#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xf9 s THR 390 N 0.00 0.99 0.62 1.09 -1.32 -0.94 -4.98 115.64 111.10 1xf9 s THR 390 Ca 0.00 -1.63 0.01 0.00 -1.21 0.00 0.00 61.69 58.85 1xf9 s THR 390 Cb 0.00 -1.36 0.07 0.00 -1.51 0.00 0.00 72.50 69.70 1xf9 s THR 390 CO 0.00 -0.53 0.87 -0.83 -2.21 0.00 0.00 174.62 171.92 1xf9 s GLY 391 N -2.42 1.79 -0.05 6.08 0.00 -1.26 -4.39 107.32 107.07 1xf9 s GLY 391 Ca 0.05 -1.52 -0.03 0.00 0.00 0.00 0.00 44.72 43.22 1xf9 s GLY 391 CO 0.00 -1.11 0.12 -1.50 0.00 0.00 0.00 173.10 170.61 1xf9 s ILE 392 N -2.92 -0.02 0.03 0.90 2.07 0.62 -4.52 121.20 117.36 1xf9 s ILE 392 Ca 0.61 0.07 0.04 0.00 -1.41 0.00 0.00 60.65 59.96 1xf9 s ILE 392 Cb -0.08 -0.19 -0.02 0.00 0.13 0.00 0.00 42.46 42.31 1xf9 s ILE 392 CO 0.41 0.03 -0.11 -0.63 -1.91 0.00 0.00 174.94 172.72 1xf9 s ILE 393 N 0.48 0.89 -0.12 2.00 1.01 0.25 -0.58 121.20 125.12 1xf9 s ILE 393 Ca -0.03 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 59.76 1xf9 s ILE 393 Cb -0.05 -0.81 0.05 0.00 0.01 0.00 0.00 42.46 41.66 1xf9 s ILE 393 CO -0.02 -0.00 0.07 -0.04 0.00 0.00 0.00 174.94 174.95 1xf9 s MET 394 N -0.92 0.11 -0.29 2.79 -1.94 -0.18 -0.86 119.30 118.01 1xf9 s MET 394 Ca 0.00 0.07 -0.04 0.00 -1.71 0.00 0.00 55.69 54.01 1xf9 s MET 394 Cb -0.07 -1.32 0.03 0.00 2.01 0.00 0.00 34.83 35.48 1xf9 s MET 394 CO 0.01 -0.52 0.02 -1.21 -0.01 0.00 0.00 175.02 173.31 1xf9 s GLU 395 N 2.11 2.79 -1.15 2.03 2.02 0.11 -1.49 118.70 125.13 1xf9 s GLU 395 Ca 0.03 -1.03 -0.26 0.00 0.02 0.00 0.00 54.97 53.73 1xf9 s GLU 395 Cb -0.14 -3.21 0.01 0.00 0.10 0.00 0.00 34.13 30.89 1xf9 s GLU 395 CO -0.06 -0.50 0.74 -1.71 0.02 0.00 0.00 175.26 173.75 1xf9 n ASN 396 N 4.74 -4.88 -4.81 -0.19 4.05 -1.12 -1.09 115.26 111.96 1xf9 n ASN 396 Ca -0.15 -1.12 -0.38 0.00 0.45 0.00 0.00 54.58 53.39 1xf9 n ASN 396 Cb 0.46 -2.65 -0.06 0.00 1.23 0.00 0.00 39.78 38.77 1xf9 n ASN 396 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1xf9 s VAL 397 N -3.46 5.09 -0.03 3.44 1.01 -0.43 -2.80 120.40 123.21 1xf9 s VAL 397 Ca 0.46 0.82 0.00 0.00 0.00 0.00 0.00 61.98 63.26 1xf9 s VAL 397 Cb -0.20 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.49 1xf9 s VAL 397 CO 0.91 0.53 0.01 -0.89 0.00 0.00 0.00 175.10 175.65 1xf9 s THR 398 N -0.70 0.12 -0.06 3.92 2.01 -0.34 -0.57 115.64 120.02 1xf9 s THR 398 Ca 0.23 0.10 0.04 0.00 0.31 0.00 0.00 61.69 62.37 1xf9 s THR 398 Cb -0.16 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 72.13 1xf9 s THR 398 CO 0.12 0.12 -0.18 0.00 -0.69 0.00 0.00 174.62 174.00 1xf9 s ALA 399 N 0.95 1.61 0.27 7.40 0.00 -0.46 -1.18 121.76 130.35 1xf9 s ALA 399 Ca -0.09 -0.69 0.06 0.00 0.00 0.00 0.00 51.96 51.23 1xf9 s ALA 399 Cb -0.13 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 1xf9 s ALA 399 CO -0.02 0.25 0.39 -0.06 0.00 0.00 0.00 175.76 176.32 1xf9 s PHE 400 N 0.24 3.33 0.14 0.00 0.08 -1.26 0.09 117.98 120.59 1xf9 s PHE 400 Ca -0.09 -0.09 -0.31 0.00 0.12 0.00 0.00 56.93 56.56 1xf9 s PHE 400 Cb -0.14 -1.70 -0.08 0.00 -0.57 0.00 0.00 43.02 40.53 1xf9 s PHE 400 CO 0.04 0.30 1.41 -1.58 -0.10 0.00 0.00 175.22 175.29 1xf9 s TRP 401 N -2.05 3.21 0.10 0.36 0.52 -0.70 -4.75 118.94 115.63 1xf9 s TRP 401 Ca 0.37 0.94 0.07 0.00 0.02 0.00 0.00 56.10 57.50 1xf9 s TRP 401 Cb -0.09 -3.72 -0.03 0.00 -1.15 0.00 0.00 33.47 28.48 1xf9 s TRP 401 CO 0.29 -2.50 -0.17 -1.21 0.02 0.00 0.00 176.95 173.39 1xf9 s GLU 402 N 0.91 1.00 0.34 4.98 0.41 -1.26 -4.53 118.70 120.55 1xf9 s GLU 402 Ca 0.64 -1.12 -0.29 0.00 -0.41 0.00 0.00 54.97 53.80 1xf9 s GLU 402 Cb -0.38 -1.07 -0.12 0.00 -1.78 0.00 0.00 34.13 30.78 1xf9 s GLU 402 CO 0.32 0.23 1.42 0.39 -0.49 0.00 0.00 175.26 177.13 1xf9 n GLU 403 N 0.98 2.40 0.00 1.61 1.02 -1.26 -2.38 120.64 123.01 1xf9 n GLU 403 Ca -0.19 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 1xf9 n GLU 403 Cb 0.55 -2.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.45 1xf9 n GLU 403 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xf9 n GLY 404 N 0.98 2.82 0.36 0.62 0.00 -1.26 -4.86 105.19 103.85 1xf9 n GLY 404 Ca 0.05 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.67 1xf9 n GLY 404 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xf9 h PHE 405 N 0.00 0.54 -0.34 1.61 3.57 -1.84 -1.27 116.94 119.21 1xf9 h PHE 405 Ca 0.00 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 1xf9 h PHE 405 Cb 0.00 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 1xf9 h PHE 405 CO 0.00 0.24 -0.14 0.78 -2.23 0.00 0.00 178.31 176.95 1xf9 h GLY 406 N 0.49 0.75 0.81 2.40 0.00 -1.90 -1.35 103.07 104.28 1xf9 h GLY 406 Ca 0.33 -0.67 0.03 0.00 0.00 0.00 0.00 47.33 47.02 1xf9 h GLY 406 CO -0.11 0.61 0.13 0.83 0.00 0.00 0.00 176.54 178.00 1xf9 h GLU 407 N 0.47 0.28 0.03 4.80 4.39 -1.66 -2.47 114.58 120.41 1xf9 h GLU 407 Ca 0.08 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.78 1xf9 h GLU 407 Cb 0.67 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 1xf9 h GLU 407 CO 0.05 0.18 -0.12 1.25 -1.16 0.00 0.00 179.01 179.21 1xf9 h LEU 408 N 0.29 -0.33 -1.91 1.33 5.85 -1.20 -2.42 115.31 116.92 1xf9 h LEU 408 Ca 0.13 0.05 0.26 0.00 0.84 0.00 0.00 57.88 59.16 1xf9 h LEU 408 Cb 0.07 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1xf9 h LEU 408 CO -0.11 -0.17 0.65 -0.07 -0.34 0.00 0.00 178.44 178.40 1xf9 h LEU 409 N -0.21 0.07 -0.64 2.25 3.38 -0.80 0.11 115.31 119.47 1xf9 h LEU 409 Ca 0.03 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 1xf9 h LEU 409 Cb 0.25 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1xf9 h LEU 409 CO -0.10 0.02 -0.58 -0.33 0.09 0.00 0.00 178.44 177.55 1xf9 h GLU 410 N 0.07 0.31 -0.03 1.13 5.08 -1.10 -3.52 114.58 116.51 1xf9 h GLU 410 Ca 0.45 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1xf9 h GLU 410 Cb 1.66 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.93 1xf9 h GLU 410 CO -0.04 0.80 0.00 1.63 -1.00 0.00 0.00 179.01 180.40 1xf9 n LYS 411 N -3.90 1.19 -2.15 2.33 5.02 0.36 -5.15 118.16 115.86 1xf9 n LYS 411 Ca -0.03 -0.29 -0.43 0.00 -2.02 0.00 0.00 58.31 55.55 1xf9 n LYS 411 Cb 0.61 -1.36 -0.02 0.00 -0.02 0.00 0.00 35.03 34.23 1xf9 n LYS 411 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1xf9 s SER 429 N -1.68 6.58 0.31 4.39 0.15 -1.26 -4.86 113.70 117.32 1xf9 s SER 429 Ca 0.33 1.79 0.02 0.00 0.70 0.00 0.00 55.95 58.79 1xf9 s SER 429 Cb 0.16 -2.53 0.50 0.00 -1.71 0.00 0.00 66.02 62.43 1xf9 s SER 429 CO 0.26 -1.06 1.84 -0.26 1.20 0.00 0.00 173.24 175.22 1xf9 h PHE 430 N 9.84 0.68 -0.65 3.44 0.04 -2.00 -2.36 116.94 125.93 1xf9 h PHE 430 Ca -0.34 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.34 1xf9 h PHE 430 Cb 1.15 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 39.07 1xf9 h PHE 430 CO 0.88 0.63 0.32 0.77 -0.60 0.00 0.00 178.31 180.31 1xf9 h SER 431 N 0.62 0.82 -0.18 2.17 0.02 -1.99 -1.30 113.55 113.71 1xf9 h