#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 4.52 -0.09 1.61 2.20 -0.68 -4.92 119.74 122.39 3fg6 s LYS 397 Ca 0.00 1.27 0.03 0.00 -0.36 0.00 0.00 55.97 56.91 3fg6 s LYS 397 Cb 0.00 -2.73 0.01 0.00 -1.51 0.00 0.00 37.83 33.59 3fg6 s LYS 397 CO 0.00 0.25 -0.19 0.08 -0.36 0.00 0.00 175.35 175.14 3fg6 s VAL 398 N -1.68 1.64 -0.04 4.02 1.01 -1.26 -1.98 120.40 122.11 3fg6 s VAL 398 Ca 0.51 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.76 3fg6 s VAL 398 Cb -0.17 -1.44 -0.00 0.00 0.00 0.00 0.00 36.38 34.76 3fg6 s VAL 398 CO 0.22 0.47 -0.14 -1.61 0.00 0.00 0.00 175.10 174.04 3fg6 s GLU 399 N 0.51 1.46 -0.06 2.72 2.02 -0.35 -5.00 118.70 120.00 3fg6 s GLU 399 Ca -0.17 -0.49 0.04 0.00 0.02 0.00 0.00 54.97 54.38 3fg6 s GLU 399 Cb -0.17 -1.29 -0.00 0.00 0.10 0.00 0.00 34.13 32.77 3fg6 s GLU 399 CO 0.06 0.19 -0.18 0.42 0.02 0.00 0.00 175.26 175.78 3fg6 s ILE 400 N 0.10 1.53 -0.09 -1.63 1.01 -1.26 -0.08 121.20 120.78 3fg6 s ILE 400 Ca -0.03 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.88 3fg6 s ILE 400 Cb -0.10 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 41.05 3fg6 s ILE 400 CO 0.01 0.44 -0.16 0.26 0.00 0.00 0.00 174.94 175.49 3fg6 s TRP 401 N 0.15 1.95 0.25 3.97 0.51 -0.44 -2.17 118.94 123.17 3fg6 s TRP 401 Ca -0.07 -0.83 -0.30 0.00 -2.12 0.00 0.00 56.10 52.78 3fg6 s TRP 401 Cb -0.13 -1.38 -0.09 0.00 -0.81 0.00 0.00 33.47 31.05 3fg6 s TRP 401 CO 0.03 -0.40 1.25 0.50 -0.51 0.00 0.00 176.95 177.83 3fg6 s ARG 402 N 0.72 4.44 -0.83 4.98 3.52 -0.12 -1.15 118.95 130.51 3fg6 s ARG 402 Ca -0.12 2.03 -0.23 0.00 -0.13 0.00 0.00 55.73 57.27 3fg6 s ARG 402 Cb -0.16 -3.16 0.06 0.00 -1.56 0.00 0.00 34.95 30.13 3fg6 s ARG 402 CO 0.03 -0.11 1.23 0.08 -0.81 0.00 0.00 175.30 175.71 3fg6 s VAL 403 N -0.55 4.09 0.08 7.11 1.01 -0.29 -1.26 120.40 130.59 3fg6 s VAL 403 Ca 0.51 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.08 3fg6 s VAL 403 Cb -0.36 -4.88 -0.04 0.00 0.00 0.00 0.00 36.38 31.10 3fg6 s VAL 403 CO 0.43 -1.73 0.08 -0.70 0.00 0.00 0.00 175.10 173.18 3fg6 s GLU 404 N 4.61 2.89 0.00 2.72 2.12 -1.06 -4.71 118.70 125.27 3fg6 s GLU 404 Ca 0.35 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 55.00 3fg6 s GLU 404 Cb -0.07 -2.73 0.00 0.00 0.26 0.00 0.00 34.13 31.58 3fg6 s GLU 404 CO 0.02 0.57 0.00 -1.71 -0.54 0.00 0.00 175.26 173.60 3fg6 n ASN 405 N 0.47 0.00 -1.42 -1.70 2.85 -1.26 -0.95 115.26 113.25 3fg6 n ASN 405 Ca -0.09 0.00 0.03 0.00 -0.11 0.00 0.00 54.58 54.42 3fg6 n ASN 405 Cb 0.52 0.00 0.06 0.00 1.24 0.00 0.00 39.78 41.60 3fg6 n ASN 405 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 3fg6 n ASN 406 N 0.00 1.30 -3.13 1.20 5.03 -1.26 -5.03 115.26 113.37 3fg6 n ASN 406 Ca 0.00 -2.47 -0.15 0.00 0.87 0.00 0.00 54.58 52.84 3fg6 n ASN 406 Cb 0.00 -0.37 -0.03 0.00 -1.02 0.00 0.00 39.78 38.36 3fg6 n ASN 406 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3fg6 s GLY 407 N -2.45 1.44 -0.23 7.41 0.00 -0.13 -5.07 107.32 108.30 3fg6 s GLY 407 Ca 0.35 -1.48 -0.11 0.00 0.00 0.00 0.00 44.72 43.48 3fg6 s GLY 407 CO -0.13 -0.94 0.16 0.50 0.00 0.00 0.00 173.10 172.68 3fg6 s ARG 408 N -2.88 4.11 -0.18 2.90 0.52 -1.26 -2.58 118.95 119.58 3fg6 s ARG 408 Ca 0.29 -0.24 -0.01 0.00 -0.52 0.00 0.00 55.73 55.25 3fg6 s ARG 408 Cb -0.01 -3.51 0.00 0.00 0.52 0.00 0.00 34.95 31.96 3fg6 s ARG 408 CO 0.20 0.12 -0.13 0.42 0.02 0.00 0.00 175.30 175.93 3fg6 s ILE 409 N 0.87 2.71 0.03 1.52 1.01 -0.39 -4.96 121.20 121.99 3fg6 s ILE 409 Ca 0.08 -0.73 -0.35 0.00 0.00 0.00 0.00 60.65 59.65 3fg6 s ILE 409 Cb -0.13 -2.17 -0.13 0.00 0.01 0.00 0.00 42.46 40.03 3fg6 s ILE 409 CO 0.03 0.49 1.68 0.00 0.00 0.00 0.00 174.94 177.14 3fg6 n GLN 410 N 4.44 1.98 -3.08 2.79 6.02 -1.26 -0.95 117.38 127.33 3fg6 n GLN 410 Ca -0.19 0.72 -0.37 0.00 -0.01 0.00 0.00 57.00 57.15 3fg6 n GLN 410 Cb 0.51 -2.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.21 3fg6 n GLN 410 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3fg6 s VAL 411 N 2.24 4.54 0.10 5.09 0.11 -0.92 -4.81 120.40 126.75 3fg6 s VAL 411 Ca 0.86 1.34 -0.35 0.00 -2.93 0.00 0.00 61.98 60.90 3fg6 s VAL 411 Cb -0.74 -3.89 -0.15 0.00 -1.53 0.00 0.00 36.38 30.07 3fg6 s VAL 411 CO 0.46 0.25 1.50 -0.67 -3.33 0.00 0.00 175.10 173.30 3fg6 n ASP 412 N 0.83 2.48 -0.30 3.54 -0.08 -1.26 -4.89 116.55 116.87 3fg6 n ASP 412 Ca -0.03 1.09 0.04 0.00 -1.51 0.00 0.00 54.79 54.39 3fg6 n ASP 412 Cb 0.51 -1.32 0.19 0.00 2.34 0.00 0.00 41.12 42.84 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 5.54 0.74 0.00 -0.67 5.75 -1.98 -0.01 115.11 124.49 3fg6 h GLN 413 Ca -0.46 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 57.95 3fg6 h GLN 413 Cb 1.29 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.67 3fg6 h GLN 413 CO 0.85 0.49 -0.20 -0.91 -2.65 0.00 0.00 178.83 176.41 3fg6 h ASN 414 N 0.77 0.00 -0.28 -0.69 4.21 -2.05 -3.13 115.58 114.41 3fg6 h ASN 414 Ca 0.42 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.93 3fg6 h ASN 414 Cb 0.44 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.64 3fg6 h ASN 414 CO -0.27 0.20 0.00 -1.20 -1.29 0.00 0.00 177.43 174.86 3fg6 n SER 415 N -3.98 2.55 -4.65 5.81 7.64 -0.02 -4.90 113.62 116.07 3fg6 n SER 415 Ca -0.02 -2.25 -0.42 0.00 1.01 0.00 0.00 58.87 57.19 3fg6 n SER 415 Cb 0.28 -0.44 -0.03 0.00 -1.01 0.00 0.00 64.21 63.01 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 -1.69 1.79 0.00 1.43 4.12 -1.19 -1.09 117.35 120.73 3fg6 s TYR 416 Ca 0.23 0.17 0.00 0.00 0.02 0.00 0.00 57.07 57.49 3fg6 s TYR 416 Cb 0.15 -4.00 0.00 0.00 -1.52 0.00 0.00 41.96 36.60 3fg6 s TYR 416 CO 0.10 -4.02 0.00 0.41 0.02 0.00 0.00 175.55 172.06 3fg6 n GLY 417 N 4.47 2.37 3.54 0.71 0.00 -1.26 -4.95 105.19 110.07 3fg6 n GLY 417 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.62 3.42 0.08 1.61 2.02 -0.25 -1.77 118.70 123.19 3fg6 s GLU 418 Ca 0.00 -0.24 0.09 0.00 0.02 0.00 0.00 54.97 54.84 3fg6 s GLU 418 Cb 0.00 -3.90 -0.03 0.00 0.10 0.00 0.00 34.13 30.30 3fg6 s GLU 418 CO 0.00 -0.89 -0.25 -0.06 0.02 0.00 0.00 175.26 174.08 3fg6 s PHE 419 N 2.73 2.14 0.02 1.61 0.40 -0.34 -4.98 117.98 119.56 3fg6 s PHE 419 Ca 0.22 -0.40 -0.21 0.00 -0.60 0.00 0.00 56.93 55.95 3fg6 s PHE 419 Cb -0.14 -1.23 -0.06 0.00 0.51 0.00 0.00 43.02 42.10 3fg6 s PHE 419 CO 0.17 0.19 0.62 0.71 0.70 0.00 0.00 175.22 177.62 3fg6 s TYR 420 N -0.93 3.72 0.39 0.36 2.02 -1.26 -1.20 117.35 120.45 3fg6 s TYR 420 Ca 0.11 1.27 0.11 0.00 -0.37 0.00 0.00 57.07 58.19 3fg6 s TYR 420 Cb -0.10 -2.63 0.79 0.00 -0.40 0.00 0.00 41.96 39.62 3fg6 s TYR 420 CO 0.03 0.38 1.89 0.78 -1.57 0.00 0.00 175.55 177.07 3fg6 h GLY 421 N 5.43 0.13 -2.01 0.71 0.00 -1.89 -2.32 103.07 103.12 3fg6 h GLY 421 Ca -0.46 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3fg6 h GLY 421 CO 0.69 0.08 0.00 0.61 0.00 0.00 0.00 176.54 177.92 3fg6 n GLY 422 N -0.73 1.93 3.28 4.60 0.00 -1.26 -1.87 105.19 111.14 3fg6 n GLY 422 Ca -0.02 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.43 1.78 0.07 1.61 1.01 -0.87 -4.31 116.67 115.52 3fg6 s ASP 423 Ca 0.24 -1.09 0.06 0.00 0.71 0.00 0.00 52.55 52.47 3fg6 s ASP 423 Cb 0.18 0.00 -0.04 0.00 1.01 0.00 0.00 42.92 44.07 3fg6 s ASP 423 CO 0.08 -0.41 -0.11 0.00 0.21 0.00 0.00 175.17 174.95 3fg6 s TYR 425 N -1.11 1.04 -0.31 0.00 1.51 0.16 -1.14 117.35 117.50 3fg6 s TYR 425 Ca 0.19 -0.36 -0.05 0.00 -1.01 0.00 0.00 57.07 55.85 3fg6 s TYR 425 Cb -0.11 -0.62 0.03 0.00 -0.11 0.00 0.00 41.96 41.15 3fg6 s TYR 425 CO 0.11 0.01 0.05 0.42 -1.11 0.00 0.00 175.55 175.03 3fg6 s ILE 426 N -0.89 3.52 -0.26 2.71 1.01 -0.30 0.04 121.20 127.04 3fg6 s ILE 426 Ca -0.01 -1.06 -0.08 0.00 0.00 0.00 0.00 60.65 59.50 3fg6 s ILE 426 Cb -0.08 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 3fg6 s ILE 426 CO 0.01 -0.04 0.11 -0.63 0.00 0.00 0.00 174.94 174.38 3fg6 s ILE 427 N 1.38 4.64 -0.25 2.92 1.01 0.82 -1.32 121.20 130.40 3fg6 s ILE 427 Ca -0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 60.65 60.51 3fg6 s ILE 427 Cb -0.19 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 3fg6 s ILE 427 CO 0.01 0.32 0.06 -0.22 0.00 0.00 0.00 174.94 175.11 3fg6 s LEU 428 N 1.60 3.44 -0.23 2.97 2.96 0.89 -0.61 118.68 129.70 3fg6 s LEU 428 Ca 0.06 -0.28 -0.06 0.00 -0.22 0.00 0.00 54.13 53.63 3fg6 s LEU 428 Cb -0.15 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 3fg6 s LEU 428 CO 0.06 -0.05 0.02 -0.47 -1.32 0.00 0.00 176.35 174.58 3fg6 s TYR 429 N 1.59 3.03 -0.07 5.38 5.04 0.26 -1.22 117.35 131.37 3fg6 s TYR 429 Ca 0.06 -0.62 0.04 0.00 -2.44 0.00 0.00 57.07 54.11 3fg6 s TYR 429 Cb -0.15 -2.16 -0.02 0.00 0.35 0.00 0.00 41.96 39.98 3fg6 s TYR 429 CO 0.03 -0.41 -0.20 0.95 -1.34 0.00 0.00 175.55 174.58 3fg6 s THR 430 N 1.46 2.51 -0.49 4.34 -4.23 -0.84 -0.84 115.64 117.56 3fg6 s THR 430 Ca 0.05 -0.90 0.06 0.00 -1.18 0.00 0.00 61.69 59.73 3fg6 s THR 430 Cb -0.15 -1.97 0.23 0.00 1.34 0.00 0.00 72.50 71.96 3fg6 s THR 430 CO 0.01 0.57 0.84 0.00 -0.54 0.00 0.00 174.62 175.50 3fg6 n TYR 431 N 2.90 -3.24 0.00 3.99 0.18 -1.08 -1.69 117.16 118.21 3fg6 n TYR 431 Ca -0.17 -1.81 0.00 0.00 1.88 0.00 0.00 57.90 57.80 3fg6 n TYR 431 Cb 0.52 1.45 0.00 0.00 -0.38 0.00 0.00 39.34 40.93 3fg6 n TYR 431 CO 0.00 0.00 0.00 -2.30 -2.08 0.00 0.00 176.86 172.48 3fg6 n PRO 432 N 1.82 0.00 0.00 -3.48 -0.02 -1.26 -2.92 135.00 129.14 3fg6 n PRO 432 Ca 0.11 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.73 3fg6 n PRO 432 Cb 0.61 0.00 0.65 0.00 -0.02 0.00 0.00 33.50 34.75 3fg6 n PRO 432 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3fg6 n ARG 433 N 0.00 0.26 -3.59 -0.52 5.12 -1.26 -4.97 116.66 111.70 3fg6 n ARG 433 Ca 0.00 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 3fg6 n ARG 433 Cb 0.00 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.80 3fg6 n ARG 433 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3fg6 n GLY 434 N 1.38 -1.73 3.19 -0.13 0.00 -1.15 -5.15 105.19 101.61 3fg6 n GLY 434 Ca 0.11 -1.12 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.56 1.14 -0.09 1.61 -1.52 -1.26 -2.65 119.66 115.33 3fg6 s GLN 435 Ca 0.00 -0.83 0.02 0.00 -1.95 0.00 0.00 55.36 52.60 3fg6 s GLN 435 Cb 0.00 -1.20 0.01 0.00 -0.22 0.00 0.00 33.01 31.61 3fg6 s GLN 435 CO 0.00 0.30 -0.14 0.42 -0.25 0.00 0.00 175.29 175.63 3fg6 s ILE 436 N -0.81 1.34 -0.34 1.08 1.01 -0.02 -1.49 121.20 