 0.00 33.01 31.33 3fg6 s GLN 581 CO 0.07 0.53 1.77 -1.91 -0.55 0.00 0.00 175.29 175.20 3fg6 n GLU 582 N 0.42 2.46 0.00 1.67 2.13 -0.83 -0.70 120.64 125.79 3fg6 n GLU 582 Ca -0.10 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.61 3fg6 n GLU 582 Cb 0.52 -2.74 0.00 0.00 0.27 0.00 0.00 31.44 29.49 3fg6 n GLU 582 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3fg6 n GLY 583 N 4.03 3.32 0.81 8.31 0.00 -1.26 -4.86 105.19 115.53 3fg6 n GLY 583 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.24 3fg6 n GLY 583 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fg6 n GLU 584 N -1.45 1.97 -2.07 1.61 4.71 0.13 -5.04 120.64 120.50 3fg6 n GLU 584 Ca 0.00 -3.01 -0.42 0.00 -0.01 0.00 0.00 57.16 53.72 3fg6 n GLU 584 Cb 0.00 -1.74 -0.03 0.00 -1.01 0.00 0.00 31.44 28.67 3fg6 n GLU 584 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 3fg6 s GLU 585 N -3.08 4.29 1.05 3.49 8.01 -1.17 -4.52 118.70 126.78 3fg6 s GLU 585 Ca 0.41 2.23 -0.14 0.00 0.01 0.00 0.00 54.97 57.47 3fg6 s GLU 585 Cb 0.36 -3.15 0.22 0.00 -4.31 0.00 0.00 34.13 27.25 3fg6 s GLU 585 CO 0.02 -0.41 1.11 -1.25 0.01 0.00 0.00 175.26 174.73 3fg6 s PRO 586 N 0.08 -0.01 0.30 0.39 0.04 -1.26 -4.97 135.00 129.56 3fg6 s PRO 586 Ca 0.61 0.27 0.25 0.00 0.04 0.00 0.00 61.00 62.17 3fg6 s PRO 586 Cb -0.40 -1.71 0.54 0.00 0.04 0.00 0.00 34.50 32.97 3fg6 s PRO 586 CO 0.39 -2.98 1.64 1.49 0.04 0.00 0.00 177.00 177.58 3fg6 h GLU 587 N -2.06 0.00 0.00 4.56 4.57 -2.02 -3.21 114.58 116.42 3fg6 h GLU 587 Ca -0.51 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.63 3fg6 h GLU 587 Cb 1.32 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.91 3fg6 h GLU 587 CO 0.51 0.00 -0.16 1.49 -1.18 0.00 0.00 179.01 179.67 3fg6 h GLU 588 N 0.00 0.00 -0.67 1.92 4.81 -1.99 -3.03 114.58 115.62 3fg6 h GLU 588 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3fg6 h GLU 588 Cb 0.86 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 3fg6 h GLU 588 CO 0.00 0.16 0.32 0.35 -0.73 0.00 0.00 179.01 179.10 3fg6 h PHE 589 N 0.00 0.97 -0.18 0.92 3.04 -1.94 -2.10 116.94 117.65 3fg6 h PHE 589 Ca -0.00 -0.05 -0.17 0.00 3.98 0.00 0.00 57.97 61.73 3fg6 h PHE 589 Cb 1.02 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 39.22 3fg6 h PHE 589 CO 0.00 0.73 -0.57 -1.49 -2.02 0.00 0.00 178.31 174.96 3fg6 h TRP 590 N 0.93 0.71 -0.44 0.41 -0.00 -1.70 -3.00 115.95 112.86 3fg6 h TRP 590 Ca 0.23 -0.26 -0.02 0.00 -0.00 0.00 0.00 58.89 58.84 3fg6 h TRP 590 Cb 0.13 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.16 29.13 3fg6 h TRP 590 CO 0.00 1.00 0.18 -0.91 -0.00 0.00 0.00 178.44 178.71 3fg6 h ASN 591 N 0.43 0.56 1.40 -3.49 4.21 -1.39 0.36 115.58 117.65 3fg6 h ASN 591 Ca 0.00 -0.06 -0.07 0.00 1.21 0.00 0.00 56.30 57.38 3fg6 h ASN 591 Cb 1.12 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 38.17 3fg6 h ASN 591 CO 0.11 0.51 -0.35 0.28 -1.29 0.00 0.00 177.43 176.68 3fg6 h SER 592 N 0.62 0.00 0.03 5.81 0.02 -1.30 -2.60 113.55 116.14 3fg6 h SER 592 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3fg6 h SER 592 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 3fg6 h SER 592 CO -0.02 0.35 -0.04 0.18 -1.14 0.00 0.00 176.83 176.17 3fg6 n LEU 593 N -3.26 1.24 -0.90 5.07 4.77 -1.03 -4.94 117.00 117.95 3fg6 n LEU 593 Ca 0.02 -0.40 -0.02 0.00 -0.03 0.00 0.00 56.01 55.58 3fg6 n LEU 593 Cb 0.62 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.69 3fg6 n LEU 593 CO 0.38 0.21 0.02 0.61 -1.33 0.00 0.00 177.39 177.28 3fg6 n GLY 594 N 1.18 0.72 0.00 -0.72 0.00 -0.90 -4.04 105.19 101.44 3fg6 n GLY 594 Ca 0.19 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3fg6 n GLY 594 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg6 n GLY 595 N -0.72 2.50 3.65 -0.02 0.00 0.12 -4.95 105.19 105.76 3fg6 n GLY 595 Ca -0.00 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 3fg6 n GLY 595 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fg6 s LYS 596 N -4.05 4.17 0.23 1.61 2.20 -1.26 -4.45 119.74 118.18 3fg6 s LYS 596 Ca 0.00 1.11 0.00 0.00 -0.36 0.00 0.00 55.97 56.72 3fg6 s LYS 596 Cb 0.00 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 3fg6 s LYS 596 CO 0.00 -0.67 0.02 1.63 -0.36 0.00 0.00 175.35 175.97 3fg6 n LYS 597 N 6.36 1.42 -3.32 4.03 5.02 -1.26 -5.09 118.16 125.32 3fg6 n LYS 597 Ca 0.10 -1.63 -0.39 0.00 -2.02 0.00 0.00 58.31 54.37 3fg6 n LYS 597 Cb 0.47 0.41 -0.08 0.00 -0.02 0.00 0.00 35.03 35.81 3fg6 n LYS 597 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fg6 s ASP 598 N -2.26 6.38 0.54 4.39 -0.00 -1.26 -4.80 