SER 431 Ca 0.13 -0.08 -0.17 0.00 -0.84 0.00 0.00 61.79 60.83 1xf9 h SER 431 Cb 0.35 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.69 1xf9 h SER 431 CO 0.01 0.69 -0.57 0.45 -1.14 0.00 0.00 176.83 176.27 1xf9 h HIS 432 N 0.91 0.91 -0.71 3.45 3.86 -1.88 -1.44 115.15 120.25 1xf9 h HIS 432 Ca 0.23 -0.37 -0.02 0.00 -1.16 0.00 0.00 60.37 59.04 1xf9 h HIS 432 Cb 0.08 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.36 1xf9 h HIS 432 CO 0.01 1.17 0.35 -0.07 0.86 0.00 0.00 177.93 180.25 1xf9 h LEU 433 N 0.39 0.90 -0.30 2.43 3.38 -1.16 -1.00 115.31 119.95 1xf9 h LEU 433 Ca -0.02 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.70 1xf9 h LEU 433 Cb 1.19 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1xf9 h LEU 433 CO 0.12 0.75 -0.43 0.00 0.09 0.00 0.00 178.44 178.97 1xf9 h LEU 435 N 0.59 0.93 -0.72 0.00 5.85 -0.89 -2.88 115.31 118.20 1xf9 h LEU 435 Ca 0.03 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1xf9 h LEU 435 Cb 1.03 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.81 1xf9 h LEU 435 CO 0.10 0.98 0.00 0.58 -0.34 0.00 0.00 178.44 179.76 1xf9 h VAL 436 N 0.86 0.00 -2.94 1.05 2.07 -1.22 -3.47 116.25 112.60 1xf9 h VAL 436 Ca 0.17 -0.66 -0.16 0.00 0.82 0.00 0.00 66.70 66.87 1xf9 h VAL 436 Cb 0.46 1.64 0.06 0.00 -1.52 0.00 0.00 31.29 31.93 1xf9 h VAL 436 CO 0.02 0.00 -0.27 0.61 0.02 0.00 0.00 177.57 177.95 1xf9 n GLY 437 N 0.54 0.36 3.75 2.17 0.00 -0.91 -5.01 105.19 106.09 1xf9 n GLY 437 Ca 0.02 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 1xf9 n GLY 437 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xf9 s ASN 438 N -3.14 7.29 0.25 1.61 3.84 -0.92 -4.86 114.94 119.01 1xf9 s ASN 438 Ca 0.23 2.19 -0.30 0.00 0.21 0.00 0.00 52.86 55.19 1xf9 s ASN 438 Cb -0.10 -2.62 -0.09 0.00 -0.55 0.00 0.00 41.25 37.89 1xf9 s ASN 438 CO 0.29 -0.15 0.96 -2.16 -2.79 0.00 0.00 177.10 173.25 1xf9 s PRO 439 N -1.07 4.83 -0.10 0.43 0.04 -1.26 -1.73 135.00 136.14 1xf9 s PRO 439 Ca 0.46 1.53 0.07 0.00 0.04 0.00 0.00 61.00 63.10 1xf9 s PRO 439 Cb -0.31 -3.27 -0.24 0.00 0.04 0.00 0.00 34.50 30.73 1xf9 s PRO 439 CO 0.38 0.48 0.45 1.55 0.04 0.00 0.00 177.00 179.91 1xf9 n VAL 440 N 1.44 1.63 -4.08 -0.36 3.14 0.11 -4.87 118.33 115.36 1xf9 n VAL 440 Ca -0.02 -0.75 -0.17 0.00 -2.96 0.00 0.00 64.34 60.45 1xf9 n VAL 440 Cb 0.47 -1.21 -0.15 0.00 -1.06 0.00 0.00 33.84 31.88 1xf9 n VAL 440 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1xf9 s LEU 441 N -6.34 1.67 -0.04 6.55 1.43 -1.13 -4.32 118.68 116.49 1xf9 s LEU 441 Ca -0.12 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 1xf9 s LEU 441 Cb 0.07 -0.27 0.02 0.00 0.03 0.00 0.00 46.19 46.04 1xf9 s LEU 441 CO 0.80 -0.00 -0.06 -0.75 0.23 0.00 0.00 176.35 176.56 1xf9 s LYS 442 N 0.37 0.95 -1.26 1.70 2.20 0.69 -1.35 119.74 123.04 1xf9 s LYS 442 Ca -0.04 -0.19 -0.22 0.00 -0.36 0.00 0.00 55.97 55.16 1xf9 s LYS 442 Cb -0.07 -0.90 0.02 0.00 -1.51 0.00 0.00 37.83 35.37 1xf9 s LYS 442 CO -0.01 -0.02 0.60 0.09 -0.36 0.00 0.00 175.35 175.66 1xf9 n ASN 443 N 3.80 -3.39 -4.73 1.43 3.02 -0.54 -4.20 115.26 110.65 1xf9 n ASN 443 Ca -0.23 -1.18 -0.39 0.00 -0.03 0.00 0.00 54.58 52.75 1xf9 n ASN 443 Cb 0.52 -2.36 -0.05 0.00 -0.61 0.00 0.00 39.78 37.28 1xf9 n ASN 443 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xf9 s ILE 444 N -3.67 5.07 -0.03 2.41 -1.09 0.26 -4.65 121.20 119.51 1xf9 s ILE 444 Ca 0.37 1.19 0.00 0.00 -2.23 0.00 0.00 60.65 59.98 1xf9 s ILE 444 Cb -0.17 -3.92 0.03 0.00 -1.58 0.00 0.00 42.46 36.82 1xf9 s ILE 444 CO 0.93 0.33 0.01 0.20 -1.23 0.00 0.00 174.94 175.18 1xf9 s ASN 445 N 0.45 0.35 -0.12 3.58 0.01 -1.26 -1.32 114.94 116.64 1xf9 s ASN 445 Ca 0.31 -0.01 -0.29 0.00 -0.71 0.00 0.00 52.86 52.15 1xf9 s ASN 445 Cb -0.17 -0.19 0.08 0.00 0.41 0.00 0.00 41.25 41.38 1xf9 s ASN 445 CO 0.15 -0.11 0.75 -1.48 -1.51 0.00 0.00 177.10 174.90 1xf9 s LEU 446 N 1.03 -0.62 -0.27 0.60 0.05 -0.55 -4.97 118.68 113.94 1xf9 s LEU 446 Ca -0.10 0.82 -0.02 0.00 0.05 0.00 0.00 54.13 54.88 1xf9 s LEU 446 Cb -0.13 2.40 0.09 0.00 -2.05 0.00 0.00 46.19 46.49 1xf9 s LEU 446 CO -0.02 -0.48 0.08 0.21 -0.55 0.00 0.00 176.35 175.59 1xf9 s ASN 447 N -0.81 3.56 -0.20 1.48 2.47 -1.26 -1.02 114.94 119.16 1xf9 s ASN 447 Ca -0.07 -1.29 -0.03 0.00 0.42 0.00 0.00 52.86 51.88 1xf9 s ASN 447 Cb -0.01 -0.68 -0.01 0.00 -1.45 0.00 0.00 41.25 39.10 1xf9 s ASN 447 CO 0.06 -0.38 -0.05 -0.63 -3.72 0.00 0.00 177.10 172.38 1xf9 s ILE 448 N 1.79 3.41 0.37 -5.21 -1.09 0.25 -4.98 121.20 115.74 1xf9 s ILE 448 Ca 0.06 -0.49 -0.15 0.00 -2.23 0.00 0.00 60.65 57.84 1xf9 s ILE 448 Cb -0.17 -2.53 -0.08 0.00 -1.58 0.00 0.00 42.46 38.09 1xf9 s ILE 448 CO -0.22 0.44 0.79 -1.61 -1.23 0.00 0.00 174.94 173.11 1xf9 s GLU 449 N 1.23 3.97 0.13 2.79 2.02 -1.26 -0.28 118.70 127.30 1xf9 s GLU 449 Ca 0.03 0.70 -0.34 0.00 0.02 0.00 0.00 54.97 55.38 1xf9 s GLU 449 Cb -0.14 -2.37 -0.17 0.00 0.10 0.00 0.00 34.13 31.55 1xf9 s GLU 449 CO -0.01 0.05 0.94 1.63 0.02 0.00 0.00 175.26 177.89 1xf9 n LYS 450 N -0.73 0.46 -0.42 1.61 5.02 -1.26 -1.01 118.16 121.83 1xf9 n LYS 450 Ca 0.04 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1xf9 n LYS 450 Cb 0.54 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1xf9 n LYS 450 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xf9 n GLY 451 N 1.83 2.04 3.86 0.72 0.00 -1.26 -4.91 105.19 107.47 1xf9 n GLY 451 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1xf9 n GLY 451 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xf9 s GLU 452 N -0.02 3.89 -0.19 1.61 2.02 -0.18 -4.40 118.70 121.43 1xf9 s GLU 452 Ca 0.00 0.71 -0.03 0.00 0.02 0.00 0.00 54.97 55.67 1xf9 s GLU 452 Cb 0.00 -2.28 -0.01 0.00 0.10 0.00 0.00 34.13 31.94 1xf9 s GLU 452 CO 0.00 -0.11 -0.06 1.41 0.02 0.00 0.00 175.26 176.51 1xf9 s MET 453 N -3.82 3.40 -0.23 1.61 -2.45 -1.26 -2.13 119.30 114.42 1xf9 s MET 453 Ca 0.55 -0.63 -0.08 0.00 -1.25 0.00 0.00 55.69 54.28 1xf9 s MET 453 Cb -0.10 -2.91 -0.03 0.00 1.25 0.00 0.00 34.83 33.04 1xf9 s MET 453 CO 0.29 -0.06 0.08 -1.17 1.05 0.00 0.00 175.02 175.21 1xf9 s LEU 454 N 1.11 3.62 -0.21 4.11 2.96 -0.13 -1.02 118.68 129.11 1xf9 s LEU 454 Ca 0.01 -0.10 -0.12 0.00 -0.22 0.00 0.00 54.13 53.71 1xf9 s LEU 454 Cb -0.15 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.54 1xf9 s LEU 454 CO -0.01 0.03 0.21 0.00 -1.32 0.00 0.00 176.35 175.25 1xf9 s ALA 455 N 1.26 3.62 -0.15 5.97 0.00 -0.73 -0.13 121.76 131.60 1xf9 s ALA 455 Ca 0.05 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 1xf9 s ALA 455 Cb -0.15 -2.34 -0.01 0.00 0.00 0.00 0.00 23.12 20.63 1xf9 s ALA 455 CO 0.04 -0.06 -0.11 0.42 0.00 0.00 0.00 175.76 176.05 1xf9 s ILE 456 N 0.79 3.17 0.18 0.00 1.01 0.23 -1.77 121.20 124.80 1xf9 s ILE 456 Ca 0.11 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.18 1xf9 s ILE 456 Cb -0.13 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 