121.98 3fg6 s ILE 436 Ca 0.04 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 60.06 3fg6 s ILE 436 Cb -0.08 -1.24 0.03 0.00 0.01 0.00 0.00 42.46 41.18 3fg6 s ILE 436 CO 0.01 0.41 0.12 -0.63 0.00 0.00 0.00 174.94 174.86 3fg6 s ILE 437 N 0.95 4.02 -0.25 2.92 1.01 0.57 -0.57 121.20 129.85 3fg6 s ILE 437 Ca -0.08 -0.95 -0.18 0.00 0.00 0.00 0.00 60.65 59.45 3fg6 s ILE 437 Cb -0.15 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 3fg6 s ILE 437 CO -0.00 -0.12 0.50 -0.31 0.00 0.00 0.00 174.94 175.01 3fg6 s TYR 438 N 1.47 3.29 -0.62 3.97 2.02 0.23 -0.68 117.35 127.01 3fg6 s TYR 438 Ca 0.00 0.64 -0.17 0.00 -0.37 0.00 0.00 57.07 57.18 3fg6 s TYR 438 Cb -0.19 -2.70 0.14 0.00 -0.40 0.00 0.00 41.96 38.81 3fg6 s TYR 438 CO 0.04 -0.24 0.63 0.99 -1.57 0.00 0.00 175.55 175.40 3fg6 s THR 439 N 2.16 5.14 -0.28 -0.71 2.01 -0.36 -0.13 115.64 123.47 3fg6 s THR 439 Ca 0.21 -1.51 -0.27 0.00 0.31 0.00 0.00 61.69 60.43 3fg6 s THR 439 Cb -0.16 -4.43 0.01 0.00 0.01 0.00 0.00 72.50 67.94 3fg6 s THR 439 CO 0.09 -1.00 0.96 0.86 -0.69 0.00 0.00 174.62 174.84 3fg6 s TRP 440 N 1.74 3.23 -0.22 4.92 -0.00 0.11 -0.63 118.94 128.09 3fg6 s TRP 440 Ca 0.09 1.17 -0.04 0.00 -0.00 0.00 0.00 56.10 57.32 3fg6 s TRP 440 Cb -0.24 -3.38 -0.01 0.00 -0.00 0.00 0.00 33.47 29.84 3fg6 s TRP 440 CO 0.02 -0.59 -0.03 -0.65 -0.00 0.00 0.00 176.95 175.69 3fg6 s GLN 441 N 3.25 3.41 0.34 5.86 -0.21 0.12 0.35 119.66 132.78 3fg6 s GLN 441 Ca 0.40 -0.61 -0.28 0.00 0.02 0.00 0.00 55.36 54.90 3fg6 s GLN 441 Cb -0.14 -3.03 -0.10 0.00 1.00 0.00 0.00 33.01 30.75 3fg6 s GLN 441 CO 0.11 -0.18 1.21 0.20 -2.12 0.00 0.00 175.29 174.51 3fg6 s GLY 442 N 1.46 2.98 0.63 3.09 0.00 -0.47 -1.04 107.32 113.97 3fg6 s GLY 442 Ca 0.05 1.07 0.35 0.00 0.00 0.00 0.00 44.72 46.20 3fg6 s GLY 442 CO -0.02 1.67 2.22 0.00 0.00 0.00 0.00 173.10 176.97 3fg6 h ALA 443 N 3.27 1.40 -0.38 3.20 0.00 -1.87 0.02 119.26 124.90 3fg6 h ALA 443 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3fg6 h ALA 443 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3fg6 h ALA 443 CO 0.65 -0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.87 3fg6 n ASN 444 N -3.46 3.28 -4.74 0.00 3.02 -0.78 -4.99 115.26 107.58 3fg6 n ASN 444 Ca -0.02 -1.94 -0.41 0.00 -0.03 0.00 0.00 54.58 52.18 3fg6 n ASN 444 Cb 0.17 -0.24 -0.02 0.00 -0.61 0.00 0.00 39.78 39.08 3fg6 n ASN 444 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fg6 s ALA 445 N -1.30 3.66 0.59 5.41 0.00 -0.01 -4.57 121.76 125.55 3fg6 s ALA 445 Ca 0.35 1.37 -0.17 0.00 0.00 0.00 0.00 51.96 53.50 3fg6 s ALA 445 Cb 0.20 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 3fg6 s ALA 445 CO 0.28 -0.78 1.12 0.95 0.00 0.00 0.00 175.76 177.32 3fg6 s THR 446 N 0.13 3.22 0.60 0.00 -4.23 -1.26 -4.87 115.64 109.22 3fg6 s THR 446 Ca 0.61 0.67 0.30 0.00 -1.18 0.00 0.00 61.69 62.09 3fg6 s THR 446 Cb -0.43 -3.21 0.36 0.00 1.34 0.00 0.00 72.50 70.56 3fg6 s THR 446 CO 0.43 -0.25 2.18 0.03 -0.54 0.00 0.00 174.62 176.46 3fg6 h ARG 447 N 0.68 0.00 -0.64 3.99 3.08 -1.99 0.48 114.38 119.98 3fg6 h ARG 447 Ca -0.49 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.55 3fg6 h ARG 447 Cb 1.25 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 3fg6 h ARG 447 CO 0.56 0.00 0.33 0.22 -1.07 0.00 0.00 179.97 180.01 3fg6 h ASP 448 N 0.00 0.81 -0.30 7.04 3.58 -2.00 -2.13 116.42 123.42 3fg6 h ASP 448 Ca 0.04 -0.11 -0.15 0.00 0.42 0.00 0.00 57.03 57.23 3fg6 h ASP 448 Cb 0.25 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 3fg6 h ASP 448 CO -0.00 0.69 -0.38 -0.33 -2.88 0.00 0.00 179.24 176.33 3fg6 h GLU 449 N 0.87 0.85 -0.46 0.28 5.08 -1.28 -2.60 114.58 117.33 3fg6 h GLU 449 Ca 0.22 -0.44 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3fg6 h GLU 449 Cb 0.07 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3fg6 h GLU 449 CO -0.03 1.08 0.30 -0.07 -1.00 0.00 0.00 179.01 179.29 3fg6 h LEU 450 N 0.70 0.52 0.02 1.33 3.38 -1.24 0.17 115.31 120.18 3fg6 h LEU 450 Ca 0.06 -0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.76 3fg6 h LEU 450 Cb 0.95 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 41.60 3fg6 h LEU 450 CO 0.09 0.38 -0.99 0.74 0.09 0.00 0.00 178.44 178.74 3fg6 h THR 451 N 0.62 1.31 -0.58 0.22 2.02 -1.34 -2.85 112.91 112.31 3fg6 h THR 451 Ca 0.17 -2.25 -0.08 0.00 0.77 0.00 0.00 66.41 65.02 3fg6 h THR 451 Cb -0.06 2.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.80 3fg6 h THR 451 CO -0.04 0.69 0.04 0.74 0.37 0.00 0.00 175.52 177.32 3fg6 h THR 452 N 0.29 1.26 -0.46 3.16 2.02 -1.04 -0.51 112.91 117.63 3fg6 h THR 452 Ca -0.13 -1.08 0.01 0.00 0.77 0.00 0.00 66.41 65.98 3fg6 h THR 452 Cb 1.66 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 3fg6 h THR 452 CO 0.19 0.39 0.29 0.77 0.37 0.00 0.00 175.52 177.54 3fg6 h SER 453 N 0.89 0.50 -0.54 4.18 4.64 -0.75 0.13 113.55 122.59 3fg6 h SER 453 Ca 0.17 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.39 3fg6 h SER 453 Cb 0.50 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 3fg6 h SER 453 CO 0.02 0.36 0.01 0.00 -0.87 0.00 0.00 176.83 176.35 3fg6 h ALA 454 N 1.18 0.94 -0.53 5.18 0.00 -1.31 -1.89 119.26 122.82 3fg6 h ALA 454 Ca 0.17 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3fg6 h ALA 454 Cb -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3fg6 h ALA 454 CO -0.05 0.64 0.11 0.35 0.00 0.00 0.00 179.25 180.30 3fg6 h PHE 455 N 0.91 0.84 0.00 0.00 3.57 -0.64 -2.84 116.94 118.78 3fg6 h PHE 455 Ca 0.17 -0.08 -0.19 0.00 3.53 0.00 0.00 57.97 61.40 3fg6 h PHE 455 Cb 0.51 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 3fg6 h PHE 455 CO 0.03 0.72 -0.89 -0.07 -2.23 0.00 0.00 178.31 175.87 3fg6 h LEU 456 N 0.78 0.00 -0.59 0.59 3.38 -0.41 -2.05 115.31 117.01 3fg6 h LEU 456 Ca 0.17 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 3fg6 h LEU 456 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3fg6 h LEU 456 CO 0.00 0.89 -0.66 0.71 0.09 0.00 0.00 178.44 179.47 3fg6 h THR 457 N 0.00 1.42 -0.17 0.22 1.35 -1.34 0.92 112.91 115.30 3fg6 h THR 457 Ca -0.01 -2.14 -0.01 0.00 -0.55 0.00 0.00 66.41 63.71 3fg6 h THR 457 Cb 1.69 2.12 -0.01 0.00 -1.73 0.00 0.00 68.15 70.22 3fg6 h THR 457 CO 0.12 0.63 0.08 0.58 -0.25 0.00 0.00 175.52 176.68 3fg6 h VAL 458 N 0.13 1.13 -0.58 6.82 2.07 -1.47 0.13 116.25 124.49 3fg6 h VAL 458 Ca -0.01 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.21 3fg6 h VAL 458 Cb 1.19 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.95 3fg6 h VAL 458 CO 0.10 0.12 0.29 1.56 0.02 0.00 0.00 177.57 179.66 3fg6 h GLN 459 N 0.15 0.53 -0.18 1.57 7.50 -1.18 -0.62 115.11 122.89 3fg6 h GLN 459 Ca 0.06 -0.03 -0.02 0.00 0.50 0.00 0.00 58.65 59.16 3fg6 h GLN 459 Cb 0.11 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.51 3fg6 h GLN 459 CO -0.01 0.35 0.04 1.25 -1.50 0.00 0.00 178.83 178.96 3fg6 h LEU 460 N 0.55 0.28 -0.73 1.46 5.85 -0.65 -2.63 115.31 119.43 3fg6 h LEU 460 Ca 0.27 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3fg6 h LEU 460 Cb 0.20 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3fg6 h LEU 460 CO -0.19 0.46 0.42 -0.78 -0.34 0.00 0.00 178.44 178.01 3fg6 h ASP 461 N 0.09 0.89 0.24 1.25 -0.00 -0.50 -2.41 116.42 115.99 3fg6 h ASP 461 Ca 0.06 -0.08 -0.06 0.00 -0.00 0.00 0.00 57.03 56.94 3fg6 h ASP 461 Cb 0.29 -0.23 -0.01 0.00 -0.00 0.00 0.00 39.33 39.38 3fg6 h ASP 461 CO 0.00 0.71 -0.27 0.03 -0.00 0.00 0.00 179.24 179.71 3fg6 h ARG 462 N 1.00 0.06 0.00 0.28 3.08 -1.09 0.16 114.38 117.88 3fg6 h ARG 462 Ca 0.26 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3fg6 h ARG 462 Cb -0.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3fg6 h ARG 462 CO -0.05 0.34 0.00 -1.13 -1.07 0.00 0.00 179.97 178.06 3fg6 n SER 463 N -4.19 0.81 -0.43 7.04 3.41 -0.94 -2.96 113.62 116.36 3fg6 n SER 463 Ca -0.02 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.29 3fg6 n SER 463 Cb 0.34 -0.80 0.13 0.00 -0.26 0.00 0.00 64.21 63.62 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 -2.27 1.74 0.00 1.04 4.77 -0.86 -4.95 117.00 116.48 3fg6 n LEU 464 Ca 0.05 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 3fg6 n LEU 464 Cb 0.42 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3fg6 n LEU 464 CO 0.30 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3fg6 n GLY 465 N 1.39 1.23 1.24 -0.72 0.00 -1.03 -4.52 105.19 102.77 3fg6 n GLY 465 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.55 0.64 0.04 -0.02 0.00 0.52 -4.94 105.19 100.87 3fg6 n GLY 466 Ca 0.00 -0.49 0.12 0.00 0.00 0.00 0.00 46.02 45.64 3fg6 n GLY 466 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3fg6 n GLN 467 N -2.62 0.25 -2.45 1.61 -0.06 -1.26 -4.96 117.38 107.88 3fg6 n GLN 467 Ca 0.00 0.03 -0.40 0.00 -2.00 0.00 0.00 57.00 54.63 3fg6 n GLN 467 Cb 0.00 -1.61 -0.04 0.00 -4.06 0.00 0.00 30.24 24.53 3fg6 n GLN 467 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3fg6 s ALA 468 N -3.16 3.34 0.18 1.69 0.00 -1.26 -4.67 121.76 117.88 3fg6 s ALA 468 Ca 0.05 0.89 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 3fg6 s ALA 468 Cb 0.14 -3.33 -0.07 0.00 0.00 0.00 0.00 23.12 19.86 3fg6 s ALA 468 CO 0.76 -0.22 1.00 0.08 0.00 0.00 0.00 175.76 177.38 3fg6 s VAL 469 N -1.26 4.14 -0.15 0.00 1.01 -0.55 -4.93 120.40 118.66 3fg6 s VAL 469 Ca 0.48 1.93 -0.00 0.00 0.00 0.00 0.00 61.98 64.38 3fg6 s VAL 469 Cb -0.31 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 31.84 3fg6 s VAL 469 CO 0.39 0.37 -0.13 -1.10 0.00 0.00 0.00 175.10 174.63 3fg6 s GLN 470 N -0.56 3.31 -0.17 2.72 -0.21 -1.26 -0.32 119.66 123.18 3fg6 s GLN 470 Ca 0.45 -0.70 -0.00 0.00 0.02 0.00 0.00 55.36 55.13 3fg6 s GLN 470 Cb -0.26 -2.67 0.04 0.00 1.00 0.00 0.00 33.01 31.11 3fg6 s GLN 470 CO 0.33 0.08 -0.07 0.42 -2.12 0.00 0.00 175.29 173.93 3fg6 s ILE 471 N 0.68 1.26 -0.48 1.08 1.01 0.14 -4.98 121.20 119.91 3fg6 s ILE 471 Ca -0.07 -0.68 -0.28 0.00 0.00 0.00 0.00 60.65 59.62 3fg6 s ILE 471 Cb -0.15 -1.38 0.03 0.00 0.01 0.00 0.00 42.46 40.97 3fg6 s ILE 471 CO 0.02 0.19 1.08 -0.60 0.00 0.00 0.00 174.94 175.63 3fg6 s ARG 472 N 1.57 3.67 -0.31 2.79 3.52 -1.26 -1.22 118.95 127.71 3fg6 s ARG 472 Ca 0.01 0.45 -0.09 0.00 -0.13 0.00 0.00 55.73 55.97 3fg6 s ARG 472 Cb -0.15 -3.92 0.00 0.00 -1.56 0.00 0.00 34.95 29.33 3fg6 s ARG 472 CO -0.08 -1.34 0.13 0.08 -0.81 0.00 0.00 175.30 173.28 