116.67 119.65 3fg6 s ASP 598 Ca 0.01 0.45 0.09 0.00 -0.00 0.00 0.00 52.55 53.10 3fg6 s ASP 598 Cb -0.00 -2.25 0.07 0.00 -0.00 0.00 0.00 42.92 40.74 3fg6 s ASP 598 CO 0.01 -0.20 0.73 -0.72 -0.00 0.00 0.00 175.17 174.99 3fg6 s TYR 599 N 1.98 1.76 -0.54 4.23 -0.85 -1.26 -4.43 117.35 118.23 3fg6 s TYR 599 Ca 0.19 -0.65 -0.27 0.00 -0.52 0.00 0.00 57.07 55.82 3fg6 s TYR 599 Cb -0.15 -2.25 -0.03 0.00 0.38 0.00 0.00 41.96 39.91 3fg6 s TYR 599 CO 0.09 -0.96 1.96 -0.65 -1.52 0.00 0.00 175.55 174.47 3fg6 s GLN 600 N -4.58 2.63 0.01 -3.49 -0.21 -0.68 -4.89 119.66 108.44 3fg6 s GLN 600 Ca 0.60 0.90 -0.09 0.00 0.02 0.00 0.00 55.36 56.78 3fg6 s GLN 600 Cb -0.07 -4.40 0.01 0.00 1.00 0.00 0.00 33.01 29.55 3fg6 s GLN 600 CO 0.37 -2.71 0.18 -0.08 -2.12 0.00 0.00 175.29 170.93 3fg6 s THR 601 N 9.39 0.09 -0.07 -0.19 -1.32 -1.26 -2.00 115.64 120.27 3fg6 s THR 601 Ca 0.75 -0.74 -0.31 0.00 -1.21 0.00 0.00 61.69 60.18 3fg6 s THR 601 Cb -0.15 -0.64 0.12 0.00 -1.51 0.00 0.00 72.50 70.32 3fg6 s THR 601 CO 0.24 -0.41 1.00 -0.94 -2.21 0.00 0.00 174.62 172.30 3fg6 s SER 602 N -1.64 -0.28 0.31 8.08 1.04 -1.26 -4.40 113.70 115.55 3fg6 s SER 602 Ca -0.11 0.00 0.03 0.00 0.48 0.00 0.00 55.95 56.35 3fg6 s SER 602 Cb -0.05 0.30 0.80 0.00 0.10 0.00 0.00 66.02 67.17 3fg6 s SER 602 CO 0.00 -0.48 1.57 -0.65 0.98 0.00 0.00 173.24 174.66 3fg6 h PRO 603 N 2.00 0.01 0.00 4.02 0.11 -2.01 0.44 132.00 136.58 3fg6 h PRO 603 Ca -0.17 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3fg6 h PRO 603 Cb 1.21 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3fg6 h PRO 603 CO 0.28 0.01 -0.99 -0.11 -0.21 0.00 0.00 178.00 176.97 3fg6 n LEU 604 N -5.47 0.72 0.04 2.35 7.94 -1.26 -3.33 117.00 117.98 3fg6 n LEU 604 Ca 0.24 0.22 -0.09 0.00 -1.11 0.00 0.00 56.01 55.27 3fg6 n LEU 604 Cb 0.80 -0.09 0.06 0.00 0.53 0.00 0.00 43.42 44.71 3fg6 n LEU 604 CO -0.06 -0.10 0.42 -0.07 -1.11 0.00 0.00 177.39 176.47 3fg6 h LEU 605 N 0.00 0.50 -1.42 -1.96 3.38 -1.59 -3.09 115.31 111.13 3fg6 h LEU 605 Ca 0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3fg6 h LEU 605 Cb 0.89 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3fg6 h LEU 605 CO 0.00 1.01 0.00 -0.33 0.09 0.00 0.00 178.44 179.21 3fg6 h GLU 606 N 0.32 0.00 -5.58 1.13 5.08 -0.19 -2.75 114.58 112.60 3fg6 h GLU 606 Ca -0.01 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.70 3fg6 h GLU 606 Cb 1.18 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.33 3fg6 h GLU 606 CO 0.11 0.00 -0.52 0.95 -1.00 0.00 0.00 179.01 178.55 3fg6 s THR 607 N -3.58 5.16 -0.67 1.13 -4.23 -1.17 -2.20 115.64 110.09 3fg6 s THR 607 Ca 0.00 0.09 -0.21 0.00 -1.18 0.00 0.00 61.69 60.39 3fg6 s THR 607 Cb 0.09 -3.27 0.08 0.00 1.34 0.00 0.00 72.50 70.75 3fg6 s THR 607 CO 0.37 0.56 0.92 -1.58 -0.54 0.00 0.00 174.62 174.35 3fg6 s GLN 608 N -0.55 3.14 -0.26 3.99 2.00 -1.25 -4.63 119.66 122.09 3fg6 s GLN 608 Ca 0.12 -1.04 -0.26 0.00 -2.00 0.00 0.00 55.36 52.17 3fg6 s GLN 608 Cb -0.12 -4.30 0.15 0.00 0.80 0.00 0.00 33.01 29.54 3fg6 s GLN 608 CO 0.02 -1.75 1.16 0.00 -0.50 0.00 0.00 175.29 174.23 3fg6 s ALA 609 N 3.60 -2.04 -0.06 1.58 0.00 -1.26 -5.05 121.76 118.53 3fg6 s ALA 609 Ca 0.20 1.77 0.22 0.00 0.00 0.00 0.00 51.96 54.15 3fg6 s ALA 609 Cb -0.18 -1.39 0.43 0.00 0.00 0.00 0.00 23.12 21.99 3fg6 s ALA 609 CO 0.07 -0.22 1.18 0.39 0.00 0.00 0.00 175.76 177.19 3fg6 n GLU 610 N 1.59 0.46 -0.33 0.00 -0.58 -1.26 -4.89 120.64 115.63 3fg6 n GLU 610 Ca -0.10 -2.38 0.07 0.00 -0.42 0.00 0.00 57.16 54.33 3fg6 n GLU 610 Cb 0.57 -0.45 0.24 0.00 -0.57 0.00 0.00 31.44 31.22 3fg6 n GLU 610 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 3fg6 h ASP 611 N 1.08 0.76 -2.97 1.62 3.32 -2.02 -3.27 116.42 114.94 3fg6 h ASP 611 Ca -0.17 0.07 -0.58 0.00 0.02 0.00 0.00 57.03 56.37 3fg6 h ASP 611 Cb 1.67 -0.08 -0.40 0.00 0.22 0.00 0.00 39.33 40.75 3fg6 h ASP 611 CO 0.09 0.37 -0.79 -1.00 -1.72 0.00 0.00 179.24 176.19 3fg6 s HIS 612 N -5.96 1.15 0.47 4.55 3.76 -1.26 -5.13 115.29 112.87 3fg6 s HIS 612 Ca -0.12 -1.69 -0.23 0.00 -0.15 0.00 0.00 55.06 52.87 3fg6 s HIS 612 Cb 0.22 -1.32 -0.07 0.00 1.11 0.00 0.00 32.58 32.52 3fg6 s HIS 612 CO 0.80 -0.83 1.17 -1.25 -0.85 0.00 0.00 174.74 173.78 3fg6 s PRO 613 N 1.22 3.71 0.44 8.40 0.04 -1.24 -4.74 135.00 142.84 3fg6 s PRO 613 Ca 0.14 1.78 -0.26 0.00 0.04 0.00 0.00 61.00 62.71 3fg6 s PRO 613 Cb -0.21 -2.38 -0.09 0.00 0.04 0.00 0.00 34.50 31.86 3fg6 s PRO 613 CO -0.12 -0.59 1.43 -0.35 0.04 0.00 0.00 177.00 177.41 3fg6 n PRO 614 N -0.55 2.31 -4.77 0.56 -0.04 -1.26 -4.95 