1xf9 s ILE 456 CO 0.03 0.51 0.18 1.07 0.00 0.00 0.00 174.94 176.72 1xf9 n THR 457 N 3.76 0.00 -1.95 2.92 5.66 -0.50 -1.09 114.28 123.08 1xf9 n THR 457 Ca -0.18 -1.18 0.00 0.00 -3.05 0.00 0.00 64.05 59.64 1xf9 n THR 457 Cb 0.52 0.62 0.00 0.00 -1.55 0.00 0.00 70.33 69.92 1xf9 n THR 457 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xf9 n GLY 458 N -0.32 -0.11 3.79 1.09 0.00 -1.26 0.62 105.19 108.99 1xf9 n GLY 458 Ca 0.03 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 1xf9 n GLY 458 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xf9 s SER 459 N -4.00 5.19 0.30 1.61 1.04 -0.67 -4.68 113.70 112.49 1xf9 s SER 459 Ca 0.00 1.84 -0.29 0.00 0.48 0.00 0.00 55.95 57.98 1xf9 s SER 459 Cb 0.00 -2.53 -0.10 0.00 0.10 0.00 0.00 66.02 63.49 1xf9 s SER 459 CO 0.00 -1.57 1.37 0.28 0.98 0.00 0.00 173.24 174.30 1xf9 s THR 460 N -2.63 2.67 -0.85 2.02 -1.32 -1.26 -2.72 115.64 111.55 1xf9 s THR 460 Ca 0.63 0.63 -0.03 0.00 -1.21 0.00 0.00 61.69 61.71 1xf9 s THR 460 Cb -0.17 -3.40 0.00 0.00 -1.51 0.00 0.00 72.50 67.42 1xf9 s THR 460 CO 0.46 0.13 0.41 0.61 -2.21 0.00 0.00 174.62 174.02 1xf9 n GLY 461 N 1.37 0.03 1.10 6.08 0.00 -1.26 -4.94 105.19 107.56 1xf9 n GLY 461 Ca 0.03 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.92 1xf9 n GLY 461 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xf9 n SER 462 N -0.72 3.35 0.00 1.61 3.41 -1.10 -4.65 113.62 115.51 1xf9 n SER 462 Ca -0.05 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 1xf9 n SER 462 Cb 0.56 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1xf9 n SER 462 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xf9 n GLY 463 N 1.43 0.85 0.29 5.00 0.00 -1.26 -1.55 105.19 109.96 1xf9 n GLY 463 Ca 0.18 -0.29 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 1xf9 n GLY 463 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xf9 h LYS 464 N 0.00 -0.66 -0.79 1.61 1.57 -1.92 -1.70 116.57 114.68 1xf9 h LYS 464 Ca 0.00 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1xf9 h LYS 464 Cb 0.00 0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 1xf9 h LYS 464 CO 0.00 -0.38 0.52 1.15 -0.57 0.00 0.00 179.45 180.17 1xf9 h THR 465 N -0.83 1.09 -0.32 -0.16 2.02 -2.00 -1.73 112.91 110.97 1xf9 h THR 465 Ca -0.07 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 1xf9 h THR 465 Cb 0.58 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1xf9 h THR 465 CO 0.11 0.17 0.03 0.28 0.37 0.00 0.00 175.52 176.48 1xf9 h SER 466 N 0.92 0.45 -0.67 4.18 0.02 -1.91 -1.53 113.55 115.01 1xf9 h SER 466 Ca 0.32 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.15 1xf9 h SER 466 Cb 0.12 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1xf9 h SER 466 CO -0.10 0.50 0.23 0.25 -1.14 0.00 0.00 176.83 176.56 1xf9 h LEU 467 N 0.47 0.97 -0.40 5.07 5.85 -0.38 -0.79 115.31 126.11 1xf9 h LEU 467 Ca 0.11 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1xf9 h LEU 467 Cb 0.27 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1xf9 h LEU 467 CO 0.00 0.90 0.18 -0.07 -0.34 0.00 0.00 178.44 179.11 1xf9 h LEU 468 N 1.01 0.53 -1.75 2.25 4.07 -1.15 -2.13 115.31 118.14 1xf9 h LEU 468 Ca 0.23 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1xf9 h LEU 468 Cb 0.27 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 1xf9 h LEU 468 CO -0.01 0.52 0.15 0.24 -1.08 0.00 0.00 178.44 178.26 1xf9 h MET 469 N 0.50 0.31 -0.31 1.13 2.86 -0.86 -0.77 114.93 117.80 1xf9 h MET 469 Ca 0.13 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1xf9 h MET 469 Cb 0.14 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1xf9 h MET 469 CO -0.02 0.22 0.16 1.25 1.06 0.00 0.00 176.91 179.58 1xf9 h LEU 470 N 0.32 0.39 -0.62 1.22 5.85 -0.51 0.50 115.31 122.46 1xf9 h LEU 470 Ca 0.09 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 1xf9 h LEU 470 Cb -0.02 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1xf9 h LEU 470 CO -0.02 0.37 0.15 0.40 -0.34 0.00 0.00 178.44 179.01 1xf9 h ILE 471 N 0.37 1.25 0.00 4.05 2.04 -0.80 -1.98 117.51 122.45 1xf9 h ILE 471 Ca 0.11 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.05 1xf9 h ILE 471 Cb 0.08 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1xf9 h ILE 471 CO -0.02 0.35 0.00 0.18 0.00 0.00 0.00 178.15 178.66 1xf9 n LEU 472 N -4.33 0.00 0.00 1.44 4.77 -0.41 -4.85 117.00 113.62 1xf9 n LEU 472 Ca 0.04 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1xf9 n LEU 472 Cb 0.25 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1xf9 n LEU 472 CO 0.41 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1xf9 n GLY 473 N -0.06 0.56 0.01 -0.72 0.00 -0.68 -4.89 105.19 99.40 1xf9 n GLY 473 Ca 0.08 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.25 1xf9 n GLY 473 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xf9 n GLU 474 N -2.38 0.37 -3.71 1.61 -0.58 0.08 -4.65 120.64 111.38 1xf9 n GLU 474 Ca 0.00 -0.02 -0.19 0.00 -0.42 0.00 0.00 57.16 56.53 1xf9 n GLU 474 Cb 0.04 -1.50 -0.17 0.00 -0.57 0.00 0.00 31.44 29.24 1xf9 n GLU 474 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1xf9 s LEU 475 N -2.64 0.42 0.08 -4.62 2.96 -1.15 -4.95 118.68 108.77 1xf9 s LEU 475 Ca 0.26 0.06 -0.26 0.00 -0.22 0.00 0.00 54.13 53.97 1xf9 s LEU 475 Cb 0.20 -0.15 -0.06 0.00 0.50 0.00 0.00 46.19 46.68 1xf9 s LEU 475 CO 0.48 -0.21 0.80 -1.83 -1.32 0.00 0.00 176.35 174.26 1xf9 s GLU 476 N 1.86 4.54 -0.52 1.98 1.03 -1.26 -4.43 118.70 121.90 1xf9 s GLU 476 Ca 0.01 1.14 -0.29 0.00 0.03 0.00 0.00 54.97 55.86 1xf9 s GLU 476 Cb -0.12 -3.35 0.03 0.00 -0.80 0.00 0.00 34.13 29.89 1xf9 s GLU 476 CO -0.03 0.32 1.20 0.00 -1.33 0.00 0.00 175.26 175.43 1xf9 s ALA 477 N -0.24 3.06 0.11 -0.84 0.00 -1.26 -4.39 121.76 118.20 1xf9 s ALA 477 Ca 0.39 -0.60 0.17 0.00 0.00 0.00 0.00 51.96 51.93 1xf9 s ALA 477 Cb -0.21 -3.97 0.52 0.00 0.00 0.00 0.00 23.12 19.45 1xf9 s ALA 477 CO 0.25 -2.48 1.66 0.77 0.00 0.00 0.00 175.76 175.95 1xf9 h SER 478 N 9.62 0.00 -4.80 0.00 0.02 -1.52 -3.45 113.55 113.41 1xf9 h SER 478 Ca -0.24 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.54 1xf9 h SER 478 Cb 1.06 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.39 1xf9 h SER 478 CO 1.15 0.44 -0.64 -1.61 -1.14 0.00 0.00 176.83 175.03 1xf9 s GLU 479 N -3.45 0.32 0.00 3.45 2.02 -0.63 -4.98 118.70 115.43 1xf9 s GLU 479 Ca 0.01 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 54.54 1xf9 s GLU 479 Cb 0.10 0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.46 1xf9 s GLU 479 CO 0.71 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 176.34 1xf9 n GLY 480 N 1.77 -0.42 3.51 -1.39 0.00 -1.12 -1.20 105.19 106.34 1xf9 n GLY 480 Ca -0.22 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 1xf9 n GLY 480 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xf9 s ILE 481 N -1.11 3.28 -0.14 -0.61 1.01 -0.25 -4.91 121.20 118.47 1xf9 s