3fg6 s VAL 473 N 4.27 4.36 0.49 7.11 1.01 0.20 -4.95 120.40 132.89 3fg6 s VAL 473 Ca 0.45 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.65 3fg6 s VAL 473 Cb -0.08 -3.26 -0.08 0.00 0.00 0.00 0.00 36.38 32.96 3fg6 s VAL 473 CO 0.30 0.04 1.06 -0.44 0.00 0.00 0.00 175.10 176.06 3fg6 s SER 474 N 1.56 6.26 0.21 3.32 0.01 -1.26 0.12 113.70 123.93 3fg6 s SER 474 Ca 0.04 2.01 -0.32 0.00 1.31 0.00 0.00 55.95 58.98 3fg6 s SER 474 Cb -0.17 -2.57 -0.14 0.00 0.21 0.00 0.00 66.02 63.35 3fg6 s SER 474 CO 0.05 -0.84 1.40 1.67 0.41 0.00 0.00 173.24 175.92 3fg6 n GLN 475 N -0.90 1.89 -0.58 12.44 7.27 -0.20 -1.69 117.38 135.61 3fg6 n GLN 475 Ca 0.09 0.67 0.00 0.00 0.07 0.00 0.00 57.00 57.83 3fg6 n GLN 475 Cb 0.52 -2.32 0.00 0.00 2.41 0.00 0.00 30.24 30.84 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 2.35 1.74 2.48 1.69 0.00 -1.26 -4.88 105.19 107.31 3fg6 n GLY 476 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 3.22 -2.64 1.61 4.76 -0.68 -4.51 118.16 117.92 3fg6 n LYS 477 Ca 0.00 -4.38 -0.41 0.00 -2.87 0.00 0.00 58.31 50.64 3fg6 n LYS 477 Cb 0.00 -2.16 -0.04 0.00 -1.84 0.00 0.00 35.03 30.99 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 -3.50 4.61 0.70 1.97 8.01 -1.26 -4.56 118.70 124.66 3fg6 s GLU 478 Ca 0.46 1.54 -0.17 0.00 0.01 0.00 0.00 54.97 56.81 3fg6 s GLU 478 Cb 0.41 -3.37 0.01 0.00 -4.31 0.00 0.00 34.13 26.86 3fg6 s GLU 478 CO -0.16 0.06 1.19 -0.35 0.01 0.00 0.00 175.26 176.01 3fg6 n PRO 479 N 3.11 0.78 -0.11 0.39 -0.04 -1.26 -4.88 135.00 132.98 3fg6 n PRO 479 Ca 0.04 0.32 0.07 0.00 -0.04 0.00 0.00 63.50 63.90 3fg6 n PRO 479 Cb 0.49 -2.43 0.40 0.00 -0.04 0.00 0.00 33.50 31.92 3fg6 n PRO 479 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3fg6 h VAL 480 N 0.05 1.01 -0.38 0.52 -1.51 -2.00 -2.32 116.25 111.63 3fg6 h VAL 480 Ca -0.49 -0.22 -0.07 0.00 -1.23 0.00 0.00 66.70 64.69 3fg6 h VAL 480 Cb 1.33 0.33 -0.01 0.00 -2.13 0.00 0.00 31.29 30.81 3fg6 h VAL 480 CO 0.50 0.11 -0.05 -0.74 -1.23 0.00 0.00 177.57 176.16 3fg6 h HIS 481 N 0.63 0.78 -0.52 5.19 -0.00 -1.99 -2.12 115.15 117.13 3fg6 h HIS 481 Ca 0.26 -0.16 -0.04 0.00 -0.00 0.00 0.00 60.37 60.44 3fg6 h HIS 481 Cb 0.24 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.43 3fg6 h HIS 481 CO -0.00 0.83 0.17 1.25 -0.00 0.00 0.00 177.93 180.18 3fg6 h LEU 482 N 0.52 0.70 -0.84 0.26 5.85 -1.79 -1.89 115.31 118.11 3fg6 h LEU 482 Ca 0.10 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 3fg6 h LEU 482 Cb 0.55 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3fg6 h LEU 482 CO 0.03 0.66 -0.48 -0.07 -0.34 0.00 0.00 178.44 178.24 3fg6 h LEU 483 N 0.75 0.24 0.00 2.25 3.38 -1.40 -3.01 115.31 117.51 3fg6 h LEU 483 Ca 0.17 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3fg6 h LEU 483 Cb 0.21 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3fg6 h LEU 483 CO -0.01 0.69 0.00 -1.54 0.09 0.00 0.00 178.44 177.67 3fg6 n SER 484 N -3.97 0.00 0.11 -0.43 3.41 -0.73 -2.35 113.62 109.66 3fg6 n SER 484 Ca -0.02 0.13 -0.20 0.00 -0.26 0.00 0.00 58.87 58.52 3fg6 n SER 484 Cb 0.53 -0.33 -0.15 0.00 -0.26 0.00 0.00 64.21 64.00 3fg6 n SER 484 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3fg6 h LEU 485 N 0.00 0.60 -8.82 1.04 4.07 -1.37 -3.43 115.31 107.40 3fg6 h LEU 485 Ca 0.00 -0.71 -0.57 0.00 0.08 0.00 0.00 57.88 56.68 3fg6 h LEU 485 Cb 0.19 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 41.68 3fg6 h LEU 485 CO 0.00 1.57 1.07 -0.36 -1.08 0.00 0.00 178.44 179.64 3fg6 s PHE 486 N -2.62 2.41 -1.16 1.13 0.40 -0.99 -4.90 117.98 112.25 3fg6 s PHE 486 Ca -0.09 0.69 -0.08 0.00 -0.60 0.00 0.00 56.93 56.85 3fg6 s PHE 486 Cb 0.06 -4.23 -0.07 0.00 0.51 0.00 0.00 43.02 39.29 3fg6 s PHE 486 CO 0.90 -2.01 2.38 1.63 0.70 0.00 0.00 175.22 178.82 3fg6 n LYS 487 N 7.96 2.61 -3.86 0.44 4.76 -1.26 -4.29 118.16 124.52 3fg6 n LYS 487 Ca 0.17 -1.77 -0.27 0.00 -2.87 0.00 0.00 58.31 53.56 3fg6 n LYS 487 Cb 0.48 -2.63 0.02 0.00 -1.84 0.00 0.00 35.03 31.06 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 4.28 -3.12 -4.22 4.39 9.92 -1.26 -5.00 116.55 121.55 3fg6 n ASP 488 Ca 0.56 -0.82 -0.33 0.00 -0.53 0.00 0.00 54.79 53.67 3fg6 n ASP 488 Cb 0.19 -3.82 -0.15 0.00 -0.64 0.00 0.00 41.12 36.69 3fg6 n ASP 488 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3fg6 s LYS 489 N -6.41 3.16 0.55 -1.24 1.02 -1.26 -5.10 119.74 110.45 3fg6 s LYS 489 Ca 0.39 -0.76 -0.21 0.00 0.02 0.00 0.00 55.97 55.41 3fg6 s LYS 489 Cb -0.19 -2.68 -0.05 0.00 -0.52 0.00 0.00 37.83 34.39 3fg6 s LYS 489 CO 0.83 -0.12 1.27 -1.25 -0.92 0.00 0.00 175.35 175.17 3fg6 s PRO 490 N 1.14 3.18 -0.35 -1.68 0.04 -1.26 -4.87 135.00 131.19 3fg6 s PRO 490 Ca 0.01 2.01 -0.28 0.00 0.04 0.00 0.00 61.00 62.79 3fg6 s PRO 490 Cb -0.14 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 3fg6 s PRO 490 CO -0.06 -1.09 2.12 -0.51 0.04 0.00 0.00 177.00 177.50 3fg6 s LEU 491 N -3.63 3.43 -0.29 -3.56 1.02 -1.03 -4.61 118.68 110.01 3fg6 s LEU 491 Ca 0.72 1.41 -0.14 0.00 0.02 0.00 0.00 54.13 56.15 3fg6 s LEU 491 Cb -0.35 -3.19 -0.03 0.00 0.02 0.00 0.00 46.19 42.63 3fg6 s LEU 491 CO 0.40 -2.15 0.30 -0.63 0.02 0.00 0.00 176.35 174.30 3fg6 s ILE 492 N 8.91 5.22 -0.22 -0.59 1.01 -0.73 0.24 121.20 135.04 3fg6 s ILE 492 Ca 0.91 0.27 -0.04 0.00 0.00 0.00 0.00 60.65 61.79 3fg6 s ILE 492 Cb -0.25 -3.68 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 3fg6 s ILE 492 CO 0.31 0.12 -0.03 -0.63 0.00 0.00 0.00 174.94 174.71 3fg6 s ILE 493 N 1.94 3.48 0.57 2.92 1.01 0.16 -1.20 121.20 130.08 3fg6 s ILE 493 Ca 0.11 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.33 3fg6 s ILE 493 Cb -0.16 -2.59 0.05 0.00 0.01 0.00 0.00 42.46 39.77 3fg6 s ILE 493 CO 0.11 0.42 0.79 -0.31 0.00 0.00 0.00 174.94 175.94 3fg6 s TYR 494 N 1.46 2.47 0.26 3.97 4.12 -0.34 -0.74 117.35 128.56 3fg6 s TYR 494 Ca 0.05 -0.19 -0.04 0.00 0.02 0.00 0.00 57.07 56.92 3fg6 s TYR 494 Cb -0.14 -2.70 0.33 0.00 -1.52 0.00 0.00 41.96 37.92 3fg6 s TYR 494 CO -0.02 -1.00 1.88 -1.00 0.02 0.00 0.00 175.55 175.43 3fg6 h PRO 509 N 0.05 1.10 -5.46 -1.71 0.13 -1.98 -3.40 132.00 120.73 3fg6 h PRO 509 Ca -0.40 -0.13 -0.59 0.00 -0.87 0.00 0.00 66.00 64.01 3fg6 h PRO 509 Cb 1.29 -0.21 -0.10 0.00 0.13 0.00 0.00 31.00 32.10 3fg6 h PRO 509 CO 0.48 0.82 -0.36 0.99 -0.23 0.00 0.00 178.00 179.70 3fg6 s THR 510 N -5.70 5.33 0.01 1.56 2.01 -1.26 -3.71 115.64 113.88 3fg6 s THR 510 Ca -0.12 0.47 0.01 0.00 0.31 0.00 0.00 61.69 62.36 3fg6 s THR 510 Cb 0.17 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 69.08 3fg6 s THR 510 CO 0.81 0.41 -0.03 -0.13 -0.69 0.00 0.00 174.62 174.99 3fg6 s ARG 511 N 0.39 0.27 -0.11 4.92 0.52 -0.34 -4.93 118.95 119.65 3fg6 s ARG 511 Ca 0.15 -0.25 0.02 0.00 -0.52 0.00 0.00 55.73 55.13 3fg6 s ARG 511 Cb -0.13 -0.17 0.01 0.00 0.52 0.00 0.00 34.95 35.18 3fg6 s ARG 511 CO 0.03 0.04 -0.18 -1.17 0.02 0.00 0.00 175.30 174.04 3fg6 s LEU 512 N -0.45 1.85 -0.09 2.53 2.96 -1.26 -0.35 118.68 123.87 3fg6 s LEU 512 Ca -0.03 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 3fg6 s LEU 512 Cb -0.03 -1.19 -0.02 0.00 0.50 0.00 0.00 46.19 45.45 3fg6 s LEU 512 CO -0.00 0.05 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.55 3fg6 s PHE 513 N 0.87 2.69 -0.24 5.38 0.40 -0.16 0.10 117.98 127.02 3fg6 s PHE 513 Ca -0.08 -0.53 -0.10 0.00 -0.60 0.00 0.00 56.93 55.62 3fg6 s PHE 513 Cb -0.15 -1.72 -0.05 0.00 0.51 0.00 0.00 43.02 41.61 3fg6 s PHE 513 CO -0.00 -0.10 0.15 -1.14 0.70 0.00 0.00 175.22 174.82 3fg6 s GLN 514 N -0.09 3.98 -0.26 0.44 0.74 0.22 -1.51 119.66 123.18 3fg6 s GLN 514 Ca -0.03 -0.31 -0.07 0.00 0.05 0.00 0.00 55.36 54.99 3fg6 s GLN 514 Cb -0.14 -3.51 -0.02 0.00 1.10 0.00 0.00 33.01 30.44 3fg6 s GLN 514 CO 0.04 -0.00 0.07 0.08 -0.55 0.00 0.00 175.29 174.92 3fg6 s VAL 515 N 1.22 4.20 -0.01 1.34 1.01 0.13 -0.45 120.40 127.84 3fg6 s VAL 515 Ca 0.07 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3fg6 s VAL 515 Cb -0.14 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.25 3fg6 s VAL 515 CO 0.06 0.30 -0.04 -0.60 0.00 0.00 0.00 175.10 174.82 3fg6 s ARG 516 N 1.59 0.42 -0.07 2.72 3.52 0.05 -2.45 118.95 124.72 3fg6 s ARG 516 Ca 0.06 -0.12 0.02 0.00 -0.13 0.00 0.00 55.73 55.56 3fg6 s ARG 516 Cb -0.15 -0.44 0.01 0.00 -1.56 0.00 0.00 34.95 32.81 3fg6 s ARG 516 CO 0.03 0.04 -0.13 0.50 -0.81 0.00 0.00 175.30 174.93 3fg6 s ARG 517 N 0.20 1.76 -0.09 5.12 3.52 -1.26 -0.81 118.95 127.39 3fg6 s ARG 517 Ca -0.02 -0.44 0.01 0.00 -0.13 0.00 0.00 55.73 55.16 3fg6 s ARG 517 Cb -0.05 -1.44 0.02 0.00 -1.56 0.00 0.00 34.95 31.91 3fg6 s ARG 517 CO -0.00 0.04 -0.10 0.54 -0.81 0.00 0.00 175.30 174.96 3fg6 s ASN 518 N 0.64 1.98 -0.60 -2.12 2.20 -1.26 -4.98 114.94 110.79 3fg6 s ASN 518 Ca -0.15 -0.31 -0.21 0.00 -0.94 0.00 0.00 52.86 51.25 3fg6 s ASN 518 Cb -0.16 -0.85 0.03 0.00 -2.00 0.00 0.00 41.25 38.28 3fg6 s ASN 518 CO 0.04 -0.03 0.64 0.18 -2.94 0.00 0.00 177.10 174.99 3fg6 n LEU 519 N 4.31 -2.98 0.00 3.54 4.77 -1.26 -4.33 117.00 121.05 3fg6 n LEU 519 Ca -0.19 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 3fg6 n LEU 519 Cb 0.51 -1.86 0.00 0.00 -2.33 0.00 0.00 43.42 39.74 3fg6 n LEU 519 CO 0.22 -0.13 0.00 0.00 -1.33 0.00 0.00 177.39 176.15 3fg6 n ALA 520 N -1.16 0.00 -0.65 -1.18 0.00 -1.26 -4.91 120.51 111.35 3fg6 n ALA 520 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3fg6 n ALA 520 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 8.77 0.00 -3.62 0.00 3.41 -1.26 -4.72 113.62 116.20 3fg6 n SER 521 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 3fg6 n SER 521 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 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 0.03 -0.31 -1.33 2.07 -1.26 -5.00 121.20 115.41 3fg6 s ILE 522 Ca 0.00 -0.51 -0.26 0.00 -1.41 0.00 0.00 60.65 58.47 3fg6 s ILE 522 Cb 0.00 -1.31 0.01 0.00 0.13 0.00 0.00 42.46 41.29 3fg6 s ILE 522 CO 0.00 -0.14 0.90 -0.89 -1.91 0.00 0.00 174.94 172.90 3fg6 s THR 523 N -3.82 4.69 -0.22 4.00 2.01 -1.26 -4.49 115.64 116.55 3fg6 s THR 523 Ca 0.05 1.42 -0.14 0.00 0.31 0.00 0.00 61.69 63.34 3fg6 s THR 523 Cb -0.00 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 3fg6 s THR 523 CO -0.08 -0.32 0.31 -0.13 -0.69 0.00 0.00 174.62 173.71 3fg6 s ARG 524 N 3.20 4.13 -0.24 4.92 0.52 0.01 -2.47 118.95 129.02 3fg6 s ARG 524 Ca 0.37 0.02 -0.06 0.00 -0.52 0.00 0.00 55.73 55.55 3fg6 s ARG 524 Cb -0.14 -3.55 -0.01 0.00 0.52 0.00 0.00 34.95 31.77 3fg6 s ARG 524 CO 0.13 -0.02 0.02 0.42 0.02 0.00 0.00 175.30 175.87 3fg6 s ILE 525 N 1.27 3.84 -0.10 1.52 1.01 0.14 -0.77 121.20 128.10 3fg6 s ILE 525 Ca 0.15 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.43 3fg6 s ILE 525 Cb -0.14 -2.80 0.02 0.00 0.01 0.00 0.00 42.46 39.54 3fg6 s ILE 525 CO 0.07 0.35 -0.13 -0.69 0.00 0.00 0.00 174.94 174.54 3fg6 s VAL 526 N 1.54 1.31 0.23 2.92 1.01 0.41 0.38 120.40 128.20 3fg6 s VAL 526 Ca 0.06 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 3fg6 s VAL 526 Cb -0.15 -1.23 -0.09 0.00 0.00 0.00 0.00 36.38 34.91 3fg6 s VAL 526 CO 0.00 0.41 1.37 -0.70 0.00 0.00 0.00 175.10 176.18 3fg6 s GLU 527 N 1.13 4.33 0.33 2.72 2.12 0.08 0.69 118.70 130.10 3fg6 s GLU 527 Ca -0.05 2.18 0.04 0.00 0.36 0.00 0.00 54.97 57.51 3fg6 s GLU 527 Cb -0.14 -3.15 -0.06 0.00 0.26 0.00 0.00 34.13 31.04 3fg6 s GLU 527 CO -0.03 -0.33 0.06 0.14 -0.54 0.00 0.00 175.26 174.56 3fg6 s VAL 528 N 0.00 1.20 0.48 3.70 -7.23 0.12 -4.88 120.40 113.80 3fg6 s VAL 528 Ca 0.58 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.52 3fg6 s VAL 528 Cb -0.39 -2.80 -0.08 0.00 0.56 0.00 0.00 36.38 33.67 3fg6 s VAL 528 CO 0.41 0.00 1.18 0.47 -0.31 0.00 0.00 175.10 176.85 3fg6 n ASP 529 N -0.70 2.00 -2.01 4.85 8.00 -1.26 -4.16 116.55 123.27 3fg6 n ASP 529 Ca -0.02 1.01 -0.13 0.00 0.71 0.00 0.00 54.79 56.35 3fg6 n ASP 529 Cb 0.67 -1.47 -0.11 0.00 -0.02 0.00 0.00 41.12 40.19 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 -0.71 2.90 -4.17 2.53 0.24 -1.26 -4.76 118.33 113.09 3fg6 n VAL 530 Ca 0.09 -1.65 -0.22 0.00 -2.04 0.00 0.00 64.34 60.52 3fg6 n VAL 530 Cb 0.42 -1.80 -0.06 0.00 -1.47 0.00 0.00 33.84 30.93 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 1.56 5.08 0.32 -1.34 1.11 -1.26 -4.62 116.67 117.52 3fg6 s ASP 531 Ca 0.53 -0.45 0.08 0.00 0.18 0.00 0.00 52.55 52.89 3fg6 s ASP 531 Cb 0.28 -1.12 0.54 0.00 1.07 0.00 0.00 42.92 43.68 3fg6 s ASP 531 CO -0.04 -0.06 1.74 0.00 1.18 0.00 0.00 175.17 177.99 3fg6 h ALA 532 N 1.63 1.20 -0.07 5.23 0.00 -1.79 -2.76 119.26 122.69 3fg6 h ALA 532 Ca -0.46 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.06 3fg6 h ALA 532 Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3fg6 h ALA 532 CO 0.61 0.55 0.00 0.27 0.00 0.00 0.00 179.25 180.68 3fg6 n ASN 533 N -4.05 0.47 0.15 0.00 0.23 -1.26 -1.95 115.26 108.84 3fg6 n ASN 533 Ca -0.01 -2.01 0.12 0.00 -0.53 0.00 0.00 54.58 52.15 3fg6 n ASN 533 Cb 0.45 -0.08 0.10 0.00 -2.08 0.00 0.00 39.78 38.17 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 0.42 0.00 -4.18 0.53 0.02 -1.79 -3.38 113.55 105.17 3fg6 h SER 534 Ca 0.00 -0.01 -0.53 0.00 -0.84 0.00 0.00 61.79 60.41 3fg6 h SER 534 Cb 0.14 0.00 0.14 0.00 0.14 0.00 0.00 62.40 62.82 3fg6 h SER 534 CO 0.00 0.01 0.38 -0.76 -1.14 0.00 0.00 176.83 175.32 3fg6 s LEU 535 N -5.62 3.33 -0.21 5.07 1.43 -0.82 -4.91 118.68 116.95 3fg6 s LEU 535 Ca 0.03 2.24 -0.07 0.00 -1.03 0.00 0.00 54.13 55.31 3fg6 s LEU 535 Cb 0.08 -4.58 0.10 0.00 0.03 0.00 0.00 46.19 41.82 3fg6 s LEU 535 CO 0.73 -2.08 0.44 0.21 0.23 0.00 0.00 176.35 175.87 3fg6 s ASN 536 N -2.21 -0.32 0.63 2.29 3.84 -1.26 -2.47 114.94 115.45 3fg6 s ASN 536 Ca 0.72 1.01 0.34 0.00 0.21 0.00 0.00 52.86 55.14 3fg6 s ASN 536 Cb -0.26 1.44 1.88 0.00 -0.55 0.00 0.00 41.25 43.75 3fg6 s ASN 536 CO 0.44 -0.23 2.13 0.28 -2.79 0.00 0.00 177.10 176.93 3fg6 h SER 537 N 8.16 0.00 1.44 -4.21 0.02 -1.80 -1.86 113.55 115.30 3fg6 h SER 537 Ca -0.16 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 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 0.13 0.00 -0.57 -1.13 -1.14 0.00 0.00 176.83 174.12 3fg6 h ASN 538 N 0.00 0.00 -1.04 3.07 -0.73 -1.79 0.83 115.58 115.92 3fg6 h ASN 538 Ca 0.04 0.00 -0.62 0.00 1.87 0.00 0.00 56.30 57.59 3fg6 h ASN 538 Cb 0.40 0.00 -0.10 0.00 0.27 0.00 0.00 38.32 38.89 3fg6 h ASN 538 CO -0.00 0.02 -0.49 -1.81 -0.37 0.00 0.00 177.43 174.78 3fg6 s ASP 539 N -5.76 4.26 -0.02 1.15 1.01 -0.70 -3.49 116.67 113.12 3fg6 s ASP 539 Ca 0.03 -1.35 -0.01 0.00 0.71 0.00 0.00 52.55 51.93 3fg6 s ASP 539 Cb 0.07 0.01 -0.04 0.00 1.01 0.00 0.00 42.92 43.98 3fg6 s ASP 539 CO 0.74 -0.72 0.07 -0.69 0.21 0.00 0.00 175.17 174.78 3fg6 s VAL 540 N -2.74 4.71 0.05 -1.27 1.01 -1.03 -1.93 120.40 119.20 3fg6 s VAL 540 Ca 0.28 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.96 3fg6 s VAL 540 Cb 0.03 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 3fg6 s VAL 540 CO 0.15 0.39 -0.21 -0.36 0.00 0.00 0.00 175.10 175.07 3fg6 s PHE 541 N -1.15 1.81 -0.21 5.22 0.08 0.04 0.21 117.98 123.98 3fg6 s PHE 541 Ca 0.21 -0.38 -0.00 0.00 0.12 0.00 0.00 56.93 56.88 3fg6 s PHE 541 Cb -0.12 -1.07 0.02 0.00 -0.57 0.00 0.00 43.02 41.28 3fg6 s PHE 541 CO 0.12 0.11 -0.13 0.08 -0.10 0.00 0.00 175.22 175.30 3fg6 s VAL 542 N -0.86 2.52 -0.45 -0.44 1.01 -0.57 -0.04 120.40 121.57 3fg6 s VAL 542 Ca 0.07 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 3fg6 s VAL 542 Cb -0.09 -2.15 0.08 0.00 0.00 0.00 0.00 36.38 34.22 3fg6 s VAL 542 CO 0.02 0.41 0.33 -0.22 0.00 0.00 0.00 175.10 175.64 3fg6 s LEU 543 N 1.33 5.41 -0.19 3.92 0.20 0.31 -0.99 118.68 128.66 3fg6 s LEU 543 Ca 0.03 -1.44 -0.24 0.00 0.69 0.00 0.00 54.13 53.18 3fg6 s LEU 543 Cb -0.14 -2.08 -0.02 0.00 -0.43 0.00 0.00 46.19 43.52 3fg6 s LEU 543 CO -0.09 -0.60 0.77 -0.75 -0.29 0.00 0.00 176.35 175.39 3fg6 s LYS 544 N 1.53 4.25 0.40 1.98 2.20 0.52 -1.81 119.74 128.81 3fg6 s LYS 544 Ca 0.04 0.88 -0.00 0.00 -0.36 0.00 0.00 55.97 56.52 3fg6 s LYS 544 Cb -0.24 -3.59 -0.02 0.00 -1.51 0.00 0.00 37.83 32.47 3fg6 s LYS 544 CO 0.04 -0.33 0.62 -0.51 -0.36 0.00 0.00 175.35 174.81 3fg6 s LEU 545 N 2.18 3.84 0.59 5.43 1.43 0.56 -1.20 118.68 131.51 3fg6 s LEU 545 Ca 0.35 0.43 0.35 0.00 -1.03 0.00 0.00 54.13 54.22 3fg6 s LEU 545 Cb -0.16 -3.31 1.86 0.00 0.03 0.00 0.00 46.19 44.61 3fg6 s LEU 545 CO 0.11 -0.48 2.21 -0.65 0.23 0.00 0.00 176.35 177.77 3fg6 h PRO 546 N 0.57 0.00 -0.30 1.29 0.11 -1.85 -2.60 132.00 129.23 3fg6 h PRO 546 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 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 0.04 0.00 0.00 -0.21 0.00 0.00 178.00 178.42 3fg6 n GLN 547 N -3.42 1.52 -3.31 1.05 10.64 -1.26 -4.88 117.38 117.72 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 0.16 -1.23 0.08 0.00 -0.86 0.00 0.00 30.24 28.38 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 -2.82 -3.09 2.61 3.02 -0.98 -5.04 115.26 109.04 3fg6 n ASN 548 Ca 0.06 -0.54 -0.15 0.00 -0.03 0.00 0.00 54.58 53.93 3fg6 n ASN 548 Cb 0.21 -4.59 -0.03 0.00 -0.61 0.00 0.00 39.78 34.76 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 -4.02 1.03 0.00 6.41 1.04 -1.25 -3.03 113.70 113.88 3fg6 s SER 549 Ca 0.11 -1.54 0.00 0.00 0.48 0.00 0.00 55.95 55.00 3fg6 s SER 549 Cb -0.05 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.77 3fg6 s SER 549 CO 0.65 -1.36 0.00 0.61 0.98 0.00 0.00 173.24 174.12 3fg6 n GLY 550 N -0.60 -0.59 3.21 7.32 0.00 -0.61 -0.32 105.19 113.60 3fg6 n GLY 550 Ca 0.01 -1.01 -0.27 0.00 0.00 0.00 0.00 46.02 44.75 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 1.81 -0.34 1.61 2.02 -0.75 -0.51 117.35 118.18 3fg6 s TYR 551 Ca 0.00 -0.35 -0.12 0.00 -0.37 0.00 0.00 57.07 56.24 3fg6 s TYR 551 Cb 0.00 -1.16 -0.00 0.00 -0.40 0.00 0.00 41.96 40.39 3fg6 s TYR 551 CO 0.00 -0.03 0.21 0.42 -1.57 0.00 0.00 175.55 174.58 3fg6 s ILE 552 N -0.46 4.92 -0.44 2.71 1.01 -0.19 -0.53 121.20 128.21 3fg6 s ILE 552 Ca 0.07 -0.44 -0.14 0.00 0.00 0.00 0.00 60.65 60.14 3fg6 s ILE 552 Cb -0.08 -3.58 0.06 0.00 0.01 0.00 0.00 42.46 38.87 3fg6 s ILE 552 CO -0.01 -0.05 0.33 0.86 0.00 0.00 0.00 174.94 176.07 3fg6 s TRP 553 N 1.65 3.26 -0.31 3.97 -0.00 0.94 -0.44 118.94 128.00 3fg6 s TRP 553 Ca 0.05 -0.95 -0.24 0.00 -0.00 0.00 0.00 56.10 54.96 3fg6 s TRP 553 Cb -0.18 -2.93 0.00 0.00 -0.00 0.00 0.00 33.47 30.36 3fg6 s TRP 553 CO 0.08 -0.74 0.80 0.08 -0.00 0.00 0.00 176.95 177.17 3fg6 s VAL 554 N 1.61 4.77 0.85 5.86 1.01 -0.22 -0.78 120.40 133.51 3fg6 s VAL 554 Ca 0.04 1.17 -0.10 0.00 0.00 0.00 0.00 61.98 63.09 3fg6 s VAL 554 Cb -0.22 -4.17 0.11 0.00 0.00 0.00 0.00 36.38 32.10 3fg6 s VAL 554 CO 0.07 -0.28 1.12 -0.83 0.00 0.00 0.00 175.10 175.17 3fg6 s GLY 555 N 1.65 1.68 0.37 4.51 0.00 -0.81 -1.68 107.32 113.02 3fg6 s GLY 555 Ca 0.33 0.42 0.11 0.00 0.00 0.00 0.00 44.72 45.58 3fg6 s GLY 555 CO 0.13 0.81 1.83 0.50 0.00 0.00 0.00 173.10 176.37 3fg6 h LYS 556 N -1.55 0.06 -0.87 2.90 1.57 -1.39 -3.08 116.57 114.22 3fg6 h LYS 556 Ca -0.44 -0.02 -0.61 0.00 -1.87 0.00 0.00 60.65 57.71 3fg6 h LYS 556 Cb 1.25 -0.00 -0.37 0.00 0.08 0.00 0.00 32.23 33.19 3fg6 h LYS 556 CO 0.46 0.40 -0.08 0.41 -0.57 0.00 0.00 179.45 180.07 3fg6 n GLY 557 N -0.50 6.17 3.88 3.86 0.00 0.22 -4.78 105.19 114.05 3fg6 n GLY 557 Ca -0.02 -2.52 -0.37 0.00 0.00 0.00 0.00 46.02 43.12 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 -3.70 3.88 0.63 4.61 0.00 -1.17 -4.37 121.76 121.65 3fg6 s ALA 558 Ca 0.57 -0.63 -0.11 0.00 0.00 0.00 0.00 51.96 51.79 3fg6 s ALA 558 Cb 0.45 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 3fg6 s ALA 558 CO 0.01 0.62 1.04 -1.54 0.00 0.00 0.00 175.76 175.89 3fg6 s SER 559 N -1.10 6.07 0.33 0.00 1.04 -1.26 -4.98 113.70 113.79 3fg6 s SER 559 Ca 0.16 1.46 0.04 0.00 0.48 0.00 0.00 55.95 58.09 3fg6 s SER 559 Cb -0.12 -2.47 0.57 0.00 0.10 0.00 0.00 66.02 64.09 3fg6 s SER 559 CO 0.06 -0.98 1.84 -0.61 0.98 0.00 0.00 173.24 174.52 3fg6 h GLN 560 N -0.40 0.49 -0.25 4.02 5.75 -2.00 -2.48 115.11 120.25 3fg6 h GLN 560 Ca -0.44 -0.12 -0.05 0.00 -0.15 0.00 0.00 58.65 57.88 3fg6 h GLN 560 Cb 1.19 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.67 3fg6 h GLN 560 CO 0.61 0.58 -0.07 0.93 -2.65 0.00 0.00 178.83 178.22 3fg6 h GLU 561 N 0.46 0.39 -0.11 1.69 3.07 -2.00 -1.86 114.58 116.22 3fg6 h GLU 561 Ca 0.09 -0.09 -0.14 0.00 -0.50 0.00 0.00 59.36 58.73 3fg6 h GLU 561 Cb 0.42 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 3fg6 h GLU 561 CO 0.02 0.47 -0.52 0.93 -1.40 0.00 0.00 179.01 178.51 3fg6 h GLU 562 N 0.37 0.32 -0.26 2.33 5.08 -1.81 -2.03 114.58 118.59 3fg6 h GLU 562 Ca 0.08 -0.19 -0.14 0.00 -1.00 0.00 0.00 59.36 58.10 3fg6 h GLU 562 Cb 0.36 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3fg6 