135.00 126.31 3fg6 n PRO 614 Ca 0.08 0.82 -0.26 0.00 -0.04 0.00 0.00 63.50 64.10 3fg6 n PRO 614 Cb 0.48 -2.62 -0.16 0.00 -0.04 0.00 0.00 33.50 31.15 3fg6 n PRO 614 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3fg6 s ARG 615 N -2.38 1.84 -0.11 0.54 0.52 -0.90 -5.01 118.95 113.46 3fg6 s ARG 615 Ca 0.60 -0.55 0.00 0.00 -0.52 0.00 0.00 55.73 55.26 3fg6 s ARG 615 Cb -0.46 -1.54 -0.02 0.00 0.52 0.00 0.00 34.95 33.45 3fg6 s ARG 615 CO 0.59 0.16 -0.12 -1.17 0.02 0.00 0.00 175.30 174.77 3fg6 s LEU 616 N 0.29 2.80 0.05 2.53 2.96 -1.26 -0.86 118.68 125.19 3fg6 s LEU 616 Ca -0.09 -0.26 0.09 0.00 -0.22 0.00 0.00 54.13 53.65 3fg6 s LEU 616 Cb -0.13 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 3fg6 s LEU 616 CO 0.03 0.21 -0.25 -0.31 -1.32 0.00 0.00 176.35 174.72 3fg6 s TYR 617 N 0.06 2.15 -0.33 5.38 1.51 0.13 -0.90 117.35 125.34 3fg6 s TYR 617 Ca -0.04 -0.40 -0.12 0.00 -1.01 0.00 0.00 57.07 55.50 3fg6 s TYR 617 Cb -0.14 -1.27 -0.01 0.00 -0.11 0.00 0.00 41.96 40.42 3fg6 s TYR 617 CO 0.04 0.13 0.21 0.20 -1.11 0.00 0.00 175.55 175.02 3fg6 s GLY 618 N -1.29 1.93 -0.27 0.71 0.00 0.54 -1.08 107.32 107.85 3fg6 s GLY 618 Ca 0.10 -1.42 -0.08 0.00 0.00 0.00 0.00 44.72 43.33 3fg6 s GLY 618 CO 0.02 0.75 0.09 0.00 0.00 0.00 0.00 173.10 173.97 3fg6 s SER 620 N 1.60 0.28 -0.05 0.00 0.15 -1.01 -1.67 113.70 112.99 3fg6 s SER 620 Ca 0.05 -0.98 0.12 0.00 0.70 0.00 0.00 55.95 55.85 3fg6 s SER 620 Cb -0.16 0.30 0.23 0.00 -1.71 0.00 0.00 66.02 64.69 3fg6 s SER 620 CO 0.04 -0.72 1.11 -0.46 1.20 0.00 0.00 173.24 174.40 3fg6 n ASN 621 N -0.05 0.96 0.30 5.45 2.04 -1.26 -0.89 115.26 121.81 3fg6 n ASN 621 Ca -0.10 -2.46 0.19 0.00 -0.44 0.00 0.00 54.58 51.77 3fg6 n ASN 621 Cb 0.63 -0.32 0.91 0.00 -2.53 0.00 0.00 39.78 38.47 3fg6 n ASN 621 CO 0.00 0.00 0.00 0.07 -0.44 0.00 0.00 177.26 176.89 3fg6 h LYS 622 N 0.42 0.00 -0.35 -3.83 2.10 -1.97 -1.78 116.57 111.15 3fg6 h LYS 622 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 3fg6 h LYS 622 Cb 1.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.74 3fg6 h LYS 622 CO 0.03 0.01 0.00 0.25 -2.00 0.00 0.00 179.45 177.74 3fg6 n THR 623 N -3.11 0.47 0.00 0.07 -2.24 -1.26 -4.97 114.28 103.24 3fg6 n THR 623 Ca -0.01 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3fg6 n THR 623 Cb 0.21 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 3fg6 n THR 623 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fg6 n GLY 624 N 1.11 2.13 3.81 3.38 0.00 -0.67 -4.99 105.19 109.96 3fg6 n GLY 624 Ca 0.13 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 3fg6 n GLY 624 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fg6 s ARG 625 N 0.00 3.64 -0.43 1.61 1.81 -1.26 -4.93 118.95 119.39 3fg6 s ARG 625 Ca 0.00 1.23 -0.26 0.00 -1.72 0.00 0.00 55.73 54.98 3fg6 s ARG 625 Cb 0.00 -2.08 0.02 0.00 -0.45 0.00 0.00 34.95 32.44 3fg6 s ARG 625 CO 0.00 -0.55 0.95 0.12 -0.68 0.00 0.00 175.30 175.15 3fg6 s PHE 626 N -2.28 2.97 -0.09 -0.53 5.36 -1.26 -4.36 117.98 117.80 3fg6 s PHE 626 Ca 0.64 0.58 0.04 0.00 -0.96 0.00 0.00 56.93 57.24 3fg6 s PHE 626 Cb -0.15 -3.90 -0.01 0.00 -0.34 0.00 0.00 43.02 38.62 3fg6 s PHE 626 CO 0.28 -1.01 -0.23 0.14 -1.46 0.00 0.00 175.22 172.94 3fg6 s VAL 627 N 3.74 2.18 -0.24 3.12 -7.23 -0.07 -4.99 120.40 116.91 3fg6 s VAL 627 Ca 0.39 -0.99 -0.10 0.00 -1.81 0.00 0.00 61.98 59.47 3fg6 s VAL 627 Cb -0.10 -1.83 -0.05 0.00 0.56 0.00 0.00 36.38 34.96 3fg6 s VAL 627 CO 0.24 0.56 0.14 -0.63 -0.31 0.00 0.00 175.10 175.10 3fg6 s ILE 628 N 0.15 5.11 0.01 -0.62 1.01 -1.26 -2.42 121.20 123.18 3fg6 s ILE 628 Ca -0.12 0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.66 3fg6 s ILE 628 Cb -0.16 -3.39 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 3fg6 s ILE 628 CO 0.07 0.34 -0.12 -1.83 0.00 0.00 0.00 174.94 173.39 3fg6 s GLU 629 N 1.22 0.92 0.27 2.79 -1.05 -0.78 -4.99 118.70 117.08 3fg6 s GLU 629 Ca 0.07 -0.58 -0.29 0.00 -0.15 0.00 0.00 54.97 54.02 3fg6 s GLU 629 Cb -0.14 -0.89 -0.09 0.00 -0.44 0.00 0.00 34.13 32.56 3fg6 s GLU 629 CO 0.05 0.23 0.97 -2.00 0.95 0.00 0.00 175.26 175.46 3fg6 s GLU 630 N -0.72 4.73 -0.17 -4.83 2.12 -1.26 -0.34 118.70 118.23 3fg6 s GLU 630 Ca 0.02 1.49 -0.29 0.00 0.36 0.00 0.00 54.97 56.55 3fg6 s GLU 630 Cb -0.06 -3.11 -0.00 0.00 0.26 0.00 0.00 34.13 31.21 3fg6 s GLU 630 CO 0.00 0.39 1.09 0.42 -0.54 0.00 0.00 175.26 176.63 3fg6 s ILE 631 N -1.31 4.59 0.31 -3.70 -1.09 -0.08 -4.87 121.20 115.05 3fg6 s ILE 631 Ca 0.44 1.90 -0.19 0.00 -2.23 0.00 0.00 60.65 60.57 3fg6 s ILE 631 Cb -0.25 -4.22 -0.09 0.00 -1.58 0.00 0.00 42.46 36.32 3fg6 s ILE 631 CO 0.31 -0.11 0.80 -2.16 -1.23 0.00 0.00 174.94 172.55 3fg6 s PRO 632 N 2.89 4.21 3.44 2.79 0.04 -1.26 -4.74 135.00 142.37 3fg6 s PRO 632 Ca 0.48 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.44 3fg6 s PRO 632 Cb -0.18 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.77 3fg6 s PRO 632 CO 0.12 0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.79 3fg6 n GLY 633 N 0.08 0.09 3.76 0.56 0.00 -1.26 -4.72 105.19 103.70 3fg6 n GLY 633 Ca 0.02 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.67 3fg6 n GLY 633 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fg6 s GLU 634 N 0.00 4.62 0.20 1.61 0.41 -1.26 -5.05 118.70 119.22 3fg6 s GLU 634 Ca 0.00 1.82 0.09 0.00 -0.41 0.00 0.00 54.97 56.48 3fg6 s GLU 634 Cb 0.00 -3.17 -0.04 0.00 -1.78 0.00 0.00 34.13 29.13 3fg6 s GLU 634 CO 0.00 0.18 -0.10 -0.59 -0.49 0.00 0.00 175.26 174.27 3fg6 s PHE 635 N -1.17 2.60 0.33 1.61 -0.12 -1.26 -4.80 117.98 115.17 3fg6 s PHE 635 Ca 0.45 -0.24 0.08 0.00 -0.05 0.00 0.00 56.93 57.17 3fg6 s PHE 635 Cb -0.32 -1.25 -0.03 0.00 -0.63 0.00 0.00 43.02 40.79 3fg6 s PHE 635 CO 0.42 0.54 0.28 0.25 -0.05 0.00 0.00 175.22 176.65 3fg6 n THR 636 N -0.10 0.00 -0.30 -4.49 -2.24 -1.26 -4.81 114.28 101.08 3fg6 n THR 636 Ca -0.10 -2.39 0.09 0.00 -2.27 0.00 0.00 64.05 59.38 3fg6 n THR 636 Cb 0.56 1.20 0.25 0.00 -2.10 0.00 0.00 70.33 70.24 3fg6 n THR 636 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3fg6 h GLN 637 N 0.00 0.58 0.00 -0.78 4.15 -1.95 -1.27 115.11 115.83 3fg6 h GLN 637 Ca -0.23 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.16 3fg6 h GLN 637 Cb 1.18 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.74 3fg6 h GLN 637 CO 0.34 0.38 0.00 -0.25 -1.93 0.00 0.00 178.83 177.37 3fg6 n ASP 638 N -4.89 0.00 0.20 -0.69 9.92 -1.26 -1.97 116.55 117.85 3fg6 n ASP 638 Ca 0.19 0.41 0.13 0.00 -0.53 0.00 0.00 54.79 54.99 3fg6 n ASP 638 Cb 0.49 -0.46 0.36 0.00 -0.64 0.00 0.00 41.12 40.87 3fg6 n ASP 638 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3fg6 h ASP 639 N 0.00 0.00 -2.39 -2.24 3.32 -1.64 -3.42 116.42 110.05 3fg6 h ASP 639 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3fg6 h ASP 639 Cb 0.27 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 3fg6 h ASP 639 CO 0.00 0.00 1.25 -0.76 -1.72 0.00 0.00 179.24 178.01 3fg6 s LEU 640 N -5.68 3.37 -0.40 1.55 1.43 -0.83 -4.92 118.68 113.19 3fg6 s LEU 640 Ca 0.06 0.50 -0.28 0.00 -1.03 0.00 0.00 54.13 53.39 3fg6 s LEU 640 Cb 0.08 -2.89 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 3fg6 s LEU 640 CO 0.60 -2.02 1.97 0.00 0.23 0.00 0.00 176.35 177.13 3fg6 s ALA 641 N 7.63 2.49 0.54 4.21 0.00 -1.26 -4.84 121.76 130.53 3fg6 s ALA 641 Ca 0.64 0.09 0.36 0.00 0.00 0.00 0.00 51.96 53.05 3fg6 s ALA 641 Cb -0.14 -4.14 1.53 0.00 0.00 0.00 0.00 23.12 20.37 3fg6 s ALA 641 CO 0.24 -3.23 1.81 1.49 0.00 0.00 0.00 175.76 176.07 3fg6 h GLU 642 N 14.72 0.02 -0.46 0.00 4.81 -1.93 -0.94 114.58 130.79 3fg6 h GLU 642 Ca -0.32 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3fg6 h GLU 642 Cb 1.19 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3fg6 h GLU 642 CO 1.08 0.01 0.00 -0.40 -0.73 0.00 0.00 179.01 178.97 3fg6 n ASP 643 N -4.21 4.40 -0.81 1.04 5.75 -1.26 -2.68 116.55 118.79 3fg6 n ASP 643 Ca 0.25 -2.66 0.00 0.00 -0.01 0.00 0.00 54.79 52.37 3fg6 n ASP 643 Cb 1.21 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 3fg6 n ASP 643 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3fg6 n ASP 644 N 0.41 0.04 -4.46 -1.12 10.43 -0.36 -3.86 116.55 117.63 3fg6 n ASP 644 Ca 0.23 -0.79 -0.33 0.00 2.57 0.00 0.00 54.79 56.47 3fg6 n ASP 644 Cb 0.88 0.00 -0.13 0.00 1.84 0.00 0.00 41.12 43.71 3fg6 n ASP 644 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3fg6 s VAL 645 N -1.77 3.05 -0.11 2.53 1.01 -0.67 -1.81 120.40 122.64 3fg6 s VAL 645 Ca 0.00 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.28 3fg6 s VAL 645 Cb 0.00 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 3fg6 s VAL 645 CO 0.00 0.58 -0.18 -0.04 0.00 0.00 0.00 175.10 175.46 3fg6 s MET 646 N -0.57 3.16 -0.26 2.72 1.00 0.17 0.03 119.30 125.55 3fg6 s MET 646 Ca 0.08 -0.77 -0.11 0.00 0.00 0.00 0.00 55.69 54.89 3fg6 s MET 646 Cb -0.11 -2.46 -0.05 0.00 0.00 0.00 0.00 34.83 32.21 3fg6 s MET 646 CO 0.01 0.23 0.17 -0.51 0.00 0.00 0.00 175.02 174.92 3fg6 s LEU 647 N 0.26 4.00 -0.34 -0.03 1.43 -0.24 0.17 118.68 123.92 3fg6 s LEU 647 Ca -0.13 0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 52.98 3fg6 s LEU 647 