ILE 481 Ca 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 59.94 1xf9 s ILE 481 Cb 0.00 -2.31 0.05 0.00 0.01 0.00 0.00 42.46 40.21 1xf9 s ILE 481 CO 0.00 0.58 0.09 -0.51 0.00 0.00 0.00 174.94 175.10 1xf9 s ILE 482 N -0.77 -0.11 -0.08 2.92 2.07 -1.26 0.08 121.20 124.06 1xf9 s ILE 482 Ca 0.12 -0.02 0.05 0.00 -1.41 0.00 0.00 60.65 59.38 1xf9 s ILE 482 Cb -0.11 -0.48 -0.01 0.00 0.13 0.00 0.00 42.46 41.99 1xf9 s ILE 482 CO 0.01 -0.17 -0.22 -0.54 -1.91 0.00 0.00 174.94 172.11 1xf9 s LYS 483 N 2.16 2.78 -0.24 3.50 1.02 -0.04 -4.98 119.74 123.94 1xf9 s LYS 483 Ca 0.03 -0.86 -0.30 0.00 0.02 0.00 0.00 55.97 54.86 1xf9 s LYS 483 Cb -0.15 -2.27 0.17 0.00 -0.52 0.00 0.00 37.83 35.05 1xf9 s LYS 483 CO -0.08 0.33 1.24 -3.38 -0.92 0.00 0.00 175.35 172.53 1xf9 s HIS 484 N -0.01 -0.14 0.07 3.18 -3.43 -1.26 -0.58 115.29 113.11 1xf9 s HIS 484 Ca -0.07 0.22 -0.06 0.00 -0.80 0.00 0.00 55.06 54.35 1xf9 s HIS 484 Cb -0.15 0.49 -0.01 0.00 -1.43 0.00 0.00 32.58 31.47 1xf9 s HIS 484 CO 0.05 -0.15 0.12 -1.54 -2.00 0.00 0.00 174.74 171.23 1xf9 s SER 485 N -1.24 0.23 0.00 7.38 1.04 -1.26 -5.09 113.70 114.76 1xf9 s SER 485 Ca 0.06 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1xf9 s SER 485 Cb -0.01 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1xf9 s SER 485 CO -0.05 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.10 1xf9 n GLY 486 N 0.02 -2.06 3.77 7.32 0.00 -1.26 -4.58 105.19 108.40 1xf9 n GLY 486 Ca -0.15 -2.08 -0.38 0.00 0.00 0.00 0.00 46.02 43.41 1xf9 n GLY 486 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xf9 s ARG 487 N -0.19 4.65 -0.06 1.61 0.52 -1.26 -4.90 118.95 119.32 1xf9 s ARG 487 Ca 0.00 1.33 0.05 0.00 -0.52 0.00 0.00 55.73 56.59 1xf9 s ARG 487 Cb 0.00 -3.02 -0.01 0.00 0.52 0.00 0.00 34.95 32.45 1xf9 s ARG 487 CO 0.00 0.40 -0.23 0.54 0.02 0.00 0.00 175.30 176.03 1xf9 s VAL 488 N -1.41 1.92 -0.19 3.52 0.11 -1.26 -0.49 120.40 122.60 1xf9 s VAL 488 Ca 0.45 -0.98 -0.04 0.00 -2.93 0.00 0.00 61.98 58.47 1xf9 s VAL 488 Cb -0.21 -1.64 -0.02 0.00 -1.53 0.00 0.00 36.38 32.98 1xf9 s VAL 488 CO 0.27 0.54 -0.02 -0.55 -3.33 0.00 0.00 175.10 172.00 1xf9 s SER 489 N -0.04 4.75 -0.15 3.54 0.15 0.26 -4.97 113.70 117.25 1xf9 s SER 489 Ca -0.06 -0.20 0.02 0.00 0.70 0.00 0.00 55.95 56.41 1xf9 s SER 489 Cb -0.14 -1.80 0.01 0.00 -1.71 0.00 0.00 66.02 62.38 1xf9 s SER 489 CO 0.04 0.09 -0.21 0.12 1.20 0.00 0.00 173.24 174.48 1xf9 s PHE 490 N 0.84 2.67 -0.40 3.44 5.36 -1.26 -1.02 117.98 127.61 1xf9 s PHE 490 Ca -0.00 -1.41 -0.04 0.00 -0.96 0.00 0.00 56.93 54.52 1xf9 s PHE 490 Cb -0.14 -1.83 0.10 0.00 -0.34 0.00 0.00 43.02 40.81 1xf9 s PHE 490 CO 0.02 -0.66 0.20 0.00 -1.46 0.00 0.00 175.22 173.32 1xf9 s SER 492 N 1.88 4.20 0.37 0.00 1.04 -1.26 -1.37 113.70 118.56 1xf9 s SER 492 Ca 0.06 1.50 0.05 0.00 0.48 0.00 0.00 55.95 58.04 1xf9 s SER 492 Cb -0.23 -2.23 0.70 0.00 0.10 0.00 0.00 66.02 64.37 1xf9 s SER 492 CO -0.03 -2.18 1.96 -0.61 0.98 0.00 0.00 173.24 173.37 1xf9 h GLN 493 N -1.23 0.58 -6.09 4.02 4.15 -1.90 -3.38 115.11 111.25 1xf9 h GLN 493 Ca -0.47 -0.07 -0.59 0.00 0.77 0.00 0.00 58.65 58.29 1xf9 h GLN 493 Cb 1.26 -0.11 -0.08 0.00 0.21 0.00 0.00 27.48 28.76 1xf9 h GLN 493 CO 0.56 0.48 0.65 0.12 -1.93 0.00 0.00 178.83 178.71 1xf9 s PHE 494 N -5.28 3.14 -0.48 3.99 5.36 -1.26 -4.94 117.98 118.51 1xf9 s PHE 494 Ca -0.08 0.97 -0.26 0.00 -0.96 0.00 0.00 56.93 56.59 1xf9 s PHE 494 Cb 0.17 -3.55 0.03 0.00 -0.34 0.00 0.00 43.02 39.33 1xf9 s PHE 494 CO 0.75 -0.73 0.98 -1.12 -1.46 0.00 0.00 175.22 173.64 1xf9 s SER 495 N 1.71 6.50 -0.06 6.13 0.01 -1.26 -5.02 113.70 121.71 1xf9 s SER 495 Ca 0.40 0.12 -0.06 0.00 1.31 0.00 0.00 55.95 57.72 1xf9 s SER 495 Cb -0.13 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 1xf9 s SER 495 CO 0.16 -1.13 0.19 -1.66 0.41 0.00 0.00 173.24 171.21 1xf9 s TRP 496 N 3.95 3.59 -0.09 2.43 1.48 -1.26 -4.94 118.94 124.11 1xf9 s TRP 496 Ca 0.38 0.53 0.03 0.00 -1.06 0.00 0.00 56.10 55.98 1xf9 s TRP 496 Cb -0.10 -1.95 0.01 0.00 -1.16 0.00 0.00 33.47 30.27 1xf9 s TRP 496 CO 0.27 0.69 -0.18 0.42 -4.06 0.00 0.00 176.95 174.08 1xf9 s ILE 497 N -1.15 1.61 0.31 0.66 -1.09 -1.26 -4.83 121.20 115.45 1xf9 s ILE 497 Ca 0.21 -0.75 0.03 0.00 -2.23 0.00 0.00 60.65 57.91 1xf9 s ILE 497 Cb -0.13 -1.42 -0.03 0.00 -1.58 0.00 0.00 42.46 39.30 1xf9 s ILE 497 CO 0.10 0.46 0.47 0.00 -1.23 0.00 0.00 174.94 174.74 1xf9 s MET 498 N 0.56 3.38 0.31 2.79 0.23 -1.26 -1.32 119.30 123.98 1xf9 s MET 498 Ca -0.16 -0.63 -0.29 0.00 -1.03 0.00 0.00 55.69 53.59 1xf9 s MET 498 Cb -0.17 -2.77 -0.10 0.00 -1.53 0.00 0.00 34.83 30.26 1xf9 s MET 498 CO 0.05 0.22 1.37 -2.14 -2.03 0.00 0.00 175.02 172.49 1xf9 s PRO 499 N -4.18 4.29 0.00 3.16 0.02 -1.26 -4.58 135.00 132.46 1xf9 s PRO 499 Ca 0.39 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.71 1xf9 s PRO 499 Cb -0.09 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.36 1xf9 s PRO 499 CO 0.33 -0.31 0.00 0.41 -0.33 0.00 0.00 177.00 177.09 1xf9 n GLY 500 N 1.16 0.24 3.94 0.52 0.00 -1.08 -4.95 105.19 105.02 1xf9 n GLY 500 Ca 0.02 -1.70 -0.25 0.00 0.00 0.00 0.00 46.02 44.09 1xf9 n GLY 500 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xf9 s THR 501 N -2.29 2.91 0.22 2.61 -4.23 -1.26 0.48 115.64 114.07 1xf9 s THR 501 Ca 0.00 -0.28 -0.09 0.00 -1.18 0.00 0.00 61.69 60.14 1xf9 s THR 501 Cb 0.00 -3.18 0.18 0.00 1.34 0.00 0.00 72.50 70.84 1xf9 s THR 501 CO 0.00 -0.17 1.88 0.40 -0.54 0.00 0.00 174.62 176.19 1xf9 h ILE 502 N -0.26 1.22 -0.25 2.99 2.04 -1.42 0.24 117.51 122.07 1xf9 h ILE 502 Ca -0.44 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 64.94 1xf9 h ILE 502 Cb 1.29 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1xf9 h ILE 502 CO 0.59 0.22 0.04 0.50 0.00 0.00 0.00 178.15 179.49 1xf9 h LYS 503 N 1.12 0.42 -0.92 2.37 3.64 -1.53 -2.05 116.57 119.62 1xf9 h LYS 503 Ca 0.30 -0.12 0.09 0.00 -1.27 0.00 0.00 60.65 59.66 1xf9 h LYS 503 Cb -0.08 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.61 1xf9 h LYS 503 CO -0.06 0.55 0.56 0.93 -2.27 0.00 0.00 179.45 179.16 1xf9 h GLU 504 N 0.23 0.91 -0.13 1.90 5.08 -1.65 -1.37 114.58 119.55 1xf9 h GLU 504 Ca 0.08 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1xf9 h GLU 504 Cb 0.34 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1xf9 h GLU 504 CO 0.01 0.60 -0.32 -0.91 -1.00 0.00 0.00 179.01 177.39 1xf9 h ASN 505 N 0.94 0.26 0.10 1.42 2.35 -0.22 0.72 115.58 121.16 1xf9 h ASN 505 Ca 0.43 -0.09 -0.26 0.00 -0.55 0.00 0.00 56.30 55.83 1xf9 h ASN 505 Cb 0.35 -0.07 0.02 0.00 0.05 0.00 0.00 38.32 38.67 1xf9 h ASN 505 CO -0.23 0.58 -1.05 0.40 -1.65 0.00 0.00 177.43 175.47 1xf9 h ILE 506 N 0.23 1.31 0.12 2.81 2.04 -0.62 -3.34 117.51 120.05 1xf9 h ILE 506 Ca 0.03 -2.33 -0.29 0.00 1.00 0.00 0.00 64.86 63.27 1xf9 h ILE 506 Cb 0.68 2.44 -0.00 0.00 -0.74 0.00 0.00 36.82 39.20 1xf9 