h GLU 562 CO 0.02 0.77 -0.42 1.49 -1.00 0.00 0.00 179.01 179.86 3fg6 h GLU 563 N 0.25 0.62 -0.70 2.33 4.81 -1.14 -1.75 114.58 119.01 3fg6 h GLU 563 Ca 0.01 -0.33 -0.05 0.00 -0.13 0.00 0.00 59.36 58.86 3fg6 h GLU 563 Cb 1.00 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 3fg6 h GLU 563 CO 0.09 0.93 0.23 0.87 -0.73 0.00 0.00 179.01 180.40 3fg6 h LYS 564 N 0.51 1.07 -0.23 1.92 1.57 -1.19 -1.43 116.57 118.80 3fg6 h LYS 564 Ca 0.04 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.61 3fg6 h LYS 564 Cb 0.94 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 3fg6 h LYS 564 CO 0.08 0.91 0.12 0.78 -0.57 0.00 0.00 179.45 180.78 3fg6 h GLY 565 N 1.01 0.31 0.25 3.86 0.00 -1.27 -1.54 103.07 105.69 3fg6 h GLY 565 Ca 0.23 -0.09 0.06 0.00 0.00 0.00 0.00 47.33 47.52 3fg6 h GLY 565 CO -0.01 0.08 -0.21 0.00 0.00 0.00 0.00 176.54 176.40 3fg6 h ALA 566 N 1.11 -0.09 0.00 3.60 0.00 -1.08 -0.90 119.26 121.90 3fg6 h ALA 566 Ca 0.09 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3fg6 h ALA 566 Cb 0.01 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3fg6 h ALA 566 CO -0.05 -0.64 -0.01 0.93 0.00 0.00 0.00 179.25 179.48 3fg6 h GLU 567 N -0.22 0.00 -0.00 0.00 5.08 -1.02 -2.11 114.58 116.30 3fg6 h GLU 567 Ca 0.13 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 3fg6 h GLU 567 Cb 0.42 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.67 3fg6 h GLU 567 CO -0.34 0.01 -0.39 -0.92 -1.00 0.00 0.00 179.01 176.37 3fg6 h TYR 568 N 0.00 0.40 -0.80 4.33 3.20 -0.14 -3.14 116.97 120.81 3fg6 h TYR 568 Ca -0.00 -0.21 -0.00 0.00 3.14 0.00 0.00 58.73 61.66 3fg6 h TYR 568 Cb 0.03 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 3fg6 h TYR 568 CO 0.00 1.02 0.50 0.28 -1.64 0.00 0.00 178.16 178.32 3fg6 h VAL 569 N -0.34 1.22 -0.61 1.81 2.07 -0.91 -2.35 116.25 117.14 3fg6 h VAL 569 Ca -0.05 -0.47 0.13 0.00 0.82 0.00 0.00 66.70 67.13 3fg6 h VAL 569 Cb 1.12 0.08 -0.11 0.00 -1.52 0.00 0.00 31.29 30.87 3fg6 h VAL 569 CO 0.08 0.23 -0.03 0.00 0.02 0.00 0.00 177.57 177.87 3fg6 h ALA 570 N 1.27 0.57 0.00 1.67 0.00 -1.48 0.50 119.26 121.79 3fg6 h ALA 570 Ca 0.29 0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.30 3fg6 h ALA 570 Cb -0.06 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3fg6 h ALA 570 CO -0.06 -0.40 -0.45 0.66 0.00 0.00 0.00 179.25 179.01 3fg6 h SER 571 N 0.09 0.00 0.09 0.00 4.64 -1.39 -0.71 113.55 116.28 3fg6 h SER 571 Ca 0.32 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.47 3fg6 h SER 571 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3fg6 h SER 571 CO -0.55 0.45 -0.59 0.58 -0.87 0.00 0.00 176.83 175.85 3fg6 h VAL 572 N 0.00 1.33 -0.01 0.95 2.07 -0.63 -3.08 116.25 116.89 3fg6 h VAL 572 Ca -0.00 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 65.64 3fg6 h VAL 572 Cb 0.82 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 3fg6 h VAL 572 CO 0.06 0.58 -0.06 0.18 0.02 0.00 0.00 177.57 178.35 3fg6 n LEU 573 N -3.93 0.81 -3.71 2.57 4.77 0.01 -4.94 117.00 112.58 3fg6 n LEU 573 Ca -0.03 -0.21 -0.26 0.00 -0.03 0.00 0.00 56.01 55.47 3fg6 n LEU 573 Cb 0.63 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.68 3fg6 n LEU 573 CO 0.47 0.14 -0.10 0.29 -1.33 0.00 0.00 177.39 176.86 3fg6 n LYS 574 N -0.51 -2.68 -4.78 3.23 5.02 -0.64 -4.98 118.16 112.82 3fg6 n LYS 574 Ca 0.18 0.52 -0.33 0.00 -2.02 0.00 0.00 58.31 56.67 3fg6 n LYS 574 Cb 0.28 -4.62 -0.16 0.00 -0.02 0.00 0.00 35.03 30.51 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 0.59 3.19 0.01 0.00 2.20 -1.17 -4.68 119.74 119.89 3fg6 s LYS 576 Ca -0.10 -0.62 -0.03 0.00 -0.36 0.00 0.00 55.97 54.86 3fg6 s LYS 576 Cb -0.16 -4.15 -0.04 0.00 -1.51 0.00 0.00 37.83 31.97 3fg6 s LYS 576 CO 0.03 -1.65 0.21 0.95 -0.36 0.00 0.00 175.35 174.53 3fg6 s THR 577 N 3.92 5.40 -0.13 3.43 -4.23 -1.26 -1.57 115.64 121.20 3fg6 s THR 577 Ca 0.25 -0.16 -0.02 0.00 -1.18 0.00 0.00 61.69 60.58 3fg6 s THR 577 Cb -0.15 -3.57 -0.03 0.00 1.34 0.00 0.00 72.50 70.09 3fg6 s THR 577 CO 0.14 0.28 -0.05 -0.22 -0.54 0.00 0.00 174.62 174.22 3fg6 s LEU 578 N -2.07 3.19 -0.32 4.79 2.96 0.34 -4.93 118.68 122.63 3fg6 s LEU 578 Ca 0.30 -0.11 -0.21 0.00 -0.22 0.00 0.00 54.13 53.89 3fg6 s LEU 578 Cb -0.13 -1.74 -0.00 0.00 0.50 0.00 0.00 46.19 44.82 3fg6 s LEU 578 CO 0.21 0.23 0.67 -0.60 -1.32 0.00 0.00 176.35 175.54 3fg6 s ARG 579 N -0.02 3.84 0.10 1.98 3.52 -1.26 -1.03 118.95 126.07 3fg6 s ARG 579 Ca 0.00 0.28 0.10 0.00 -0.13 0.00 0.00 55.73 55.99 3fg6 s ARG 579 Cb -0.13 -3.76 -0.04 0.00 -1.56 0.00 0.00 34.95 29.47 3fg6 s ARG 579 CO 0.03 -0.66 -0.26 0.96 -0.81 0.00 0.00 175.30 174.56 3fg6 s ILE 580 N 2.74 2.17 0.09 4.11 -4.36 0.41 -4.96 121.20 121.40 3fg6 s ILE 580 Ca 0.27 -1.60 0.05 0.00 -0.26 0.00 0.00 60.65 59.11 3fg6 s ILE 580 Cb -0.14 -1.90 -0.04 0.00 1.25 0.00 0.00 42.46 41.63 3fg6 s ILE 580 CO 0.13 0.18 -0.01 -1.58 0.24 0.00 0.00 174.94 173.91 3fg6 s GLN 581 N -1.73 2.50 0.09 0.37 0.74 -1.26 -1.05 119.66 119.32 3fg6 s GLN 581 Ca 0.13 -0.86 -0.33 0.00 0.05 0.00 0.00 55.36 54.34 3fg6 s GLN 581 Cb -0.10 -2.51 -0.12 0.00 1.10 0.00 0.00 33.01 31.37 3fg6 s GLN 581 CO 0.04 0.53 1.74 -1.91 -0.55 0.00 0.00 175.29 175.15 3fg6 n GLU 582 N 0.55 2.40 0.00 1.67 2.13 -0.68 -0.67 120.64 126.04 3fg6 n GLU 582 Ca -0.11 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.58 3fg6 n GLU 582 Cb 0.52 -2.70 0.00 0.00 0.27 0.00 0.00 31.44 29.53 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 3.94 3.29 0.89 8.31 0.00 -1.26 -4.86 105.19 115.50 3fg6 n GLY 583 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.55 1.98 -2.15 1.61 4.71 0.15 -5.04 120.64 120.35 3fg6 n GLU 584 Ca 0.00 -3.05 -0.41 0.00 -0.01 0.00 0.00 57.16 53.68 3fg6 n GLU 584 Cb 0.00 -1.76 -0.03 0.00 -1.01 0.00 0.00 31.44 28.64 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 -3.11 4.34 1.07 3.49 8.01 -1.17 -4.50 118.70 126.83 3fg6 s GLU 585 Ca 0.42 2.13 -0.15 0.00 0.01 0.00 0.00 54.97 57.38 3fg6 s GLU 585 Cb 0.37 -3.18 0.22 0.00 -4.31 0.00 0.00 34.13 27.23 3fg6 s GLU 585 CO 0.01 -0.34 1.11 -1.25 0.01 0.00 0.00 175.26 174.80 3fg6 s PRO 586 N 0.06 -0.12 0.41 0.39 0.04 -1.26 -4.97 135.00 129.56 3fg6 s PRO 586 Ca 0.59 0.27 0.23 0.00 0.04 0.00 0.00 61.00 62.13 3fg6 s PRO 586 Cb -0.38 -1.69 0.32 0.00 0.04 0.00 0.00 34.50 32.78 3fg6 s PRO 586 CO 0.38 -3.05 1.56 1.49 0.04 0.00 0.00 177.00 177.42 3fg6 h GLU 587 N -2.11 0.00 0.00 4.56 4.57 -2.02 -3.21 114.58 116.36 3fg6 h GLU 587 Ca -0.51 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 57.61 3fg6 h GLU 587 Cb 1.32 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.90 3fg6 h GLU 587 CO 0.50 0.00 -0.27 1.49 -1.18 0.00 0.00 179.01 179.55 3fg6 h GLU 588 N 0.00 0.00 -0.66 1.92 4.81 -1.99 -2.98 114.58 115.68 3fg6 h GLU 588 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3fg6 h GLU 588 Cb 0.99 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 3fg6 h GLU 588 CO 0.00 0.27 0.41 0.35 -0.73 0.00 0.00 179.01 179.31 3fg6 h PHE 589 N 0.00 0.85 -0.24 0.92 3.04 -1.94 -1.96 116.94 117.61 3fg6 h PHE 589 Ca -0.00 0.00 -0.14 0.00 3.98 0.00 0.00 57.97 61.81 3fg6 h PHE 589 Cb 1.02 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 39.24 3fg6 h PHE 589 CO 0.00 0.57 -0.44 -1.49 -2.02 0.00 0.00 178.31 174.92 3fg6 h TRP 590 N 0.89 0.73 -0.39 0.41 -0.00 -1.70 -3.02 115.95 112.87 3fg6 h TRP 590 Ca 0.24 -0.22 -0.03 0.00 -0.00 0.00 0.00 58.89 58.88 3fg6 h TRP 590 Cb -0.05 -0.15 -0.02 0.00 -0.00 0.00 0.00 29.16 28.94 3fg6 h TRP 590 CO -0.02 0.94 0.12 -0.91 -0.00 0.00 0.00 178.44 178.57 3fg6 h ASN 591 N 0.49 0.51 1.47 -3.49 4.21 -1.34 0.39 115.58 117.81 3fg6 h ASN 591 Ca 0.03 -0.06 -0.06 0.00 1.21 0.00 0.00 56.30 57.42 3fg6 h ASN 591 Cb 0.96 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 38.02 3fg6 h ASN 591 CO 0.09 0.49 -0.30 0.28 -1.29 0.00 0.00 177.43 176.70 3fg6 h SER 592 N 0.55 0.00 0.01 5.81 0.02 -1.29 -2.67 113.55 115.98 3fg6 h SER 592 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3fg6 h SER 592 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3fg6 h SER 592 CO -0.01 0.30 -0.02 0.18 -1.14 0.00 0.00 176.83 176.14 3fg6 n LEU 593 N -3.23 1.38 -0.84 5.07 4.77 -1.02 -4.94 117.00 118.19 3fg6 n LEU 593 Ca 0.02 -0.45 -0.03 0.00 -0.03 0.00 0.00 56.01 55.52 3fg6 n LEU 593 Cb 0.60 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.69 3fg6 n LEU 593 CO 0.37 0.23 0.03 0.61 -1.33 0.00 0.00 177.39 177.30 3fg6 n GLY 594 N 1.18 0.77 0.00 -0.72 0.00 -0.94 -3.99 105.19 101.49 3fg6 n GLY 594 Ca 0.19 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.68 2.68 3.65 -0.02 0.00 0.13 -4.98 105.19 105.97 3fg6 n GLY 595 Ca 0.00 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 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 -3.94 4.15 0.28 1.61 2.20 -1.26 -4.51 119.74 118.27 3fg6 s LYS 596 Ca 0.00 1.12 0.11 0.00 -0.36 0.00 0.00 55.97 56.84 3fg6 s LYS 596 Cb 0.00 -3.68 -0.05 0.00 -1.51 0.00 0.00 37.83 32.59 3fg6 s LYS 596 CO 0.00 -0.70 -0.12 0.15 -0.36 0.00 0.00 175.35 174.32 3fg6 s LYS 597 N 3.26 1.92 -0.14 4.03 1.02 -1.26 -5.10 119.74 123.47 3fg6 s LYS 597 Ca 0.42 -1.65 -0.29 0.00 0.02 0.00 0.00 55.97 54.47 3fg6 s LYS 597 Cb -0.14 -1.91 -0.03 0.00 -0.52 0.00 0.00 37.83 35.23 3fg6 s LYS 597 CO 0.10 0.33 1.42 -0.51 -0.92 0.00 0.00 175.35 175.77 3fg6 s ASP 598 N -3.58 6.79 0.26 2.83 -0.00 -1.26 -4.71 116.67 117.00 3fg6 s ASP 598 Ca 0.31 1.83 0.03 0.00 -0.00 0.00 0.00 52.55 54.72 3fg6 s ASP 598 Cb -0.05 -2.54 0.03 0.00 -0.00 0.00 0.00 42.92 40.36 3fg6 s ASP 598 CO 0.17 -0.88 0.23 0.00 -0.00 0.00 0.00 175.17 174.70 3fg6 n TYR 599 N 7.00 -1.48 -1.98 4.23 0.18 -1.26 -4.68 117.16 119.16 3fg6 n TYR 599 Ca 0.15 -1.04 -0.42 0.00 1.88 0.00 0.00 57.90 58.47 3fg6 n TYR 599 Cb 0.44 -0.22 -0.03 0.00 -0.38 0.00 0.00 39.34 39.16 3fg6 n TYR 599 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 3fg6 s GLN 600 N -3.08 3.19 0.18 -3.48 -0.21 -1.03 -4.92 119.66 110.32 3fg6 s GLN 600 Ca 0.18 1.32 -0.13 0.00 0.02 0.00 0.00 55.36 56.75 3fg6 s GLN 600 Cb -0.01 -4.24 0.01 0.00 1.00 0.00 0.00 33.01 29.77 3fg6 s GLN 600 CO 0.11 -2.03 0.41 -0.08 -2.12 0.00 0.00 175.29 171.59 3fg6 s THR 601 N 7.38 0.04 0.12 -0.19 -1.32 -1.26 -2.73 115.64 117.69 3fg6 s THR 601 Ca 0.79 -1.10 -0.26 0.00 -1.21 0.00 0.00 61.69 59.91 3fg6 s THR 601 Cb -0.21 -1.74 