Cb -0.16 -2.10 0.08 0.00 0.03 0.00 0.00 46.19 44.04 3fg6 s LEU 647 CO 0.07 -0.01 0.07 -0.22 0.23 0.00 0.00 176.35 176.48 3fg6 s LEU 648 N 1.52 4.46 -0.70 1.79 2.96 -0.08 0.21 118.68 128.85 3fg6 s LEU 648 Ca 0.07 -1.68 -0.24 0.00 -0.22 0.00 0.00 54.13 52.06 3fg6 s LEU 648 Cb -0.15 -1.73 0.05 0.00 0.50 0.00 0.00 46.19 44.86 3fg6 s LEU 648 CO 0.08 -0.37 1.11 -0.62 -1.32 0.00 0.00 176.35 175.24 3fg6 s ASP 649 N 1.38 6.18 -0.09 3.68 2.15 -0.04 -0.94 116.67 128.99 3fg6 s ASP 649 Ca 0.02 -0.79 0.10 0.00 0.43 0.00 0.00 52.55 52.31 3fg6 s ASP 649 Cb -0.21 -2.48 0.46 0.00 -0.30 0.00 0.00 42.92 40.39 3fg6 s ASP 649 CO -0.03 -1.61 1.28 0.00 -0.17 0.00 0.00 175.17 174.64 3fg6 n ALA 650 N 8.43 3.01 0.00 3.66 0.00 0.23 -2.11 120.51 133.73 3fg6 n ALA 650 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.42 3fg6 n ALA 650 Cb 0.47 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.88 3fg6 n ALA 650 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3fg6 n TRP 651 N 0.54 0.00 0.62 0.00 -0.00 -1.26 -3.98 117.44 113.35 3fg6 n TRP 651 Ca 0.16 0.00 0.10 0.00 -0.00 0.00 0.00 57.50 57.76 3fg6 n TRP 651 Cb 0.66 0.00 0.42 0.00 -0.00 0.00 0.00 31.31 32.39 3fg6 n TRP 651 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 177.69 176.84 3fg6 n GLU 652 N 0.00 0.04 -3.60 5.87 0.28 -1.26 -4.83 120.64 117.15 3fg6 n GLU 652 Ca 0.00 0.21 -0.12 0.00 -0.16 0.00 0.00 57.16 57.08 3fg6 n GLU 652 Cb 0.00 -1.57 -0.06 0.00 1.43 0.00 0.00 31.44 31.24 3fg6 n GLU 652 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 3fg6 s GLN 653 N -3.05 0.72 -0.18 3.44 0.74 -1.26 -4.33 119.66 115.75 3fg6 s GLN 653 Ca 0.09 0.52 0.00 0.00 0.05 0.00 0.00 55.36 56.01 3fg6 s GLN 653 Cb 0.12 0.34 0.01 0.00 1.10 0.00 0.00 33.01 34.58 3fg6 s GLN 653 CO 0.37 -0.15 -0.16 0.42 -0.55 0.00 0.00 175.29 175.21 3fg6 s ILE 654 N -0.34 2.43 -0.15 -2.34 1.01 -0.74 -0.60 121.20 120.47 3fg6 s ILE 654 Ca -0.02 -0.83 -0.08 0.00 0.00 0.00 0.00 60.65 59.73 3fg6 s ILE 654 Cb -0.03 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 3fg6 s ILE 654 CO 0.01 0.51 0.14 -0.36 0.00 0.00 0.00 174.94 175.24 3fg6 s PHE 655 N 1.17 3.53 -0.33 3.97 0.08 -0.11 -0.86 117.98 125.41 3fg6 s PHE 655 Ca 0.02 0.45 -0.02 0.00 0.12 0.00 0.00 56.93 57.50 3fg6 s PHE 655 Cb -0.14 -2.03 0.07 0.00 -0.57 0.00 0.00 43.02 40.35 3fg6 s PHE 655 CO -0.07 0.57 0.06 0.42 -0.10 0.00 0.00 175.22 176.10 3fg6 s ILE 656 N -0.49 3.04 -0.31 0.64 1.01 -0.47 -0.90 121.20 123.71 3fg6 s ILE 656 Ca 0.12 -1.64 -0.18 0.00 0.00 0.00 0.00 60.65 58.95 3fg6 s ILE 656 Cb -0.12 -2.88 -0.01 0.00 0.01 0.00 0.00 42.46 39.47 3fg6 s ILE 656 CO 0.02 -0.31 0.53 0.86 0.00 0.00 0.00 174.94 176.04 3fg6 s TRP 657 N 1.20 3.21 -0.31 3.97 -0.00 0.13 -0.10 118.94 127.03 3fg6 s TRP 657 Ca -0.00 0.40 -0.13 0.00 -0.00 0.00 0.00 56.10 56.37 3fg6 s TRP 657 Cb -0.21 -2.88 -0.03 0.00 -0.00 0.00 0.00 33.47 30.36 3fg6 s TRP 657 CO -0.02 -0.45 0.25 0.42 -0.00 0.00 0.00 176.95 177.15 3fg6 s ILE 658 N 2.41 5.27 0.58 5.86 1.01 0.88 -0.66 121.20 136.55 3fg6 s ILE 658 Ca 0.21 0.03 -0.17 0.00 0.00 0.00 0.00 60.65 60.71 3fg6 s ILE 658 Cb -0.15 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 3fg6 s ILE 658 CO 0.12 0.09 1.09 -0.83 0.00 0.00 0.00 174.94 175.41 3fg6 s GLY 659 N 1.73 2.35 0.00 6.18 0.00 -0.75 -2.04 107.32 114.79 3fg6 s GLY 659 Ca 0.08 0.59 0.00 0.00 0.00 0.00 0.00 44.72 45.39 3fg6 s GLY 659 CO 0.11 0.93 0.83 0.58 0.00 0.00 0.00 173.10 175.55 3fg6 n LYS 660 N -1.73 0.00 -0.36 2.90 2.85 -1.09 -2.45 118.16 118.27 3fg6 n LYS 660 Ca 0.10 0.34 0.04 0.00 -1.05 0.00 0.00 58.31 57.74 3fg6 n LYS 660 Cb 0.52 -1.54 0.06 0.00 -0.65 0.00 0.00 35.03 33.42 3fg6 n LYS 660 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3fg6 n ASP 661 N -1.33 0.95 -4.81 -5.58 8.00 -1.18 -5.06 116.55 107.55 3fg6 n ASP 661 Ca 0.00 -2.45 -0.33 0.00 0.71 0.00 0.00 54.79 52.72 3fg6 n ASP 661 Cb 0.04 -0.30 -0.06 0.00 -0.02 0.00 0.00 41.12 40.78 3fg6 n ASP 661 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fg6 s ALA 662 N -1.16 3.01 0.83 2.24 0.00 -1.03 -4.59 121.76 121.07 3fg6 s ALA 662 Ca 0.14 0.45 -0.12 0.00 0.00 0.00 0.00 51.96 52.43 3fg6 s ALA 662 Cb 0.12 -3.17 0.10 0.00 0.00 0.00 0.00 23.12 20.17 3fg6 s ALA 662 CO 0.01 0.04 1.17 -0.80 0.00 0.00 0.00 175.76 176.17 3fg6 s ASN 663 N -2.11 3.50 0.28 0.00 -0.87 -1.26 -4.95 114.94 109.53 3fg6 s ASN 663 Ca 0.63 2.24 0.08 0.00 -1.57 0.00 0.00 52.86 54.23 3fg6 s ASN 663 Cb -0.11 -2.57 0.41 0.00 -0.02 0.00 0.00 41.25 38.95 3fg6 s ASN 663 CO 0.15 -2.72 1.65 -0.33 -2.57 0.00 