h ILE 506 CO 0.05 0.71 -1.37 0.40 0.00 0.00 0.00 178.15 177.95 1xf9 h ILE 507 N 0.34 1.35 0.00 -0.67 2.04 -1.23 -3.38 117.51 115.96 1xf9 h ILE 507 Ca -0.13 -2.95 0.00 0.00 1.00 0.00 0.00 64.86 62.78 1xf9 h ILE 507 Cb 1.71 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 40.65 1xf9 h ILE 507 CO 0.20 0.86 0.00 -1.20 0.00 0.00 0.00 178.15 178.01 1xf9 n SER 508 N -3.49 0.00 -2.15 1.72 7.64 0.24 -1.43 113.62 116.15 1xf9 n SER 508 Ca -0.12 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.50 1xf9 n SER 508 Cb 1.03 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 64.28 1xf9 n SER 508 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xf9 n GLY 509 N 0.00 4.93 3.23 0.23 0.00 -1.26 -4.94 105.19 107.37 1xf9 n GLY 509 Ca 0.00 -1.71 -0.24 0.00 0.00 0.00 0.00 46.02 44.07 1xf9 n GLY 509 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xf9 s VAL 510 N -3.47 1.53 0.22 1.61 1.01 -0.51 -5.10 120.40 115.68 1xf9 s VAL 510 Ca 0.48 -1.19 -0.32 0.00 0.00 0.00 0.00 61.98 60.95 1xf9 s VAL 510 Cb 0.37 -1.35 -0.13 0.00 0.00 0.00 0.00 36.38 35.28 1xf9 s VAL 510 CO -0.04 0.12 1.58 -1.54 0.00 0.00 0.00 175.10 175.23 1xf9 n SER 511 N 1.77 3.41 -4.76 3.32 3.41 -1.26 -4.93 113.62 114.58 1xf9 n SER 511 Ca -0.18 1.10 -0.40 0.00 -0.26 0.00 0.00 58.87 59.14 1xf9 n SER 511 Cb 0.54 -1.50 -0.04 0.00 -0.26 0.00 0.00 64.21 62.95 1xf9 n SER 511 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1xf9 s TYR 512 N 0.56 3.41 -0.32 7.33 5.04 -1.26 -5.03 117.35 127.08 1xf9 s TYR 512 Ca 0.72 1.64 -0.00 0.00 -2.44 0.00 0.00 57.07 56.99 1xf9 s TYR 512 Cb -0.59 -3.33 0.13 0.00 0.35 0.00 0.00 41.96 38.52 1xf9 s TYR 512 CO 0.41 -0.83 0.27 0.34 -1.34 0.00 0.00 175.55 174.41 1xf9 s ASP 513 N -0.93 2.13 0.14 4.32 -1.08 -1.26 -5.05 116.67 114.93 1xf9 s ASP 513 Ca 0.48 -1.31 -0.07 0.00 -0.52 0.00 0.00 52.55 51.13 1xf9 s ASP 513 Cb -0.32 0.20 0.19 0.00 -1.46 0.00 0.00 42.92 41.54 1xf9 s ASP 513 CO 0.41 -0.35 0.86 1.21 0.52 0.00 0.00 175.17 177.82 1xf9 n GLU 514 N 4.81 -0.09 0.00 4.34 4.07 -1.26 -0.96 120.64 131.56 1xf9 n GLU 514 Ca 0.03 0.86 -0.18 0.00 -0.06 0.00 0.00 57.16 57.81 1xf9 n GLU 514 Cb 0.44 -1.28 -0.11 0.00 -0.06 0.00 0.00 31.44 30.43 1xf9 n GLU 514 CO 0.00 0.00 0.00 -0.92 -0.06 0.00 0.00 177.13 176.15 1xf9 h TYR 515 N 0.00 0.66 -0.94 4.31 3.20 -1.99 -2.59 116.97 119.61 1xf9 h TYR 515 Ca 0.23 -0.35 0.05 0.00 3.14 0.00 0.00 58.73 61.80 1xf9 h TYR 515 Cb 0.37 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.50 1xf9 h TYR 515 CO -0.46 1.17 0.60 -0.09 -1.64 0.00 0.00 178.16 177.75 1xf9 h ARG 516 N -0.04 1.10 0.33 1.82 2.43 -1.48 0.13 114.38 118.67 1xf9 h ARG 516 Ca -0.08 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 1xf9 h ARG 516 Cb 1.34 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1xf9 h ARG 516 CO 0.13 0.73 -0.16 -0.92 -1.51 0.00 0.00 179.97 178.23 1xf9 h TYR 517 N 1.13 -0.42 -0.41 2.20 3.20 -1.20 0.45 116.97 121.93 1xf9 h TYR 517 Ca 0.39 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.26 1xf9 h TYR 517 Cb 0.10 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 1xf9 h TYR 517 CO -0.01 -0.10 0.27 0.87 -1.64 0.00 0.00 178.16 177.55 1xf9 h LYS 518 N -0.75 0.51 0.08 1.82 1.57 -1.32 0.17 116.57 118.64 1xf9 h LYS 518 Ca -0.05 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1xf9 h LYS 518 Cb 0.50 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1xf9 h LYS 518 CO 0.08 0.34 -0.04 1.03 -0.57 0.00 0.00 179.45 180.28 1xf9 h SER 519 N 0.53 -0.09 0.25 0.86 0.87 -0.56 -0.71 113.55 114.70 1xf9 h SER 519 Ca 0.15 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1xf9 h SER 519 Cb -0.02 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1xf9 h SER 519 CO -0.03 0.04 -0.12 0.58 -0.53 0.00 0.00 176.83 176.76 1xf9 h VAL 520 N -0.21 0.78 -0.62 2.23 2.07 0.07 -1.77 116.25 118.80 1xf9 h VAL 520 Ca -0.01 -0.19 0.12 0.00 0.82 0.00 0.00 66.70 67.44 1xf9 h VAL 520 Cb 0.18 0.89 -0.09 0.00 -1.52 0.00 0.00 31.29 30.75 1xf9 h VAL 520 CO 0.02 0.04 0.10 0.58 0.02 0.00 0.00 177.57 178.33 1xf9 h VAL 521 N -0.44 0.59 0.15 2.57 2.07 -0.68 -0.44 116.25 120.08 1xf9 h VAL 521 Ca -0.03 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1xf9 h VAL 521 Cb 0.33 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1xf9 h VAL 521 CO 0.06 0.04 -0.07 0.50 0.02 0.00 0.00 177.57 178.11 1xf9 h LYS 522 N 0.23 -0.20 0.00 1.57 3.64 -0.94 -1.86 116.57 119.00 1xf9 h LYS 522 Ca 0.33 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.69 1xf9 h LYS 522 Cb 0.51 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1xf9 h LYS 522 CO -0.44 -0.09 -0.16 0.00 -2.27 0.00 0.00 179.45 176.49 1xf9 h ALA 523 N 0.58 1.33 -0.34 5.00 0.00 -0.85 -1.69 119.26 123.28 1xf9 h ALA 523 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1xf9 h ALA 523 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xf9 h ALA 523 CO 0.03 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1xf9 n GLN 525 N 0.50 -4.56 0.00 0.00 1.13 -0.64 -4.87 117.38 108.95 1xf9 n GLN 525 Ca 0.13 0.51 0.11 0.00 -1.94 0.00 0.00 57.00 55.81 1xf9 n GLN 525 Cb 0.42 -5.24 0.08 0.00 0.11 0.00 0.00 30.24 25.61 1xf9 n GLN 525 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1xf9 n LEU 526 N -4.53 0.97 -0.08 1.08 4.77 -0.71 -4.14 117.00 114.36 1xf9 n LEU 526 Ca -0.02 -0.33 -0.07 0.00 -0.03 0.00 0.00 56.01 55.55 1xf9 n LEU 526 Cb 0.55 -0.10 0.10 0.00 -2.33 0.00 0.00 43.42 41.64 1xf9 n LEU 526 CO 0.78 0.22 0.71 -0.61 -1.33 0.00 0.00 177.39 177.16 1xf9 h GLN 527 N 0.48 0.75 -0.18 3.23 5.75 -1.86 -0.66 115.11 122.61 1xf9 h GLN 527 Ca 0.00 -0.30 -0.01 0.00 -0.15 0.00 0.00 58.65 58.20 1xf9 h GLN 527 Cb 0.54 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.04 1xf9 h GLN 527 CO 0.00 0.90 0.08 1.96 -2.65 0.00 0.00 178.83 179.12 1xf9 h GLN 528 N 0.66 0.24 0.00 1.69 7.50 -1.94 -2.77 115.11 120.49 1xf9 h GLN 528 Ca 0.09 -0.02 -0.03 0.00 0.50 0.00 0.00 58.65 59.19 1xf9 h GLN 528 Cb 0.71 -0.05 -0.00 0.00 0.05 0.00 0.00 27.48 28.19 1xf9 h GLN 528 CO 0.05 0.20 -0.25 -0.44 -1.50 0.00 0.00 178.83 176.89 1xf9 h ASP 529 N 0.24 0.00 0.22 1.46 3.32 -1.56 -3.38 116.42 116.73 1xf9 h ASP 529 Ca 0.06 -0.43 -0.02 0.00 0.02 0.00 0.00 57.03 56.67 1xf9 h ASP 529 Cb 0.