0.08 0.00 -1.51 0.00 0.00 72.50 69.11 3fg6 s THR 601 CO 0.32 -0.19 1.04 -0.94 -2.21 0.00 0.00 174.62 172.64 3fg6 s SER 602 N -2.93 -0.12 0.24 8.08 1.04 -1.26 -4.25 113.70 114.49 3fg6 s SER 602 Ca 0.14 -0.38 -0.05 0.00 0.48 0.00 0.00 55.95 56.14 3fg6 s SER 602 Cb 0.01 0.42 0.42 0.00 0.10 0.00 0.00 66.02 66.96 3fg6 s SER 602 CO -0.01 -0.78 1.76 -0.65 0.98 0.00 0.00 173.24 174.54 3fg6 h PRO 603 N 2.00 0.52 0.00 4.02 0.11 -2.00 -0.97 132.00 135.68 3fg6 h PRO 603 Ca -0.26 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.73 3fg6 h PRO 603 Cb 1.22 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3fg6 h PRO 603 CO 0.27 0.34 -0.49 1.25 -0.21 0.00 0.00 178.00 179.17 3fg6 h LEU 604 N 0.54 0.00 0.16 2.35 5.85 -1.96 -2.89 115.31 119.35 3fg6 h LEU 604 Ca 0.39 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.87 3fg6 h LEU 604 Cb 0.52 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.58 3fg6 h LEU 604 CO -0.34 0.44 -1.06 -0.07 -0.34 0.00 0.00 178.44 177.08 3fg6 h LEU 605 N 0.00 0.66 -0.78 2.25 3.38 -1.90 -3.16 115.31 115.76 3fg6 h LEU 605 Ca -0.01 -0.90 0.18 0.00 0.09 0.00 0.00 57.88 57.23 3fg6 h LEU 605 Cb 1.35 -0.21 -0.14 0.00 0.09 0.00 0.00 40.66 41.74 3fg6 h LEU 605 CO 0.06 1.51 -0.06 -0.33 0.09 0.00 0.00 178.44 179.70 3fg6 h GLU 606 N -0.09 0.06 -7.36 1.13 5.08 -1.25 -3.13 114.58 109.02 3fg6 h GLU 606 Ca -0.18 -0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.68 3fg6 h GLU 606 Cb 1.81 -0.01 0.06 0.00 0.50 0.00 0.00 28.75 31.11 3fg6 h GLU 606 CO 0.20 0.04 0.40 -0.08 -1.00 0.00 0.00 179.01 178.57 3fg6 s THR 607 N -6.15 4.42 -0.15 1.13 -1.32 -1.09 -0.61 115.64 111.88 3fg6 s THR 607 Ca -0.14 0.75 0.18 0.00 -1.21 0.00 0.00 61.69 61.27 3fg6 s THR 607 Cb 0.23 -3.77 -0.25 0.00 -1.51 0.00 0.00 72.50 67.19 3fg6 s THR 607 CO 0.76 -1.01 0.29 1.67 -2.21 0.00 0.00 174.62 174.11 3fg6 n GLN 608 N -2.78 0.67 -0.85 7.08 7.27 -1.26 -4.51 117.38 122.99 3fg6 n GLN 608 Ca 0.06 0.01 -0.30 0.00 0.07 0.00 0.00 57.00 56.84 3fg6 n GLN 608 Cb 0.55 -1.58 -0.03 0.00 2.41 0.00 0.00 30.24 31.59 3fg6 n GLN 608 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3fg6 n ALA 609 N -2.60 -2.19 0.05 1.69 0.00 -1.26 -4.94 120.51 111.26 3fg6 n ALA 609 Ca -0.24 0.29 -0.22 0.00 0.00 0.00 0.00 53.44 53.27 3fg6 n ALA 609 Cb 1.01 -0.98 -0.15 0.00 0.00 0.00 0.00 19.45 19.33 3fg6 n ALA 609 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3fg6 h GLU 610 N 0.90 0.34 0.00 0.00 4.11 -2.00 -3.45 114.58 114.49 3fg6 h GLU 610 Ca -0.20 -0.58 0.00 0.00 0.07 0.00 0.00 59.36 58.64 3fg6 h GLU 610 Cb 0.86 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3fg6 h GLU 610 CO 0.35 1.25 0.00 -0.25 0.07 0.00 0.00 179.01 180.44 3fg6 n ASP 611 N -3.54 0.00 -3.73 3.06 10.43 -1.26 -2.35 116.55 119.17 3fg6 n ASP 611 Ca -0.25 0.00 -0.28 0.00 2.57 0.00 0.00 54.79 56.83 3fg6 n ASP 611 Cb 1.07 0.00 -0.11 0.00 1.84 0.00 0.00 41.12 43.92 3fg6 n ASP 611 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 3fg6 n HIS 612 N 0.00 3.09 -1.80 1.24 8.25 -1.26 -5.10 115.22 119.65 3fg6 n HIS 612 Ca 0.00 -4.21 -0.41 0.00 -0.26 0.00 0.00 57.72 52.84 3fg6 n HIS 612 Cb 0.00 -0.56 -0.00 0.00 1.12 0.00 0.00 29.99 30.55 3fg6 n HIS 612 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3fg6 s PRO 613 N -1.68 4.10 0.38 -0.41 0.04 -0.99 -4.71 135.00 131.74 3fg6 s PRO 613 Ca 0.30 2.58 -0.27 0.00 0.04 0.00 0.00 61.00 63.65 3fg6 s PRO 613 Cb 0.02 -2.97 -0.11 0.00 0.04 0.00 0.00 34.50 31.48 3fg6 s PRO 613 CO -0.13 -0.54 1.28 -0.35 0.04 0.00 0.00 177.00 177.30 3fg6 n PRO 614 N 0.49 2.03 -5.04 0.56 -0.04 -1.26 -4.98 135.00 126.76 3fg6 n PRO 614 Ca 0.01 0.72 -0.29 0.00 -0.04 0.00 0.00 63.50 63.89 3fg6 n PRO 614 Cb 0.39 -2.36 -0.17 0.00 -0.04 0.00 0.00 33.50 31.33 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 -2.05 2.46 -0.10 0.54 0.52 -0.81 -5.00 118.95 114.51 3fg6 s ARG 615 Ca 0.58 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 55.05 3fg6 s ARG 615 Cb -0.54 -1.97 -0.02 0.00 0.52 0.00 0.00 34.95 32.95 3fg6 s ARG 615 CO 0.60 0.20 -0.11 -1.17 0.02 0.00 0.00 175.30 174.85 3fg6 s LEU 616 N 0.24 2.88 0.04 2.53 2.96 -1.26 -1.03 118.68 125.04 3fg6 s LEU 616 Ca -0.12 -0.21 0.08 0.00 -0.22 0.00 0.00 54.13 53.65 3fg6 s LEU 616 Cb -0.16 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 3fg6 s LEU 616 CO 0.06 0.24 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.80 3fg6 s TYR 617 N -0.09 1.95 -0.33 5.38 1.51 0.88 -0.80 117.35 125.84 3fg6 s TYR 617 Ca -0.01 -0.38 -0.12 0.00 -1.01 0.00 0.00 57.07 55.55 3fg6 s TYR 617 Cb -0.14 -1.18 -0.01 0.00 -0.11 0.00 0.00 41.96 40.53 3fg6 s TYR 617 CO 0.03 0.08 0.21 0.20 -1.11 0.00 0.00 175.55 174.97 3fg6 s GLY 618 N -1.10 1.93 -0.26 0.71 0.00 0.26 -1.01 107.32 107.85 3fg6 s GLY 618 Ca 0.09 -1.40 -0.07 0.00 0.00 0.00 0.00 44.72 43.34 3fg6 s GLY 618 CO 0.01 0.75 0.06 0.00 0.00 0.00 0.00 173.10 173.93 3fg6 s SER 620 N 1.57 0.31 -0.06 0.00 0.15 -0.87 -1.74 113.70 113.06 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 0.29 0.23 0.00 -1.71 0.00 0.00 66.02 64.67 3fg6 s SER 620 CO 0.03 -0.70 1.11 -0.46 1.20 0.00 0.00 173.24 174.41 3fg6 n ASN 621 N -0.02 1.00 0.27 5.45 2.04 -1.26 -0.29 115.26 122.45 3fg6 n ASN 621 Ca -0.11 -2.51 0.15 0.00 -0.44 0.00 0.00 54.58 51.67 3fg6 n ASN 621 Cb 0.62 -0.32 0.76 0.00 -2.53 0.00 0.00 39.78 38.31 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 0.38 0.00 -0.33 -3.83 2.10 -1.98 -2.01 116.57 110.90 3fg6 h LYS 622 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 3fg6 h LYS 622 Cb 1.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.71 3fg6 h LYS 622 CO 0.02 0.09 0.00 0.25 -2.00 0.00 0.00 179.45 177.82 3fg6 n THR 623 N -3.41 0.45 0.00 0.07 -2.24 -1.26 -4.96 114.28 102.93 3fg6 n THR 623 Ca -0.01 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3fg6 n THR 623 Cb 0.25 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 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 0.94 2.08 3.80 3.38 0.00 -0.75 -4.99 105.19 109.65 3fg6 n GLY 624 Ca 0.10 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 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 3.69 -0.42 1.61 1.81 -1.26 -4.92 118.95 119.46 3fg6 s ARG 625 Ca 0.00 1.26 -0.26 0.00 -1.72 0.00 0.00 55.73 55.01 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 -0.51 0.95 0.12 -0.68 0.00 0.00 175.30 175.18 3fg6 s PHE 626 N -2.20 2.98 -0.09 -0.53 5.36 -1.26 -4.33 117.98 117.91 3fg6 s PHE 626 Ca 0.65 0.59 0.04 0.00 -0.96 0.00 0.00 56.93 57.26 3fg6 s PHE 626 Cb -0.15 -3.89 -0.00 0.00 -0.34 0.00 0.00 43.02 38.64 3fg6 s PHE 626 CO 0.26 -1.00 -0.24 0.14 -1.46 0.00 0.00 175.22 172.92 3fg6 s VAL 627 N 3.72 2.12 -0.25 3.12 -7.23 0.60 -4.97 120.40 117.51 3fg6 s VAL 627 Ca 0.39 -1.01 -0.11 0.00 -1.81 0.00 0.00 61.98 59.44 3fg6 s VAL 627 Cb -0.11 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 3fg6 s VAL 627 CO 0.24 0.56 0.18 -0.63 -0.31 0.00 0.00 175.10 175.14 3fg6 s ILE 628 N 0.23 5.34 0.02 -0.62 1.01 -1.26 -2.04 121.20 123.87 3fg6 s ILE 628 Ca -0.15 0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.75 3fg6 s ILE 628 Cb -0.17 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 3fg6 s ILE 628 CO 0.08 0.32 -0.13 -1.83 0.00 0.00 0.00 174.94 173.37 3fg6 s GLU 629 N 1.25 0.93 0.27 2.79 -1.05 -0.14 -4.96 118.70 117.79 3fg6 s GLU 629 Ca 0.08 -0.62 -0.29 0.00 -0.15 0.00 0.00 54.97 53.99 3fg6 s GLU 629 Cb -0.14 -0.91 -0.09 0.00 -0.44 0.00 0.00 34.13 32.55 3fg6 s GLU 629 CO 0.06 0.23 0.95 -2.00 0.95 0.00 0.00 175.26 175.46 3fg6 s GLU 630 N -0.81 4.74 -0.20 -4.83 2.12 -1.26 0.92 118.70 119.38 3fg6 s GLU 630 Ca 0.02 1.45 -0.29 0.00 0.36 0.00 0.00 54.97 56.51 3fg6 s GLU 630 Cb -0.07 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.23 3fg6 s GLU 630 CO 0.01 0.41 1.06 0.42 -0.54 0.00 0.00 175.26 176.62 3fg6 s ILE 631 N -1.33 4.64 0.33 -3.70 -1.09 0.02 -4.85 121.20 115.22 3fg6 s ILE 631 Ca 0.45 1.97 -0.19 0.00 -2.23 0.00 0.00 60.65 60.64 3fg6 s ILE 631 Cb -0.24 -4.27 -0.10 0.00 -1.58 0.00 0.00 42.46 36.28 3fg6 s ILE 631 CO 0.30 -0.14 0.83 -2.16 -1.23 0.00 0.00 174.94 172.53 3fg6 s PRO 632 N 3.04 4.21 2.36 2.79 0.04 -1.26 -4.73 135.00 141.44 3fg6 s PRO 632 Ca 0.46 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.44 3fg6 s PRO 632 Cb -0.16 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.87 3fg6 s PRO 632 CO 0.09 0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.71 3fg6 n GLY 633 N -0.08 -1.05 3.77 0.56 0.00 -1.26 -4.74 105.19 102.39 3fg6 n GLY 633 Ca 0.03 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 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 4.20 0.18 1.61 0.41 -1.26 -5.04 118.70 118.80 3fg6 s GLU 634 Ca 0.00 2.20 0.09 0.00 -0.41 0.00 0.00 54.97 56.85 3fg6 s GLU 634 Cb 0.00 -2.94 -0.04 0.00 -1.78 0.00 0.00 34.13 29.36 3fg6 s GLU 634 CO 0.00 -0.31 -0.10 -0.59 -0.49 0.00 0.00 175.26 173.76 3fg6 s PHE 635 N -1.19 2.61 0.35 1.61 -0.12 -1.26 -4.66 117.98 115.31 3fg6 s PHE 635 Ca 0.52 -0.23 0.08 0.00 -0.05 0.00 0.00 56.93 57.25 3fg6 s PHE 635 Cb -0.39 -1.27 -0.03 0.00 -0.63 0.00 0.00 43.02 40.70 3fg6 s PHE 635 CO 0.51 0.51 0.28 0.95 -0.05 0.00 0.00 175.22 177.43 3fg6 s THR 636 N -1.71 0.04 0.27 -4.49 -4.23 -1.26 -4.78 115.64 99.48 3fg6 s THR 636 Ca 0.25 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.77 3fg6 s THR 636 Cb -0.09 -2.48 0.26 0.00 1.34 0.00 0.00 72.50 71.53 3fg6 s THR 636 CO 0.15 0.00 1.73 -0.61 -0.54 0.00 0.00 174.62 175.35 3fg6 h GLN 637 N 2.07 0.51 0.00 3.99 4.15 -1.96 -1.32 115.11 122.55 3fg6 h GLN 637 Ca -0.25 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.14 3fg6 h GLN 637 Cb 1.23 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.81 3fg6 h GLN 637 CO 0.37 0.34 0.00 -0.25 -1.93 0.00 0.00 178.83 177.35 3fg6 n ASP 638 N -4.95 0.06 0.21 -0.69 9.92 -1.26 -1.96 116.55 117.88 3fg6 n ASP 638 Ca 0.19 0.51 0.14 0.00 -0.53 0.00 0.00 54.79 55.10 3fg6 n ASP 638 Cb 0.53 -0.53 0.40 0.00 -0.64 0.00 0.00 41.12 40.89 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 -2.42 -2.24 3.32 -1.65 -3.42 116.42 110.01 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 0.30 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 3fg6 h ASP 639 CO 0.00 0.00 1.23 -0.76 -1.72 0.00 0.00 179.24 177.99 3fg6 s LEU 640 N -5.76 3.36 -0.41 1.55 1.43 -0.83 -4.92 