0.00 177.10 173.28 3fg6 h GLU 664 N -1.23 0.13 -0.38 -0.60 4.39 -2.00 -2.88 114.58 112.02 3fg6 h GLU 664 Ca -0.45 -0.08 -0.16 0.00 0.34 0.00 0.00 59.36 59.01 3fg6 h GLU 664 Cb 1.28 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 3fg6 h GLU 664 CO 0.45 0.62 -0.39 -0.39 -1.16 0.00 0.00 179.01 178.15 3fg6 h VAL 665 N 0.11 1.27 -0.61 3.13 -1.51 -1.98 -2.00 116.25 114.65 3fg6 h VAL 665 Ca 0.00 -1.56 0.07 0.00 -1.23 0.00 0.00 66.70 63.98 3fg6 h VAL 665 Cb 0.96 1.39 -0.06 0.00 -2.13 0.00 0.00 31.29 31.45 3fg6 h VAL 665 CO 0.07 0.52 0.30 -0.33 -1.23 0.00 0.00 177.57 176.90 3fg6 h GLU 666 N 0.75 0.53 0.35 5.19 5.08 -1.93 0.25 114.58 124.80 3fg6 h GLU 666 Ca 0.06 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3fg6 h GLU 666 Cb 0.98 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3fg6 h GLU 666 CO 0.10 0.35 -0.17 0.87 -1.00 0.00 0.00 179.01 179.15 3fg6 h LYS 667 N 0.54 -0.45 0.00 2.33 1.57 -1.36 -2.40 116.57 116.80 3fg6 h LYS 667 Ca 0.29 0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.95 3fg6 h LYS 667 Cb 0.26 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3fg6 h LYS 667 CO -0.22 -0.27 -0.71 0.87 -0.57 0.00 0.00 179.45 178.54 3fg6 h LYS 668 N -0.51 0.00 -0.03 3.15 6.56 -1.13 -2.43 116.57 122.17 3fg6 h LYS 668 Ca -0.05 0.00 -0.17 0.00 -1.06 0.00 0.00 60.65 59.37 3fg6 h LYS 668 Cb 0.39 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.04 3fg6 h LYS 668 CO 0.08 0.71 -0.74 0.93 -2.06 0.00 0.00 179.45 178.36 3fg6 h GLU 669 N 0.00 0.23 -0.16 3.15 4.39 -0.56 -2.40 114.58 119.23 3fg6 h GLU 669 Ca -0.01 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.42 3fg6 h GLU 669 Cb 1.49 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 30.18 3fg6 h GLU 669 CO 0.09 0.87 -0.20 0.66 -1.16 0.00 0.00 179.01 179.27 3fg6 h SER 670 N 0.15 0.45 -0.84 1.42 4.64 -1.34 -2.56 113.55 115.47 3fg6 h SER 670 Ca -0.03 -0.50 0.18 0.00 -0.47 0.00 0.00 61.79 60.98 3fg6 h SER 670 Cb 1.31 -0.13 -0.11 0.00 -0.31 0.00 0.00 62.40 63.16 3fg6 h SER 670 CO 0.11 0.86 0.35 0.25 -0.87 0.00 0.00 176.83 177.54 3fg6 h LEU 671 N 0.05 0.30 -0.99 5.97 6.46 -1.45 0.45 115.31 126.09 3fg6 h LEU 671 Ca 0.02 0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 3fg6 h LEU 671 Cb 0.75 0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.76 3fg6 h LEU 671 CO 0.05 0.05 0.47 0.50 -0.62 0.00 0.00 178.44 178.89 3fg6 h LYS 672 N 0.43 1.18 0.00 1.25 3.64 -1.32 -1.35 116.57 120.40 3fg6 h LYS 672 Ca 0.49 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.66 3fg6 h LYS 672 Cb 0.85 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 3fg6 h LYS 672 CO -0.48 0.85 -0.39 0.77 -2.27 0.00 0.00 179.45 177.93 3fg6 h SER 673 N 1.18 0.00 -0.10 4.20 0.02 -0.58 -2.15 113.55 116.12 3fg6 h SER 673 Ca 0.30 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.07 3fg6 h SER 673 Cb 0.01 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 3fg6 h SER 673 CO -0.05 0.39 -0.58 0.00 -1.14 0.00 0.00 176.83 175.45 3fg6 h ALA 674 N 1.61 0.56 -0.18 3.77 0.00 0.37 -2.08 119.26 123.30 3fg6 h ALA 674 Ca -0.00 -0.53 -0.16 0.00 0.00 0.00 0.00 54.91 54.22 3fg6 h ALA 674 Cb 1.29 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3fg6 h ALA 674 CO 0.05 0.69 -0.55 0.87 0.00 0.00 0.00 179.25 180.31 3fg6 h LYS 675 N 0.53 0.53 -0.59 0.00 1.57 -1.19 -3.05 116.57 114.36 3fg6 h LYS 675 Ca 0.00 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3fg6 h LYS 675 Cb 1.17 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 3fg6 h LYS 675 CO 0.12 0.94 0.38 0.52 -0.57 0.00 0.00 179.45 180.84 3fg6 h MET 676 N 0.41 0.79 -0.28 3.15 2.86 -1.36 -2.97 114.93 117.52 3fg6 h MET 676 Ca 0.01 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 3fg6 h MET 676 Cb 1.09 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.56 3fg6 h MET 676 CO 0.10 0.54 -0.13 -0.92 1.06 0.00 0.00 176.91 177.56 3fg6 h TYR 677 N 0.80 0.52 -0.06 -0.22 3.20 -1.36 -3.09 116.97 116.76 3fg6 h TYR 677 Ca 0.22 -0.08 -0.10 0.00 3.14 0.00 0.00 58.73 61.91 3fg6 h TYR 677 Cb -0.06 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.07 3fg6 h TYR 677 CO -0.03 0.60 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.69 3fg6 h LEU 678 N 0.44 0.41 -0.81 2.82 3.38 -1.50 -3.33 115.31 116.72 3fg6 h LEU 678 Ca 0.08 -0.66 0.03 0.00 0.09 0.00 0.00 57.88 57.42 3fg6 h LEU 678 Cb 0.50 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 3fg6 h LEU 678 CO 0.03 1.00 0.52 -0.33 0.09 0.00 0.00 178.44 179.75 3fg6 h GLU 679 N -0.16 0.99 -3.47 1.13 4.39 -1.49 -3.11 114.58 112.87 3fg6 