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 1xf9 h ASP 529 CO -0.01 0.85 -0.08 0.16 -1.72 0.00 0.00 179.24 178.45 1xf9 h ILE 530 N -1.00 0.57 0.00 0.35 3.07 -1.19 -1.96 117.51 117.35 1xf9 h ILE 530 Ca -0.05 -0.34 0.00 0.00 1.55 0.00 0.00 64.86 66.03 1xf9 h ILE 530 Cb 0.61 1.21 0.00 0.00 -0.27 0.00 0.00 36.82 38.38 1xf9 h ILE 530 CO -0.03 0.07 0.00 1.07 -1.05 0.00 0.00 178.15 178.22 1xf9 n THR 531 N -3.74 0.86 0.94 0.16 5.66 -1.05 -1.72 114.28 115.41 1xf9 n THR 531 Ca -0.02 0.27 0.13 0.00 -3.05 0.00 0.00 64.05 61.38 1xf9 n THR 531 Cb 0.18 -1.20 0.48 0.00 -1.55 0.00 0.00 70.33 68.24 1xf9 n THR 531 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1xf9 n LYS 532 N -2.19 0.04 -4.18 1.09 5.02 -0.73 -4.87 118.16 112.34 1xf9 n LYS 532 Ca 0.02 0.02 -0.34 0.00 -2.02 0.00 0.00 58.31 55.99 1xf9 n LYS 532 Cb 0.21 -1.54 -0.08 0.00 -0.02 0.00 0.00 35.03 33.60 1xf9 n LYS 532 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1xf9 s PHE 533 N -3.02 3.27 0.17 2.13 0.08 -0.70 -5.02 117.98 114.90 1xf9 s PHE 533 Ca 0.13 0.24 -0.22 0.00 0.12 0.00 0.00 56.93 57.20 1xf9 s PHE 533 Cb 0.18 -1.78 0.09 0.00 -0.57 0.00 0.00 43.02 40.93 1xf9 s PHE 533 CO 0.59 0.55 1.60 0.00 -0.10 0.00 0.00 175.22 177.85 1xf9 h ALA 534 N 4.63 -0.09 -0.79 5.36 0.00 -1.89 -1.46 119.26 125.01 1xf9 h ALA 534 Ca -0.51 0.13 -0.33 0.00 0.00 0.00 0.00 54.91 54.20 1xf9 h ALA 534 Cb 1.19 0.68 -0.20 0.00 0.00 0.00 0.00 17.79 19.47 1xf9 h ALA 534 CO 0.58 -0.68 0.42 0.39 0.00 0.00 0.00 179.25 179.96 1xf9 n GLU 535 N -5.42 2.89 0.00 0.00 -0.58 -1.26 -5.03 120.64 111.24 1xf9 n GLU 535 Ca 0.02 -2.79 0.00 0.00 -0.42 0.00 0.00 57.16 53.97 1xf9 n GLU 535 Cb 0.34 -2.12 0.00 0.00 -0.57 0.00 0.00 31.44 29.09 1xf9 n GLU 535 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1xf9 n GLN 536 N -0.52 0.00 -0.10 3.49 1.13 -0.55 0.24 117.38 121.07 1xf9 n GLN 536 Ca 0.46 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.53 1xf9 n GLN 536 Cb 1.44 0.00 0.05 0.00 0.11 0.00 0.00 30.24 31.84 1xf9 n GLN 536 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1xf9 n ASP 537 N 1.47 1.24 -0.69 1.08 5.75 -1.26 -2.44 116.55 121.70 1xf9 n ASP 537 Ca 0.00 -2.08 0.08 0.00 -0.01 0.00 0.00 54.79 52.78 1xf9 n ASP 537 Cb 0.00 -0.35 0.10 0.00 -1.03 0.00 0.00 41.12 39.84 1xf9 n ASP 537 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1xf9 n ASN 538 N -0.02 2.53 -4.73 -1.12 3.02 0.14 -1.38 115.26 113.70 1xf9 n ASN 538 Ca 0.04 -1.73 -0.42 0.00 -0.03 0.00 0.00 54.58 52.44 1xf9 n ASN 538 Cb 0.27 -0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.34 1xf9 n ASN 538 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xf9 s THR 539 N -1.24 2.15 -0.05 3.41 2.01 -1.02 -4.77 115.64 116.13 1xf9 s THR 539 Ca 0.22 0.11 -0.25 0.00 0.31 0.00 0.00 61.69 62.08 1xf9 s THR 539 Cb 0.14 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.54 1xf9 s THR 539 CO 0.20 0.01 0.77 -0.69 -0.69 0.00 0.00 174.62 174.22 1xf9 s VAL 540 N 0.92 5.00 0.04 3.82 1.01 -1.26 -2.00 120.40 127.93 1xf9 s VAL 540 Ca 0.71 1.59 0.02 0.00 0.00 0.00 0.00 61.98 64.31 1xf9 s VAL 540 Cb -0.48 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 1xf9 s VAL 540 CO 0.35 0.22 0.03 -0.76 0.00 0.00 0.00 175.10 174.95 1xf9 s LEU 541 N 0.89 3.63 0.27 3.92 1.43 0.18 -4.96 118.68 124.04 1xf9 s LEU 541 Ca 0.41 -0.03 -0.09 0.00 -1.03 0.00 0.00 54.13 53.39 1xf9 s LEU 541 Cb -0.18 -2.21 -0.07 0.00 0.03 0.00 0.00 46.19 43.75 1xf9 s LEU 541 CO 0.20 0.23 0.60 -0.83 0.23 0.00 0.00 176.35 176.78 1xf9 s GLY 542 N -1.97 2.17 -0.08 -3.19 0.00 -1.26 -2.62 107.32 100.37 1xf9 s GLY 542 Ca 0.24 -0.28 -0.41 0.00 0.00 0.00 0.00 44.72 44.27 1xf9 s GLY 542 CO 0.16 -0.13 1.21 -2.21 0.00 0.00 0.00 173.10 172.13 1xf9 n GLU 543 N -0.45 0.19 0.00 2.90 4.07 -1.26 0.12 120.64 126.21 1xf9 n GLU 543 Ca 0.01 0.07 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 1xf9 n GLU 543 Cb 0.53 -1.60 0.00 0.00 -0.06 0.00 0.00 31.44 30.31 1xf9 n GLU 543 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1xf9 n GLY 544 N 2.13 2.12 4.22 8.31 0.00 -0.44 -4.47 105.19 117.06 1xf9 n GLY 544 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1xf9 n GLY 544 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xf9 n GLY 545 N -2.00 -0.41 0.34 -0.02 0.00 0.32 -4.70 105.19 98.73 1xf9 n GLY 545 Ca 0.00 0.24 0.06 0.00 0.00 0.00 0.00 46.02 46.32 1xf9 n GLY 545 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xf9 h VAL 546 N -2.14 1.05 -0.13 1.61 2.07 -1.78 -2.88 116.25 114.05 1xf9 h VAL 546 Ca -0.68 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1xf9 h VAL 546 Cb 1.40 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1xf9 h VAL 546 CO 0.63 0.13 0.00 0.35 0.02 0.00 0.00 177.57 178.70 1xf9 n THR 547 N -4.47 0.16 -2.22 2.57 -2.24 -1.26 -4.87 114.28 101.95 1xf9 n THR 547 Ca 0.08 -0.33 -0.28 0.00 -2.27 0.00 0.00 64.05 61.26 1xf9 n THR 547 Cb 0.17 0.42 0.03 0.00 -2.10 0.00 0.00 70.33 68.86 1xf9 n THR 547 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xf9 s LEU 548 N -1.69 3.16 0.69 3.22 1.02 -1.09 -5.07 118.68 118.92 1xf9 s LEU 548 Ca 0.34 0.90 -0.10 0.00 0.02 0.00 0.00 54.13 55.30 1xf9 s LEU 548 Cb 0.19 -3.74 0.03 0.00 0.02 0.00 0.00 46.19 42.68 1xf9 s LEU 548 CO 0.28 -1.10 1.05 -0.94 0.02 0.00 0.00 176.35 175.66 1xf9 s SER 549 N -4.30 5.28 0.29 2.29 1.04 -1.26 -4.92 113.70 112.13 1xf9 s SER 549 Ca 0.55 0.92 -0.01 0.00 0.48 0.00 0.00 55.95 57.89 1xf9 s SER 549 Cb -0.11 -1.70 0.44 0.00 0.10 0.00 0.00 66.02 64.75 1xf9 s SER 549 CO 0.48 -1.38 1.87 1.23 0.98 0.00 0.00 173.24 176.42 1xf9 h GLY 550 N -0.59 0.93 1.25 7.32 0.00 -1.97 -2.33 103.07 107.68 1xf9 h GLY 550 Ca -0.45 -0.48 -0.18 0.00 0.00 0.00 0.00 47.33 46.22 1xf9 h GLY 550 CO 0.63 0.45 -0.56 -1.33 0.00 0.00 0.00 176.54 175.74 1xf9 h GLY 551 N 0.97 0.86 0.93 4.60 0.00 -1.96 -1.39 103.07 107.08 1xf9 h GLY 551 Ca 0.20 -1.01 0.02 0.00 0.00 0.00 0.00 47.33 46.54 1xf9 h GLY 551 CO -0.02 0.91 0.56 1.46 0.00 0.00 0.00 176.54 179.45 1xf9 h GLN 552 N 0.60 1.07 -0.02 4.80 4.20 -1.86 0.64 115.11 124.54 1xf9 h GLN 552 Ca 0.01 -0.06 -0.17 0.00 0.06 0.00 0.00 58.65 58.48 1xf9 h GLN 552 Cb 1.15 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 1xf9 h GLN 552 CO 0.12 0.71 -0.76 0.00 -0.67 0.00 0.00 178.83 178.23 1xf9 h ARG 553 N 1.11 0.20 -0.40 1.46 3.08 -1.33 -1.89 114.38 116.60 1xf9 h ARG 553 Ca 0.33 -0.18 -0.12 0.00 0.07 0.00 0.00 59.98 60.08 1xf9 h ARG 553 Cb -0.05 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1xf9 h ARG 553 CO -0.10 0.87 -0.24 0.00 -1.07 0.00 0.00 179.97 179.43 1xf9 h ALA 554 N 1.08 0.83 -0.18 0.04 0.00 -0.62 -1.68 119.26 118.73 1xf9 h ALA 554 Ca -0.03 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1xf9 h ALA 554 Cb 1.