118.68 113.10 3fg6 s LEU 640 Ca 0.05 0.45 -0.27 0.00 -1.03 0.00 0.00 54.13 53.34 3fg6 s LEU 640 Cb 0.08 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 3fg6 s LEU 640 CO 0.59 -1.99 1.99 0.00 0.23 0.00 0.00 176.35 177.17 3fg6 s ALA 641 N 7.44 2.45 0.49 4.21 0.00 -1.26 -4.85 121.76 130.23 3fg6 s ALA 641 Ca 0.63 0.08 0.30 0.00 0.00 0.00 0.00 51.96 52.96 3fg6 s ALA 641 Cb -0.13 -4.15 1.39 0.00 0.00 0.00 0.00 23.12 20.22 3fg6 s ALA 641 CO 0.24 -3.30 1.78 1.49 0.00 0.00 0.00 175.76 175.98 3fg6 h GLU 642 N 14.95 0.14 -0.60 0.00 4.81 -1.93 -0.76 114.58 131.20 3fg6 h GLU 642 Ca -0.31 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3fg6 h GLU 642 Cb 1.20 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3fg6 h GLU 642 CO 1.09 0.09 0.00 -0.40 -0.73 0.00 0.00 179.01 179.06 3fg6 n ASP 643 N -4.36 4.37 -0.89 1.04 5.75 -1.26 -2.61 116.55 118.59 3fg6 n ASP 643 Ca 0.26 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.67 3fg6 n ASP 643 Cb 1.13 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 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 1.01 0.25 -4.44 -1.12 10.43 -0.29 -3.86 116.55 118.53 3fg6 n ASP 644 Ca 0.24 -0.79 -0.33 0.00 2.57 0.00 0.00 54.79 56.48 3fg6 n ASP 644 Cb 0.80 0.00 -0.14 0.00 1.84 0.00 0.00 41.12 43.62 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 -1.63 3.02 -0.11 2.53 1.01 -0.71 -1.77 120.40 122.73 3fg6 s VAL 645 Ca 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.27 3fg6 s VAL 645 Cb 0.00 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 3fg6 s VAL 645 CO 0.00 0.57 -0.16 -0.04 0.00 0.00 0.00 175.10 175.47 3fg6 s MET 646 N -0.39 3.16 -0.26 2.72 1.00 0.23 -0.03 119.30 125.73 3fg6 s MET 646 Ca 0.04 -0.73 -0.10 0.00 0.00 0.00 0.00 55.69 54.91 3fg6 s MET 646 Cb -0.12 -2.52 -0.04 0.00 0.00 0.00 0.00 34.83 32.15 3fg6 s MET 646 CO 0.02 0.28 0.15 -0.51 0.00 0.00 0.00 175.02 174.95 3fg6 s LEU 647 N 0.17 3.84 -0.34 -0.03 1.43 -0.18 -0.05 118.68 123.52 3fg6 s LEU 647 Ca -0.09 -0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 3fg6 s LEU 647 Cb -0.15 -2.05 0.07 0.00 0.03 0.00 0.00 46.19 44.09 3fg6 s LEU 647 CO 0.05 -0.03 0.07 -0.22 0.23 0.00 0.00 176.35 176.46 3fg6 s LEU 648 N 1.60 4.43 -0.68 1.79 2.96 -0.02 -0.09 118.68 128.68 3fg6 s LEU 648 Ca 0.07 -1.59 -0.24 0.00 -0.22 0.00 0.00 54.13 52.14 3fg6 s LEU 648 Cb -0.15 -1.75 0.05 0.00 0.50 0.00 0.00 46.19 44.84 3fg6 s LEU 648 CO 0.08 -0.37 1.07 -0.62 -1.32 0.00 0.00 176.35 175.19 3fg6 s ASP 649 N 1.42 6.18 -0.08 3.68 2.15 -0.20 -0.75 116.67 129.08 3fg6 s ASP 649 Ca 0.01 -0.75 0.11 0.00 0.43 0.00 0.00 52.55 52.35 3fg6 s ASP 649 Cb -0.21 -2.47 0.46 0.00 -0.30 0.00 0.00 42.92 40.40 3fg6 s ASP 649 CO -0.03 -1.56 1.29 0.00 -0.17 0.00 0.00 175.17 174.71 3fg6 n ALA 650 N 8.26 2.94 0.00 3.66 0.00 0.21 -1.93 120.51 133.65 3fg6 n ALA 650 Ca -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.43 3fg6 n ALA 650 Cb 0.47 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 0.58 0.00 0.55 0.00 -0.00 -1.26 -4.00 117.44 113.30 3fg6 n TRP 651 Ca 0.16 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.77 3fg6 n TRP 651 Cb 0.63 0.00 0.44 0.00 -0.00 0.00 0.00 31.31 32.38 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 0.13 -3.58 5.87 0.28 -1.26 -4.83 120.64 117.26 3fg6 n GLU 652 Ca 0.00 0.28 -0.15 0.00 -0.16 0.00 0.00 57.16 57.14 3fg6 n GLU 652 Cb 0.00 -1.72 -0.06 0.00 1.43 0.00 0.00 31.44 31.09 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 -3.15 0.86 -0.18 3.44 0.74 -1.26 -4.32 119.66 115.79 3fg6 s GLN 653 Ca 0.07 0.53 -0.00 0.00 0.05 0.00 0.00 55.36 56.01 3fg6 s GLN 653 Cb 0.11 0.41 0.01 0.00 1.10 0.00 0.00 33.01 34.64 3fg6 s GLN 653 CO 0.42 -0.20 -0.14 0.42 -0.55 0.00 0.00 175.29 175.23 3fg6 s ILE 654 N -0.49 2.60 -0.15 -2.34 1.01 -0.68 -0.62 121.20 120.54 3fg6 s ILE 654 Ca -0.04 -0.77 -0.09 0.00 0.00 0.00 0.00 60.65 59.75 3fg6 s ILE 654 Cb -0.02 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 3fg6 s ILE 654 CO 0.04 0.50 0.15 -0.36 0.00 0.00 0.00 174.94 175.27 3fg6 s PHE 655 N 1.18 3.53 -0.35 3.97 0.08 0.07 -0.74 117.98 125.73 3fg6 s PHE 655 Ca 0.02 0.47 -0.03 0.00 0.12 0.00 0.00 56.93 57.51 3fg6 s PHE 655 Cb -0.14 -2.05 0.07 0.00 -0.57 0.00 0.00 43.02 40.34 3fg6 s PHE 655 CO -0.06 0.56 0.09 0.42 -0.10 0.00 0.00 175.22 176.13 3fg6 s ILE 656 N -0.47 3.21 -0.29 0.64 1.01 -0.47 -0.84 121.20 123.98 3fg6 s ILE 656 Ca 0.13 -1.62 -0.18 0.00 0.00 0.00 0.00 60.65 58.98 3fg6 s ILE 656 Cb -0.12 -2.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 3fg6 s ILE 656 CO 0.02 -0.35 0.52 0.86 0.00 0.00 0.00 174.94 175.99 3fg6 s TRP 657 N 1.23 3.23 -0.30 3.97 -0.00 0.93 -0.02 118.94 127.97 3fg6 s TRP 657 Ca 0.01 0.48 -0.12 0.00 -0.00 0.00 0.00 56.10 56.47 3fg6 s TRP 657 Cb -0.21 -2.81 -0.04 0.00 -0.00 0.00 0.00 33.47 30.41 3fg6 s TRP 657 CO -0.02 -0.38 0.23 0.42 -0.00 0.00 0.00 176.95 177.20 3fg6 s ILE 658 N 2.37 5.28 0.60 5.86 1.01 0.10 -0.60 121.20 135.82 3fg6 s ILE 658 Ca 0.21 0.08 -0.17 0.00 0.00 0.00 0.00 60.65 60.77 3fg6 s ILE 658 Cb -0.15 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 3fg6 s ILE 658 CO 0.11 0.14 1.09 -0.83 0.00 0.00 0.00 174.94 175.45 3fg6 s GLY 659 N 1.74 2.29 0.33 6.18 0.00 -0.73 -1.95 107.32 115.18 3fg6 s GLY 659 Ca 0.08 0.58 0.22 0.00 0.00 0.00 0.00 44.72 45.60 3fg6 s GLY 659 CO 0.11 0.92 1.69 0.58 0.00 0.00 0.00 173.10 176.39 3fg6 n LYS 660 N -1.91 0.15 -0.26 2.90 2.85 -1.07 -2.51 118.16 118.30 3fg6 n LYS 660 Ca 0.10 0.64 0.08 0.00 -1.05 0.00 0.00 58.31 58.08 3fg6 n LYS 660 Cb 0.52 -1.98 0.13 0.00 -0.65 0.00 0.00 35.03 33.05 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 -2.29 1.86 -4.81 -5.58 8.00 -1.17 -5.06 116.55 107.50 3fg6 n ASP 661 Ca -0.01 -3.01 -0.34 0.00 0.71 0.00 0.00 54.79 52.13 3fg6 n ASP 661 Cb 0.04 -0.41 -0.07 0.00 -0.02 0.00 0.00 41.12 40.66 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 -2.41 3.09 0.84 2.24 0.00 -1.04 -4.67 121.76 119.81 3fg6 s ALA 662 Ca 0.28 0.42 -0.12 0.00 0.00 0.00 0.00 51.96 52.55 3fg6 s ALA 662 Cb 0.26 -3.15 0.10 0.00 0.00 0.00 0.00 23.12 20.33 3fg6 s ALA 662 CO 0.00 0.15 1.17 -0.80 0.00 0.00 0.00 175.76 176.29 3fg6 s ASN 663 N -2.03 3.40 0.29 0.00 -0.87 -1.26 -4.95 114.94 109.52 3fg6 s ASN 663 Ca 0.59 2.26 0.08 0.00 -1.57 0.00 0.00 52.86 54.22 3fg6 s ASN 663 Cb -0.12 -2.58 0.43 0.00 -0.02 0.00 0.00 41.25 38.97 3fg6 s ASN 663 CO 0.16 -2.79 1.67 -0.33 -2.57 0.00 0.00 177.10 173.24 3fg6 h GLU 664 N -1.27 0.15 -0.32 -0.60 4.39 -2.00 -2.86 114.58 112.07 3fg6 h GLU 664 Ca -0.45 -0.08 -0.14 0.00 0.34 0.00 0.00 59.36 59.03 3fg6 h GLU 664 Cb 1.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 3fg6 h GLU 664 CO 0.45 0.61 -0.38 -0.39 -1.16 0.00 0.00 179.01 178.14 3fg6 h VAL 665 N 0.12 1.28 -0.53 3.13 -1.51 -1.98 -1.72 116.25 115.04 3fg6 h VAL 665 Ca 0.00 -1.54 0.03 0.00 -1.23 0.00 0.00 66.70 63.97 3fg6 h VAL 665 Cb 0.91 1.43 -0.04 0.00 -2.13 0.00 0.00 31.29 31.47 3fg6 h VAL 665 CO 0.07 0.50 0.30 -0.33 -1.23 0.00 0.00 177.57 176.88 3fg6 h GLU 666 N 0.63 0.56 -0.25 5.19 5.08 -1.92 0.37 114.58 124.24 3fg6 h GLU 666 Ca 0.06 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3fg6 h GLU 666 Cb 0.92 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 3fg6 h GLU 666 CO 0.08 0.37 0.13 0.87 -1.00 0.00 0.00 179.01 179.47 3fg6 h LYS 667 N 0.58 0.36 0.01 2.33 1.57 -1.37 -2.85 116.57 117.20 3fg6 h LYS 667 Ca 0.22 -0.05 -0.21 0.00 -1.87 0.00 0.00 60.65 58.75 3fg6 h LYS 667 Cb 0.08 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3fg6 h LYS 667 CO -0.12 0.34 -0.97 0.87 -0.57 0.00 0.00 179.45 178.99 3fg6 h LYS 668 N 0.29 0.02 0.00 3.15 6.56 -0.86 -2.50 116.57 123.23 3fg6 h LYS 668 Ca 0.09 -0.03 -0.08 0.00 -1.06 0.00 0.00 60.65 59.56 3fg6 h LYS 668 Cb 0.09 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.75 3fg6 h LYS 668 CO -0.01 0.97 -0.40 0.93 -2.06 0.00 0.00 179.45 178.88 3fg6 h GLU 669 N 0.01 0.00 -0.00 3.15 4.39 -0.31 -2.14 114.58 119.67 3fg6 h GLU 669 Ca -0.02 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.55 3fg6 h GLU 669 Cb 1.70 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.37 3fg6 h GLU 669 CO 0.13 0.40 -0.51 0.66 -1.16 0.00 0.00 179.01 178.52 3fg6 h SER 670 N 0.00 0.46 -0.83 1.42 4.64 -1.54 -2.98 113.55 114.72 3fg6 h SER 670 Ca -0.00 -0.76 0.20 0.00 -0.47 0.00 0.00 61.79 60.75 3fg6 h SER 670 Cb 1.29 -0.14 -0.12 0.00 -0.31 0.00 0.00 62.40 63.12 3fg6 h SER 670 CO 0.05 1.16 0.28 0.25 -0.87 0.00 0.00 176.83 177.69 3fg6 h LEU 671 N -0.20 0.14 0.78 5.97 6.46 -1.42 0.11 115.31 127.15 3fg6 h LEU 671 Ca -0.06 0.16 -0.04 0.00 -0.12 0.00 0.00 57.88 57.82 3fg6 h LEU 671 Cb 1.23 0.18 0.01 0.00 -0.73 0.00 0.00 40.66 41.35 3fg6 h LEU 671 CO 0.10 -0.04 -0.37 0.11 -0.62 0.00 0.00 178.44 177.62 3fg6 h LYS 672 N 0.32 -1.00 0.00 1.25 1.57 -1.41 -2.84 116.57 114.45 3fg6 h LYS 672 Ca 0.50 0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.34 3fg6 h LYS 672 Cb 0.91 0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 3fg6 h LYS 672 CO -0.54 -0.66 -0.05 0.66 -0.57 0.00 0.00 179.45 178.29 3fg6 h SER 673 N -1.07 0.00 -0.93 0.86 4.64 -1.32 -0.71 113.55 115.02 3fg6 h SER 673 Ca -0.11 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.22 3fg6 h SER 673 Cb 0.81 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.85 3fg6 h SER 673 CO 0.17 0.05 0.61 0.00 -0.87 0.00 0.00 176.83 176.79 3fg6 h ALA 674 N 1.95 1.33 -0.31 5.18 0.00 -0.66 0.10 119.26 126.86 3fg6 h ALA 674 Ca -0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 3fg6 h ALA 674 Cb 0.09 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3fg6 h ALA 674 CO 0.01 0.62 -0.37 0.87 0.00 0.00 0.00 179.25 180.38 3fg6 h LYS 675 N 1.26 0.71 0.60 0.00 1.57 -0.91 -2.72 116.57 117.08 3fg6 h LYS 675 Ca 0.34 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3fg6 h LYS 675 Cb -0.