h GLU 679 Ca -0.02 -0.06 -0.72 0.00 0.34 0.00 0.00 59.36 58.89 3fg6 h GLU 679 Cb 1.00 -0.22 -0.34 0.00 -0.10 0.00 0.00 28.75 29.09 3fg6 h GLU 679 CO 0.07 0.66 -0.10 0.95 -1.16 0.00 0.00 179.01 179.43 3fg6 s THR 680 N -6.11 4.47 -0.01 1.13 -4.23 -1.17 -4.69 115.64 105.03 3fg6 s THR 680 Ca -0.13 -3.41 -0.04 0.00 -1.18 0.00 0.00 61.69 56.93 3fg6 s THR 680 Cb 0.16 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 70.21 3fg6 s THR 680 CO 0.79 -1.03 0.08 -0.62 -0.54 0.00 0.00 174.62 173.30 3fg6 s ASP 681 N 0.49 0.02 0.00 3.99 -1.08 -1.25 -4.86 116.67 113.97 3fg6 s ASP 681 Ca 0.24 -0.10 0.00 0.00 -0.52 0.00 0.00 52.55 52.16 3fg6 s ASP 681 Cb -0.12 0.18 0.00 0.00 -1.46 0.00 0.00 42.92 41.53 3fg6 s ASP 681 CO -0.09 -0.22 0.00 -2.65 0.52 0.00 0.00 175.17 172.74 3fg6 n PRO 682 N 2.14 0.00 0.00 4.34 -0.02 -1.26 -3.05 135.00 137.15 3fg6 n PRO 682 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 3fg6 n PRO 682 Cb 0.57 -0.99 0.00 0.00 -0.02 0.00 0.00 33.50 33.06 3fg6 n PRO 682 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3fg6 n SER 683 N 0.50 0.00 0.00 2.55 7.64 -1.26 -5.18 113.62 117.87 3fg6 n SER 683 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3fg6 n SER 683 Cb 0.00 0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 3fg6 n SER 683 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fg6 n GLY 684 N -1.47 -1.77 3.02 0.23 0.00 -1.17 -4.52 105.19 99.51 3fg6 n GLY 684 Ca 0.00 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.13 3fg6 n GLY 684 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3fg6 n ARG 685 N 0.00 1.06 -1.71 1.61 1.85 -1.17 -4.74 116.66 113.56 3fg6 n ARG 685 Ca 0.00 -1.29 -0.37 0.00 -1.00 0.00 0.00 57.85 55.19 3fg6 n ARG 685 Cb 0.00 -2.51 -0.03 0.00 -1.05 0.00 0.00 32.46 28.87 3fg6 n ARG 685 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3fg6 s ASP 686 N 4.94 4.76 -0.98 2.89 3.68 -1.26 -0.27 116.67 130.43 3fg6 s ASP 686 Ca 0.43 0.92 0.00 0.00 2.13 0.00 0.00 52.55 56.03 3fg6 s ASP 686 Cb 0.10 -2.51 0.00 0.00 -1.45 0.00 0.00 42.92 39.06 3fg6 s ASP 686 CO 0.10 -2.66 0.00 2.29 0.13 0.00 0.00 175.17 175.02 3fg6 n LYS 687 N 9.03 -1.58 -2.29 4.34 2.85 -1.26 -2.47 118.16 126.78 3fg6 n LYS 687 Ca 0.31 0.67 -0.02 0.00 -1.05 0.00 0.00 58.31 58.23 3fg6 n LYS 687 Cb 0.53 -4.81 -0.02 0.00 -0.65 0.00 0.00 35.03 30.09 3fg6 n LYS 687 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 3fg6 n ARG 688 N -0.97 -4.29 -1.99 -1.58 3.00 0.62 -4.97 116.66 106.48 3fg6 n ARG 688 Ca -0.09 3.23 -0.42 0.00 -0.00 0.00 0.00 57.85 60.57 3fg6 n ARG 688 Cb 0.43 -4.33 -0.03 0.00 0.00 0.00 0.00 32.46 28.53 3fg6 n ARG 688 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3fg6 s THR 689 N -0.54 2.77 0.71 5.15 2.01 -1.03 -4.98 115.64 119.73 3fg6 s THR 689 Ca -0.11 0.56 -0.16 0.00 0.31 0.00 0.00 61.69 62.28 3fg6 s THR 689 Cb 0.01 -3.36 -0.01 0.00 0.01 0.00 0.00 72.50 69.15 3fg6 s THR 689 CO 0.31 0.05 0.85 -2.65 -0.69 0.00 0.00 174.62 172.49 3fg6 n PRO 690 N 3.88 0.48 -3.55 4.92 -0.02 -1.26 -4.85 135.00 134.60 3fg6 n PRO 690 Ca 0.13 0.22 -0.29 0.00 -2.02 0.00 0.00 63.50 61.53 3fg6 n PRO 690 Cb 0.39 -2.11 -0.14 0.00 -0.02 0.00 0.00 33.50 31.62 3fg6 n PRO 690 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3fg6 s ILE 691 N -1.82 0.18 -0.17 4.25 2.07 -1.26 -1.79 121.20 122.66 3fg6 s ILE 691 Ca 0.72 -1.18 -0.13 0.00 -1.41 0.00 0.00 60.65 58.65 3fg6 s ILE 691 Cb -0.35 -1.16 -0.05 0.00 0.13 0.00 0.00 42.46 41.03 3fg6 s ILE 691 CO 0.52 -0.80 0.25 -0.69 -1.91 0.00 0.00 174.94 172.31 3fg6 s VAL 692 N 1.68 5.33 -0.17 4.00 1.01 -0.04 -4.97 120.40 127.24 3fg6 s VAL 692 Ca 0.12 0.46 -0.14 0.00 0.00 0.00 0.00 61.98 62.42 3fg6 s VAL 692 Cb -0.18 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 3fg6 s VAL 692 CO -0.24 0.39 0.29 -0.63 0.00 0.00 0.00 175.10 174.92 3fg6 s ILE 693 N 0.51 5.30 -0.09 2.22 1.01 -1.26 -1.37 121.20 127.51 3fg6 s ILE 693 Ca 0.14 0.55 0.02 0.00 0.00 0.00 0.00 60.65 61.36 3fg6 s ILE 693 Cb -0.13 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.72 3fg6 s ILE 693 CO 0.03 0.38 -0.16 -0.63 0.00 0.00 0.00 174.94 174.56 3fg6 s ILE 694 N 0.55 1.48 0.27 2.92 1.09 0.86 -4.94 121.20 123.42 3fg6 s ILE 694 Ca 0.16 -0.66 -0.15 0.00 -1.10 0.00 0.00 60.65 58.90 3fg6 s ILE 694 Cb -0.13 -1.33 -0.08 0.00 -1.06 0.00 0.00 42.46 39.86 3fg6 s ILE 694 CO 0.04 0.43 0.69 -0.54 -0.10 0.00 0.00 174.94 175.46 3fg6 s LYS 695 N 0.75 4.04 0.23 2.79 -0.14 -1.26 -0.08 119.74 126.07 3fg6 s LYS 695 Ca -0.12 0.66 -0.31 0.00 -1.36 0.00 0.00 55.97 54.84 3fg6 s LYS 