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1xf9 h ALA 554 CO 0.12 0.64 0.02 0.00 0.00 0.00 0.00 179.25 180.03 1xf9 h ARG 555 N 0.70 0.31 -0.96 0.00 3.08 -0.78 0.17 114.38 116.90 1xf9 h ARG 555 Ca 0.09 -0.09 0.03 0.00 0.07 0.00 0.00 59.98 60.08 1xf9 h ARG 555 Cb 0.77 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.73 1xf9 h ARG 555 CO 0.06 0.49 0.63 0.82 -1.07 0.00 0.00 179.97 180.90 1xf9 h ILE 556 N 0.09 1.19 -0.44 2.04 2.04 -1.33 0.12 117.51 121.22 1xf9 h ILE 556 Ca 0.05 -0.42 -0.09 0.00 1.00 0.00 0.00 64.86 65.39 1xf9 h ILE 556 Cb 0.34 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 1xf9 h ILE 556 CO 0.01 0.23 -0.10 -1.28 0.00 0.00 0.00 178.15 177.00 1xf9 h SER 557 N 1.24 0.84 -0.33 1.72 0.87 -0.98 -0.80 113.55 116.10 1xf9 h SER 557 Ca 0.37 -0.36 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 1xf9 h SER 557 Cb -0.04 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 1xf9 h SER 557 CO -0.10 1.01 -0.03 0.25 -0.53 0.00 0.00 176.83 177.43 1xf9 h LEU 558 N 0.67 0.60 -0.67 2.23 5.85 -0.24 -2.75 115.31 121.00 1xf9 h LEU 558 Ca 0.11 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.55 1xf9 h LEU 558 Cb 0.63 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 1xf9 h LEU 558 CO 0.04 0.78 0.40 0.00 -0.34 0.00 0.00 178.44 179.32 1xf9 h ALA 559 N 0.84 0.89 -0.66 1.25 0.00 -0.58 0.12 119.26 121.11 1xf9 h ALA 559 Ca 0.09 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1xf9 h ALA 559 Cb 0.49 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1xf9 h ALA 559 CO 0.02 0.12 0.34 -0.09 0.00 0.00 0.00 179.25 179.64 1xf9 h ARG 560 N 0.76 0.58 -0.07 0.00 2.43 -0.96 0.24 114.38 117.36 1xf9 h ARG 560 Ca 0.28 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 59.23 1xf9 h ARG 560 Cb 0.10 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1xf9 h ARG 560 CO -0.14 0.39 -0.76 0.00 -1.51 0.00 0.00 179.97 177.95 1xf9 h ALA 561 N 1.38 0.56 -0.05 2.80 0.00 -1.09 -3.06 119.26 119.80 1xf9 h ALA 561 Ca 0.31 -0.62 -0.21 0.00 0.00 0.00 0.00 54.91 54.39 1xf9 h ALA 561 Cb 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1xf9 h ALA 561 CO -0.23 0.77 -0.84 0.28 0.00 0.00 0.00 179.25 179.23 1xf9 h VAL 562 N 0.28 1.37 -0.56 0.00 2.07 -0.57 -3.13 116.25 115.71 1xf9 h VAL 562 Ca -0.04 -2.27 -0.01 0.00 0.82 0.00 0.00 66.70 65.20 1xf9 h VAL 562 Cb 1.34 2.25 -0.03 0.00 -1.52 0.00 0.00 31.29 33.33 1xf9 h VAL 562 CO 0.13 0.68 0.29 0.22 0.02 0.00 0.00 177.57 178.92 1xf9 h TYR 563 N 0.29 0.75 -2.72 1.57 3.20 -0.56 -3.40 116.97 116.10 1xf9 h TYR 563 Ca -0.06 -0.01 -0.55 0.00 3.14 0.00 0.00 58.73 61.25 1xf9 h TYR 563 Cb 1.45 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.47 1xf9 h TYR 563 CO 0.06 0.54 1.00 0.21 -1.64 0.00 0.00 178.16 178.33 1xf9 s LYS 564 N -5.51 4.21 -0.22 1.82 2.20 -1.16 -4.96 119.74 116.12 1xf9 s LYS 564 Ca -0.10 2.09 -0.27 0.00 -0.36 0.00 0.00 55.97 57.33 1xf9 s LYS 564 Cb 0.17 -3.83 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 1xf9 s LYS 564 CO 0.77 -0.76 0.96 0.34 -0.36 0.00 0.00 175.35 176.30 1xf9 s ASP 565 N 2.76 7.01 0.33 1.43 2.15 -1.26 -4.96 116.67 124.12 1xf9 s ASP 565 Ca 0.69 1.26 0.01 0.00 0.43 0.00 0.00 52.55 54.94 1xf9 s ASP 565 Cb -0.32 -2.50 -0.01 0.00 -0.30 0.00 0.00 42.92 39.79 1xf9 s ASP 565 CO 0.27 -0.59 0.39 0.00 -0.17 0.00 0.00 175.17 175.07 1xf9 s ALA 566 N 2.97 1.17 -0.14 3.66 0.00 -1.26 -4.99 121.76 123.15 1xf9 s ALA 566 Ca 0.41 -1.72 0.19 0.00 0.00 0.00 0.00 51.96 50.84 1xf9 s ALA 566 Cb -0.15 1.28 -0.14 0.00 0.00 0.00 0.00 23.12 24.11 1xf9 s ALA 566 CO 0.07 -0.74 0.78 -0.25 0.00 0.00 0.00 175.76 175.62 1xf9 n ASP 567 N -1.40 0.69 -3.73 0.00 8.00 0.35 -4.65 116.55 115.82 1xf9 n ASP 567 Ca 0.03 0.29 -0.16 0.00 0.71 0.00 0.00 54.79 55.66 1xf9 n ASP 567 Cb 0.62 0.51 -0.16 0.00 -0.02 0.00 0.00 41.12 42.07 1xf9 n ASP 567 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1xf9 s LEU 568 N -5.50 0.58 -0.20 0.64 2.96 -0.83 -2.22 118.68 114.11 1xf9 s LEU 568 Ca -0.04 0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 54.00 1xf9 s LEU 568 Cb 0.09 0.09 -0.02 0.00 0.50 0.00 0.00 46.19 46.86 1xf9 s LEU 568 CO 0.82 -0.18 -0.02 -0.31 -1.32 0.00 0.00 176.35 175.34 1xf9 s TYR 569 N 1.54 3.00 -0.39 5.38 1.51 0.01 -0.57 117.35 127.83 1xf9 s TYR 569 Ca -0.04 -0.60 -0.06 0.00 -1.01 0.00 0.00 57.07 55.36 1xf9 s TYR 569 Cb -0.12 -2.06 0.08 0.00 -0.11 0.00 0.00 41.96 39.74 1xf9 s TYR 569 CO -0.04 -0.32 0.19 -0.51 -1.11 0.00 0.00 175.55 173.76 1xf9 s LEU 570 N 1.05 4.87 -0.42 -1.29 1.43 -0.19 0.17 118.68 124.31 1xf9 s LEU 570 Ca 0.01 -1.53 -0.09 0.00 -1.03 0.00 0.00 54.13 51.49 1xf9 s LEU 570 Cb -0.14 -1.89 0.08 0.00 0.03 0.00 0.00 46.19 44.26 1xf9 s LEU 570 CO 0.01 -0.47 0.26 -0.76 0.23 0.00 0.00 176.35 175.62 1xf9 s LEU 571 N 1.33 5.14 -0.94 1.79 1.43 0.14 -1.59 118.68 125.99 1xf9 s LEU 571 Ca 0.02 -1.47 -0.17 0.00 -1.03 0.00 0.00 54.13 51.49 1xf9 s LEU 571 Cb -0.22 -2.00 0.16 0.00 0.03 0.00 0.00 46.19 44.16 1xf9 s LEU 571 CO 0.00 -0.53 1.08 -0.62 0.23 0.00 0.00 176.35 176.51 1xf9 s ASP 572 N 2.10 6.72 -1.22 2.29 -1.08 -0.47 -0.87 116.67 124.14 1xf9 s ASP 572 Ca 0.03 -2.32 -0.05 0.00 -0.52 0.00 0.00 52.55 49.69 1xf9 s ASP 572 Cb -0.23 -2.35 0.01 0.00 -1.46 0.00 0.00 42.92 38.88 1xf9 s ASP 572 CO 0.02 -0.90 0.63 -1.20 0.52 0.00 0.00 175.17 174.25 1xf9 n SER 573 N 5.79 -5.38 0.32 -0.34 7.64 -0.57 -3.07 113.62 118.01 1xf9 n SER 573 Ca 0.23 -0.29 0.20 0.00 1.01 0.00 0.00 58.87 60.02 1xf9 n SER 573 Cb 0.48 -4.15 1.02 0.00 -1.01 0.00 0.00 64.21 60.55 1xf9 n SER 573 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1xf9 h PRO 574 N -1.45 0.00 -3.47 1.43 0.13 -1.82 -3.36 132.00 123.46 1xf9 h PRO 574 Ca -0.44 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 63.92 1xf9 h PRO 574 Cb 1.30 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.13 1xf9 h PRO 574 CO 0.46 0.01 0.30 1.19 -0.23 0.00 0.00 178.00 179.73 1xf9 n PHE 575 N -3.13 4.91 -2.54 1.56 3.72 -1.26 -4.72 117.46 116.00 1xf9 n PHE 575 Ca -0.02 -3.96 -0.01 0.00 -0.05 0.00 0.00 57.45 53.42 1xf9 n PHE 575 Cb 0.16 -1.53 0.03 0.00 -0.94 0.00 0.00 39.48 37.20 1xf9 n PHE 575 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xf9 n GLY 576 N 2.52 1.35 3.70 1.37 0.00 -1.26 -4.82 105.19 108.06 1xf9 n GLY 576 Ca 0.23 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 1xf9 n GLY 576 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xf9 s TYR 577 N -1.11 2.39 0.23 1.61 2.02 -1.26 -4.50 117.35 116.73 1xf9 s TYR 577 Ca 0.20 -0.70 -0.07 0.00 -0.37 0.00 0.00 57.07 56.13 1xf9 s TYR 577 Cb 0.30 -1.82 0.21 0.00 -0.40 0.00 0.00 41.96 40.25 1xf9 s TYR 577 CO -0.09 0.27 1.87 -0.07 -1.57 0.00 0.00 175.55 175.96 1xf9 h LEU 578 N 1.52 1.11 -5.62 -1.29 3.38 -2.00 -3.31 115.31 109.11 1xf9 h LEU 578 Ca -0.43 -0.08 -0.39 0.00 0.09 0.00 0.00 57.88 57.06 1xf9 h LEU 578 Cb 1.26 -0.28 0.02 0.00 0.09 0.00 0.00 40.66 41.75 1xf9 h LEU 578 CO 0.75 0.87 2.47 -0.90 0.09 0.00 0.00 178.44 181.71 1xf9 n ASP 579 N -4.36 4.28 -0.14 -0.43 5.75 -1.26 -4.66 116.55 115.73 1xf9 n ASP 579 Ca 0.10 -2.35 0.24 0.00 -0.01 0.00 0.00 54.79 52.76 1xf9 n ASP 579 Cb 0.07 -1.06 0.66 0.00 -1.03 0.00 0.00 41.12 39.76 1xf9 n ASP 579 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 1xf9 h VAL 580 N 3.62 0.64 -0.38 2.12 -1.51 -1.98 -2.50 116.25 116.27 1xf9 h VAL 580 Ca 0.45 -0.04 -0.16 0.00 -1.23 0.00 0.00 66.70 65.72 1xf9 h VAL 580 Cb 0.22 0.53 -0.01 0.00 -2.13 0.00 0.00 31.29 29.90 1xf9 h VAL 580 CO 1.49 0.02 -0.40 -0.26 -1.23 0.00 0.00 177.57 177.19 1xf9 h PHE 581 N 0.11 1.13 -0.66 5.19 0.04 -1.94 -2.54 116.94 118.27 1xf9 h PHE 581 Ca 0.38 -0.35 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 1xf9 h PHE 581 Cb 1.36 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 39.25 1xf9 h PHE 581 CO -0.00 1.18 0.12 1.15 -0.60 0.00 0.00 178.31 180.16 1xf9 h THR 582 N 0.76 1.26 -0.38 -1.55 2.02 -1.85 -2.25 112.91 110.92 1xf9 h THR 582 Ca 0.06 -1.