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3fg6 h LYS 675 CO -0.07 0.96 -0.43 0.52 -0.57 0.00 0.00 179.45 179.86 3fg6 h MET 676 N 0.59 -0.95 -0.58 3.15 2.86 -0.78 0.24 114.93 119.45 3fg6 h MET 676 Ca 0.06 0.06 0.11 0.00 -2.06 0.00 0.00 59.70 57.87 3fg6 h MET 676 Cb 0.90 0.22 -0.11 0.00 0.06 0.00 0.00 31.60 32.66 3fg6 h MET 676 CO 0.08 -0.63 -0.16 0.98 1.06 0.00 0.00 176.91 178.24 3fg6 n TYR 677 N -5.11 0.17 0.07 -0.22 9.36 0.30 0.11 117.16 121.85 3fg6 n TYR 677 Ca -0.12 0.71 -0.13 0.00 3.32 0.00 0.00 57.90 61.68 3fg6 n TYR 677 Cb 0.42 -0.81 -0.09 0.00 -0.63 0.00 0.00 39.34 38.23 3fg6 n TYR 677 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3fg6 h LEU 678 N 0.00 -0.16 0.21 2.98 3.38 -1.15 -3.02 115.31 117.55 3fg6 h LEU 678 Ca 0.26 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3fg6 h LEU 678 Cb 0.41 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3fg6 h LEU 678 CO -0.59 0.25 -0.22 -0.33 0.09 0.00 0.00 178.44 177.65 3fg6 h GLU 679 N -0.61 -0.41 -4.57 1.13 4.39 0.29 -3.07 114.58 111.72 3fg6 h GLU 679 Ca -0.02 0.03 -0.72 0.00 0.34 0.00 0.00 59.36 58.99 3fg6 h GLU 679 Cb 0.47 0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 29.11 3fg6 h GLU 679 CO 0.03 -0.28 2.35 0.25 -1.16 0.00 0.00 179.01 180.20 3fg6 n THR 680 N -3.65 3.91 -3.37 1.13 -2.24 0.31 -4.84 114.28 105.53 3fg6 n THR 680 Ca -0.05 -3.90 -0.38 0.00 -2.27 0.00 0.00 64.05 57.45 3fg6 n THR 680 Cb 0.20 -2.46 -0.06 0.00 -2.10 0.00 0.00 70.33 65.91 3fg6 n THR 680 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3fg6 s ASP 681 N 2.97 6.71 0.00 3.42 3.68 -1.14 -4.52 116.67 127.78 3fg6 s ASP 681 Ca 0.47 0.84 0.00 0.00 2.13 0.00 0.00 52.55 55.99 3fg6 s ASP 681 Cb 0.07 -2.27 0.00 0.00 -1.45 0.00 0.00 42.92 39.27 3fg6 s ASP 681 CO -0.01 0.10 0.35 -2.65 0.13 0.00 0.00 175.17 173.09 3fg6 n PRO 682 N 3.16 0.44 -0.20 4.34 -0.02 -1.26 -4.70 135.00 136.76 3fg6 n PRO 682 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 3fg6 n PRO 682 Cb 0.52 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 3fg6 n PRO 682 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3fg6 n SER 683 N 0.55 0.00 -4.67 2.55 2.88 -1.26 -5.13 113.62 108.55 3fg6 n SER 683 Ca 0.00 -0.17 -0.43 0.00 -1.33 0.00 0.00 58.87 56.94 3fg6 n SER 683 Cb 0.17 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.61 3fg6 n SER 683 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3fg6 s GLY 684 N -0.38 1.75 -1.08 0.46 0.00 -1.26 -4.92 107.32 101.88 3fg6 s GLY 684 Ca 0.00 0.66 -0.25 0.00 0.00 0.00 0.00 44.72 45.13 3fg6 s GLY 684 CO 0.00 2.55 2.07 0.50 0.00 0.00 0.00 173.10 178.22 3fg6 s ARG 685 N 3.15 1.80 0.36 2.90 0.52 -1.26 -4.86 118.95 121.55 3fg6 s ARG 685 Ca 0.60 -0.59 -0.27 0.00 -0.52 0.00 0.00 55.73 54.95 3fg6 s ARG 685 Cb -0.26 -5.06 -0.12 0.00 0.52 0.00 0.00 34.95 30.03 3fg6 s ARG 685 CO 0.21 -4.69 1.21 -3.47 0.02 0.00 0.00 175.30 168.58 3fg6 n ASP 686 N 17.25 2.31 -0.70 0.23 -0.08 -1.26 -4.35 116.55 129.95 3fg6 n ASP 686 Ca 0.43 1.16 -0.04 0.00 -1.51 0.00 0.00 54.79 54.83 3fg6 n ASP 686 Cb 0.46 -1.44 -0.03 0.00 2.34 0.00 0.00 41.12 42.45 3fg6 n ASP 686 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3fg6 n LYS 687 N 0.41 0.00 0.00 -0.67 5.02 -1.26 -0.00 118.16 121.66 3fg6 n LYS 687 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 3fg6 n LYS 687 Cb 0.37 -0.16 0.00 0.00 -0.02 0.00 0.00 35.03 35.21 3fg6 n LYS 687 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3fg6 n ARG 688 N 0.90 0.00 -1.47 1.97 3.00 -1.26 -4.60 116.66 115.20 3fg6 n ARG 688 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.94 3fg6 n ARG 688 Cb 0.02 -2.18 0.00 0.00 0.00 0.00 0.00 32.46 30.30 3fg6 n ARG 688 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 3fg6 n THR 689 N -0.37 -0.14 -1.43 0.55 -1.04 1.00 -4.71 114.28 108.14 3fg6 n THR 689 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 3fg6 n THR 689 Cb 0.00 -1.13 0.06 0.00 -1.82 0.00 0.00 70.33 67.44 3fg6 n THR 689 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3fg6 n PRO 690 N 1.87 0.54 -3.56 -2.82 -0.02 -1.26 -4.77 135.00 124.98 3fg6 n PRO 690 Ca 0.00 0.22 -0.29 0.00 -2.02 0.00 0.00 63.50 61.41 3fg6 n PRO 690 Cb 0.00 -1.95 -0.14 0.00 -0.02 0.00 0.00 33.50 31.39 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 -1.74 0.19 -0.19 4.25 2.07 -1.26 -1.68 121.20 122.84 3fg6 s ILE 691 Ca 0.71 -1.15 -0.12 0.00 -1.41 0.00 0.00 60.65 58.68 3fg6 s ILE 691 Cb -0.39 -1.16 -0.05 0.00 0.13 0.00 0.00 42.46 40.99 3fg6 s ILE 691 CO 0.53 -0.79 0.20 -0.69 -1.91 0.00 0.00 174.94 172.28 3fg6 s VAL 692 N 1.72 5.36 -0.17 4.00 1.01 0.08 -4.97 120.40 127.44 3fg6 s VAL 692 Ca 0.11 0.34 -0.14 0.00 0.00 0.00 0.00 61.98 62.30 3fg6 s VAL 692 Cb -0.18 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 3fg6 s VAL 692 CO -0.25 0.41 0.31 -0.63 0.00 0.00 0.00 175.10 174.94 3fg6 s ILE 693 N 0.46 5.29 -0.08 2.22 1.01 -1.26 -1.37 121.20 127.47 3fg6 s ILE 693 Ca 0.12 0.57 0.03 0.00 0.00 0.00 0.00 60.65 61.37 3fg6 s ILE 693 Cb -0.12 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 38.71 3fg6 s ILE 693 CO 0.01 0.37 -0.16 -0.63 0.00 0.00 0.00 174.94 174.53 3fg6 s ILE 694 N 0.59 1.46 0.19 2.92 1.09 0.96 -4.94 121.20 123.47 3fg6 s ILE 694 Ca 0.17 -0.66 -0.13 0.00 -1.10 0.00 0.00 60.65 58.92 3fg6 s ILE 694 Cb -0.13 -1.30 -0.07 0.00 -1.06 0.00 0.00 42.46 39.89 3fg6 s ILE 694 CO 0.05 0.43 0.58 -0.54 -0.10 0.00 0.00 174.94 175.35 3fg6 s LYS 695 N 0.61 3.95 0.36 2.79 -0.14 -1.26 0.01 119.74 126.06 3fg6 s LYS 695 Ca -0.15 0.47 -0.28 0.00 -1.36 0.00 0.00 55.97 54.65 3fg6 s LYS 695 Cb -0.16 -2.80 -0.11 0.00 -1.68 0.00 0.00 37.83 33.08 3fg6 s LYS 695 CO 0.05 0.40 1.47 -1.14 -0.76 0.00 0.00 175.35 175.36 3fg6 s GLN 696 N -2.30 4.15 0.00 1.68 0.74 -0.83 -1.87 119.66 121.24 3fg6 s GLN 696 Ca 0.42 2.51 0.00 0.00 0.05 0.00 0.00 55.36 58.35 3fg6 s GLN 696 Cb -0.14 -2.99 0.00 0.00 1.10 0.00 0.00 33.01 30.98 3fg6 s GLN 696 CO 0.20 -0.49 0.00 0.41 -0.55 0.00 0.00 175.29 174.86 3fg6 n GLY 697 N 0.69 0.31 0.41 2.59 0.00 -1.26 -4.80 105.19 103.12 3fg6 n GLY 697 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 3fg6 n GLY 697 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3fg6 n HIS 698 N -2.53 0.00 -2.26 1.61 -0.00 -0.78 -5.10 115.22 106.17 3fg6 n HIS 698 Ca 0.00 -0.47 -0.42 0.00 0.46 0.00 0.00 57.72 57.30 3fg6 n HIS 698 Cb 0.20 -0.10 -0.03 0.00 -0.12 0.00 0.00 29.99 29.93 3fg6 n HIS 698 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 3fg6 s GLU 699 N -1.21 4.39 0.59 1.57 8.01 -1.22 -4.67 118.70 126.16 3fg6 s GLU 699 Ca 0.16 1.99 -0.16 0.00 0.01 0.00 0.00 54.97 56.97 3fg6 s GLU 699 Cb 0.14 -3.23 -0.04 0.00 -4.31 0.00 0.00 34.13 26.69 3fg6 s GLU 699 CO -0.00 -0.27 1.05 -1.25 0.01 0.00 0.00 175.26 174.80 3fg6 s PRO 700 N 0.30 3.35 0.47 0.39 0.04 -1.26 -4.85 135.00 133.45 3fg6 s PRO 700 Ca 0.58 1.20 0.17 0.00 0.04 0.00 0.00 61.00 62.99 3fg6 s PRO 700 Cb -0.35 -2.04 1.16 0.00 0.04 0.00 0.00 34.50 33.31 3fg6 s PRO 700 CO 0.35 -0.78 2.02 -1.35 0.04 0.00 0.00 177.00 177.27 3fg6 h PRO 701 N 0.49 0.23 0.00 0.56 0.11 -1.93 -1.14 132.00 130.32 3fg6 h PRO 701 Ca -0.47 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 3fg6 h PRO 701 Cb 1.22 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3fg6 h PRO 701 CO 0.58 0.15 -0.14 0.00 -0.21 0.00 0.00 178.00 178.38 3fg6 h THR 702 N 0.24 0.78 0.09 -1.15 1.03 -1.92 -1.40 112.91 110.58 3fg6 h THR 702 Ca 0.22 -0.54 -0.32 0.00 -0.01 0.00 0.00 66.41 65.76 3fg6 h THR 702 Cb 0.55 1.32 -0.02 0.00 -1.07 0.00 0.00 68.15 68.92 3fg6 h THR 702 CO -0.04 0.13 -1.76 0.15 -0.01 0.00 0.00 175.52 173.99 3fg6 h PHE 703 N 0.00 0.35 -0.11 0.00 3.57 -1.62 -3.39 116.94 115.74 3fg6 h PHE 703 Ca -0.00 -0.26 -0.00 0.00 3.53 0.00 0.00 57.97 61.24 3fg6 h PHE 703 Cb 0.31 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3fg6 h PHE 703 CO 0.00 1.69 0.06 1.15 -2.23 0.00 0.00 178.31 178.98 3fg6 h THR 704 N -0.25 1.04 -0.03 4.41 2.02 -1.08 -3.00 112.91 116.01 3fg6 h THR 704 Ca -0.40 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 66.71 3fg6 h THR 704 Cb 1.82 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 69.12 3fg6 h THR 704 CO 0.00 0.04 0.04 1.23 0.37 0.00 0.00 175.52 177.20 3fg6 h GLY 705 N 0.18 0.00 1.50 2.16 0.00 -1.45 -2.00 103.07 103.46 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 -3.91 0.00 -4.53 5.60 7.02 -1.13 -4.72 117.44 115.77 3fg6 n TRP 706 Ca -0.02 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.12 3fg6 n TRP 706 Cb 0.13 -0.25 -0.11 0.00 -2.42 0.00 0.00 31.31 28.66 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 -2.50 3.02 -0.06 -5.99 0.40 -0.75 -5.02 117.98 107.07 3fg6 s PHE 707 Ca 0.28 0.07 -0.28 0.00 -0.60 0.00 0.00 56.93 56.41 3fg6 s PHE 707 Cb 0.19 -1.75 -0.03 0.00 0.51 0.00 0.00 43.02 41.94 3fg6 s PHE 707 CO 0.41 0.36 0.89 -1.17 0.70 0.00 0.00 175.22 176.41 3fg6 s LEU 708 N -0.78 4.30 -1.23 -0.37 2.96 -1.26 -4.16 118.68 118.14 3fg6 s LEU 708 Ca 0.12 1.44 -0.06 0.00 -0.22 0.00 0.00 54.13 55.41 3fg6 s LEU 708 Cb -0.11 -3.39 -0.01 0.00 0.50 0.00 0.00 46.19 43.17 3fg6 s LEU 708 CO 0.02 -0.28 0.75 0.61 -1.32 0.00 0.00 176.35 176.13 3fg6 n GLY 709 N 3.07 -0.58 3.64 7.98 0.00 -1.26 -4.85 105.19 113.19 3fg6 n GLY 709 Ca 0.04 0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 3fg6 n GLY 709 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3fg6 s TRP 710 N -3.58 1.54 -0.26 1.61 -0.11 -1.26 -4.96 118.94 111.92 3fg6 s TRP 710 Ca 0.18 0.13 -0.21 0.00 1.22 0.00 0.00 56.10 57.42 3fg6 s TRP 710 Cb -0.05 -4.06 -0.01 0.00 -1.50 0.00 0.00 33.47 27.85 3fg6 s TRP 710 CO 0.81 -4.32 0.66 0.34 -4.62 0.00 0.00 176.95 169.82 3fg6 s ASP 711 N 5.27 6.59 0.00 5.86 2.15 -1.26 -4.93 116.67 130.35 3fg6 s ASP 711 Ca 0.85 0.69 0.25 0.00 0.43 0.00 0.00 52.55 54.77 3fg6 s ASP 711 Cb -0.34 -2.35 0.44 0.00 -0.30 0.00 0.00 42.92 40.37 3fg6 s ASP 711 CO 0.35 -0.42 1.37 -0.24 -0.17 0.00 0.00 175.17 176.06 3fg6 n SER 712 N 5.80 1.21 -0.88 -0.34 2.88 -1.26 -3.92 113.62 117.11 3fg6 n SER 712 Ca 0.00 -0.98 0.01 0.00 -1.33 0.00 0.00 58.87 56.58 3fg6 n SER 712 Cb 0.49 0.31 0.20 0.00 -0.75 0.00 0.00 64.21 64.46 3fg6 n SER 712 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3fg6 n SER 713 N -0.67 2.34 0.00 -3.46 3.41 -1.26 -4.79 113.62 109.18 3fg6 n SER 713 Ca 0.10 -3.70 -0.17 0.00 -0.26 0.00 0.00 58.87 54.83 3fg6 n SER 713 Cb 0.38 -0.58 -0.12 0.00 -0.26 0.00 0.00 64.21 63.63 3fg6 n SER 713 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3fg6 h LYS 714 N 0.98 0.31 0.00 4.33 3.64 -2.00 -3.56 116.57 120.27 3fg6 h LYS 714 Ca 0.12 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 3fg6 h LYS 714 Cb 1.39 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 3fg6 h LYS 714 CO 0.23 1.08 0.00 0.91 -2.27 0.00 0.00 179.45 179.39