695 Cb -0.16 -2.63 -0.10 0.00 -1.68 0.00 0.00 37.83 33.26 3fg6 s LYS 695 CO 0.02 0.27 1.53 -1.14 -0.76 0.00 0.00 175.35 175.28 3fg6 s GLN 696 N -2.59 4.21 0.00 1.68 0.74 -0.86 -1.64 119.66 121.21 3fg6 s GLN 696 Ca 0.49 2.40 0.00 0.00 0.05 0.00 0.00 55.36 58.29 3fg6 s GLN 696 Cb -0.13 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 30.88 3fg6 s GLN 696 CO 0.19 -0.55 0.00 0.41 -0.55 0.00 0.00 175.29 174.79 3fg6 n GLY 697 N 2.84 0.54 0.09 2.59 0.00 -1.26 -4.82 105.19 105.16 3fg6 n GLY 697 Ca 0.10 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.14 3fg6 n GLY 697 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fg6 n HIS 698 N -2.76 0.00 -1.88 1.61 8.25 -0.65 -5.09 115.22 114.70 3fg6 n HIS 698 Ca 0.00 -0.42 -0.42 0.00 -0.26 0.00 0.00 57.72 56.62 3fg6 n HIS 698 Cb 0.03 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.05 3fg6 n HIS 698 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3fg6 s GLU 699 N -1.03 4.19 0.58 -0.41 8.01 -1.22 -4.74 118.70 124.09 3fg6 s GLU 699 Ca 0.07 2.42 -0.16 0.00 0.01 0.00 0.00 54.97 57.31 3fg6 s GLU 699 Cb 0.06 -3.16 -0.04 0.00 -4.31 0.00 0.00 34.13 26.69 3fg6 s GLU 699 CO 0.01 -0.65 1.06 -1.25 0.01 0.00 0.00 175.26 174.44 3fg6 s PRO 700 N 1.22 3.32 0.46 0.39 0.04 -1.26 -4.85 135.00 134.32 3fg6 s PRO 700 Ca 0.71 1.26 0.17 0.00 0.04 0.00 0.00 61.00 63.18 3fg6 s PRO 700 Cb -0.45 -2.03 1.12 0.00 0.04 0.00 0.00 34.50 33.18 3fg6 s PRO 700 CO 0.31 -0.81 1.98 -1.35 0.04 0.00 0.00 177.00 177.17 3fg6 h PRO 701 N 0.56 0.30 0.00 0.56 0.11 -1.94 -1.08 132.00 130.52 3fg6 h PRO 701 Ca -0.47 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3fg6 h PRO 701 Cb 1.22 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3fg6 h PRO 701 CO 0.57 0.20 -0.14 0.00 -0.21 0.00 0.00 178.00 178.42 3fg6 h THR 702 N 0.31 0.82 0.08 -1.15 1.03 -1.91 -1.43 112.91 110.65 3fg6 h THR 702 Ca 0.28 -0.55 -0.26 0.00 -0.01 0.00 0.00 66.41 65.87 3fg6 h THR 702 Cb 0.69 1.32 -0.01 0.00 -1.07 0.00 0.00 68.15 69.08 3fg6 h THR 702 CO -0.07 0.14 -1.39 0.15 -0.01 0.00 0.00 175.52 174.34 3fg6 h PHE 703 N 0.00 0.30 -0.10 0.00 3.57 -1.62 -3.39 116.94 115.70 3fg6 h PHE 703 Ca -0.00 -0.22 0.01 0.00 3.53 0.00 0.00 57.97 61.30 3fg6 h PHE 703 Cb 0.31 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 3fg6 h PHE 703 CO 0.00 1.54 0.07 1.15 -2.23 0.00 0.00 178.31 178.84 3fg6 h THR 704 N -0.48 0.99 0.00 4.41 2.02 -1.07 -2.93 112.91 115.84 3fg6 h THR 704 Ca -0.32 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 3fg6 h THR 704 Cb 1.63 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 68.95 3fg6 h THR 704 CO -0.02 0.01 -0.01 1.23 0.37 0.00 0.00 175.52 177.11 3fg6 h GLY 705 N 0.08 0.00 0.87 2.16 0.00 -1.46 -2.18 103.07 102.53 3fg6 h GLY 705 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3fg6 h GLY 705 CO -0.01 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.32 3fg6 n TRP 706 N -3.95 0.00 -5.04 5.60 7.02 -1.11 -4.76 117.44 115.20 3fg6 n TRP 706 Ca -0.03 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.13 3fg6 n TRP 706 Cb 0.09 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 28.84 3fg6 n TRP 706 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 3fg6 s PHE 707 N -2.00 2.55 -0.19 -5.99 0.40 -0.82 -5.03 117.98 106.90 3fg6 s PHE 707 Ca 0.34 -0.27 -0.28 0.00 -0.60 0.00 0.00 56.93 56.12 3fg6 s PHE 707 Cb 0.16 -1.57 0.00 0.00 0.51 0.00 0.00 43.02 42.11 3fg6 s PHE 707 CO 0.26 0.10 0.99 -1.17 0.70 0.00 0.00 175.22 176.10 3fg6 s LEU 708 N -0.71 4.14 0.00 -0.37 2.96 -1.26 -4.71 118.68 118.73 3fg6 s LEU 708 Ca 0.11 1.36 0.00 0.00 -0.22 0.00 0.00 54.13 55.38 3fg6 s LEU 708 Cb -0.10 -3.48 0.00 0.00 0.50 0.00 0.00 46.19 43.11 3fg6 s LEU 708 CO 0.00 -0.57 0.00 0.61 -1.32 0.00 0.00 176.35 175.07 3fg6 n GLY 709 N 3.32 -1.32 0.00 7.98 0.00 -1.26 -4.88 105.19 109.03 3fg6 n GLY 709 Ca 0.10 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3fg6 n GLY 709 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3fg6 n TRP 710 N -1.30 0.00 -1.72 1.61 -0.00 -1.26 -5.00 117.44 109.76 3fg6 n TRP 710 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 57.11 3fg6 n TRP 710 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.28 3fg6 n TRP 710 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 3fg6 s ASP 711 N 0.00 5.06 0.00 5.87 1.01 -1.26 -4.92 116.67 122.43 3fg6 s ASP 711 Ca 0.00 1.20 0.09 0.00 0.71 0.00 0.00 52.55 54.55 3fg6 s ASP 711 Cb 0.00 -2.51 0.53 0.00 1.01 0.00 0.00 42.92 41.94 3fg6 s ASP 711 CO 0.00 -2.38 0.98 -0.24 0.21 0.00 0.00 175.17 173.74