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.21 1xf9 h THR 582 Cb 1.00 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1xf9 h THR 582 CO 0.10 0.38 0.13 -0.33 0.37 0.00 0.00 175.52 176.16 1xf9 h GLU 583 N 1.01 0.55 -0.36 6.66 5.08 -1.43 0.29 114.58 126.37 1xf9 h GLU 583 Ca 0.20 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 1xf9 h GLU 583 Cb 0.41 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1xf9 h GLU 583 CO 0.01 0.48 -0.27 0.93 -1.00 0.00 0.00 179.01 179.15 1xf9 h GLU 584 N 0.54 0.82 -0.16 2.33 5.08 -1.10 -0.66 114.58 121.43 1xf9 h GLU 584 Ca 0.13 -0.40 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 1xf9 h GLU 584 Cb 0.16 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1xf9 h GLU 584 CO -0.01 1.04 0.01 0.37 -1.00 0.00 0.00 179.01 179.42 1xf9 h GLN 585 N 0.61 0.27 -0.83 2.33 5.75 -0.76 -2.36 115.11 120.13 1xf9 h GLN 585 Ca 0.07 -0.08 0.08 0.00 -0.15 0.00 0.00 58.65 58.56 1xf9 h GLN 585 Cb 0.84 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 29.31 1xf9 h GLN 585 CO 0.07 0.48 0.54 0.28 -2.65 0.00 0.00 178.83 177.55 1xf9 h VAL 586 N 0.03 1.01 -0.42 2.39 2.07 -0.37 0.11 116.25 121.07 1xf9 h VAL 586 Ca 0.05 -0.30 -0.11 0.00 0.82 0.00 0.00 66.70 67.16 1xf9 h VAL 586 Cb 0.35 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1xf9 h VAL 586 CO 0.01 0.16 -0.18 0.15 0.02 0.00 0.00 177.57 177.72 1xf9 h PHE 587 N 0.86 0.98 0.70 1.57 3.57 -0.93 -0.79 116.94 122.90 1xf9 h PHE 587 Ca 0.36 -0.24 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 1xf9 h PHE 587 Cb 0.30 -0.23 0.01 0.00 2.79 0.00 0.00 35.95 38.82 1xf9 h PHE 587 CO -0.00 1.01 -0.34 1.49 -2.23 0.00 0.00 178.31 178.24 1xf9 h GLU 588 N 0.67 -0.90 -0.10 1.11 4.81 -0.91 -2.25 114.58 117.01 1xf9 h GLU 588 Ca 0.10 0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1xf9 h GLU 588 Cb 0.74 0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.32 1xf9 h GLU 588 CO 0.06 -0.59 0.06 0.77 -0.73 0.00 0.00 179.01 178.58 1xf9 h SER 589 N -1.22 0.13 0.00 1.04 0.02 -1.05 -1.73 113.55 110.74 1xf9 h SER 589 Ca -0.10 -0.08 -0.15 0.00 -0.84 0.00 0.00 61.79 60.63 1xf9 h SER 589 Cb 0.73 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1xf9 h SER 589 CO 0.16 0.17 -0.95 0.00 -1.14 0.00 0.00 176.83 175.06 1xf9 h VAL 591 N -1.00 1.32 0.06 0.00 2.07 -1.55 -0.90 116.25 116.25 1xf9 h VAL 591 Ca -0.23 -2.33 -0.19 0.00 0.82 0.00 0.00 66.70 64.78 1xf9 h VAL 591 Cb 1.04 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 33.22 1xf9 h VAL 591 CO -0.14 0.71 -0.96 0.00 0.02 0.00 0.00 177.57 177.20 1xf9 n LYS 593 N -4.26 0.00 -0.26 0.00 5.02 -0.67 -3.41 118.16 114.58 1xf9 n LYS 593 Ca -0.22 0.21 0.05 0.00 -2.02 0.00 0.00 58.31 56.33 1xf9 n LYS 593 Cb 0.73 -0.66 0.16 0.00 -0.02 0.00 0.00 35.03 35.23 1xf9 n LYS 593 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1xf9 h LEU 594 N 0.00 -0.40 -3.10 -0.35 5.85 -1.24 0.02 115.31 116.08 1xf9 h LEU 594 Ca 0.00 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1xf9 h LEU 594 Cb 0.00 0.37 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1xf9 h LEU 594 CO 0.00 -0.20 0.00 0.23 -0.34 0.00 0.00 178.44 178.13 1xf9 n MET 595 N -5.37 4.19 -0.27 1.25 2.81 -0.34 -4.65 117.12 114.74 1xf9 n MET 595 Ca 0.14 -2.62 0.18 0.00 -1.81 0.00 0.00 57.70 53.60 1xf9 n MET 595 Cb 0.48 -2.12 0.48 0.00 -0.71 0.00 0.00 33.22 31.36 1xf9 n MET 595 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xf9 h ALA 596 N 3.70 2.13 -0.70 3.04 0.00 -1.00 -1.80 119.26 124.63 1xf9 h ALA 596 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xf9 h ALA 596 Cb 1.70 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1xf9 h ALA 596 CO 0.40 -0.44 0.00 0.09 0.00 0.00 0.00 179.25 179.30 1xf9 n ASN 597 N -4.55 4.25 -4.68 0.00 3.02 -1.26 -4.74 115.26 107.29 1xf9 n ASN 597 Ca 0.20 -2.18 -0.35 0.00 -0.03 0.00 0.00 54.58 52.22 1xf9 n ASN 597 Cb 0.69 -0.53 -0.09 0.00 -0.61 0.00 0.00 39.78 39.24 1xf9 n ASN 597 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1xf9 s LYS 598 N -1.36 3.09 -0.23 3.52 -0.14 -0.68 -4.06 119.74 119.89 1xf9 s LYS 598 Ca 0.50 -0.39 -0.29 0.00 -1.36 0.00 0.00 55.97 54.43 1xf9 s LYS 598 Cb 0.28 -2.84 -0.01 0.00 -1.68 0.00 0.00 37.83 33.58 1xf9 s LYS 598 CO 0.30 0.67 1.28 0.99 -0.76 0.00 0.00 175.35 177.82 1xf9 s THR 599 N -0.77 4.23 0.00 2.17 2.01 -1.26 -4.34 115.64 117.68 1xf9 s THR 599 Ca 0.12 1.44 0.01 0.00 0.31 0.00 0.00 61.69 63.57 1xf9 s THR 599 Cb -0.12 -4.08 -0.01 0.00 0.01 0.00 0.00 72.50 68.31 1xf9 s THR 599 CO 0.02 -0.29 -0.03 0.00 -0.69 0.00 0.00 174.62 173.63 1xf9 s ARG 600 N 3.81 0.25 -0.19 4.92 1.70 -0.91 -0.81 118.95 127.73 1xf9 s ARG 600 Ca 0.55 -0.19 -0.03 0.00 -0.47 0.00 0.00 55.73 55.59 1xf9 s ARG 600 Cb -0.19 -0.20 -0.01 0.00 -0.57 0.00 0.00 34.95 33.98 1xf9 s ARG 600 CO 0.18 0.05 -0.07 0.42 -1.08 0.00 0.00 175.30 174.81 1xf9 s ILE 601 N -0.27 3.31 -0.17 4.99 1.01 0.13 -0.96 121.20 129.24 1xf9 s ILE 601 Ca -0.01 -0.53 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 1xf9 s ILE 601 Cb -0.02 -2.47 -0.01 0.00 0.01 0.00 0.00 42.46 39.96 1xf9 s ILE 601 CO -0.00 0.46 -0.11 -0.22 0.00 0.00 0.00 174.94 175.06 1xf9 s LEU 602 N 1.12 2.68 -0.33 2.97 2.96 0.81 0.27 118.68 129.17 1xf9 s LEU 602 Ca 0.01 -0.40 -0.17 0.00 -0.22 0.00 0.00 54.13 53.36 1xf9 s LEU 602 Cb -0.15 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 1xf9 s LEU 602 CO -0.01 0.08 0.45 -0.69 -1.32 0.00 0.00 176.35 174.86 1xf9 s VAL 603 N 0.84 5.09 0.15 1.68 1.01 -0.05 0.77 120.40 129.88 1xf9 s VAL 603 Ca -0.04 0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.21 1xf9 s VAL 603 Cb -0.15 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1xf9 s VAL 603 CO 0.00 -0.12 0.11 0.28 0.00 0.00 0.00 175.10 175.37 1xf9 s THR 604 N 2.23 0.08 -0.07 3.92 -1.32 -0.25 -1.51 115.64 118.71 1xf9 s THR 604 Ca 0.16 -1.83 0.11 0.00 -1.21 0.00 0.00 61.69 58.91 1xf9 s THR 604 Cb -0.16 -2.07 0.17 0.00 -1.51 0.00 0.00 72.50 68.93 1xf9 s THR 604 CO 0.12 -0.38 1.06 -1.54 -2.21 0.00 0.00 174.62 171.67 1xf9 n SER 605 N -0.14 1.74 -4.69 8.08 3.41 -1.26 -4.27 113.62 116.49 1xf9 n SER 605 Ca -0.05 -2.56 -0.35 0.00 -0.26 0.00 0.00 58.87 55.65 1xf9 n SER 605 Cb 0.64 -0.28 -0.09 0.00 -0.26 0.00 0.00 64.21 64.22 1xf9 n SER 605 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1xf9 s LYS 606 N -1.84 3.44 0.19 4.33 1.02 -1.26 -4.83 119.74 120.79 1xf9 s LYS 606 Ca 0.18 -0.34 -0.02 0.00 0.02 0.00 0.00 55.97 55.81 1xf9 s LYS 606 Cb 0.16 -3.01 0.12 0.00 -0.52 0.00 0.00 37.83 34.58 1xf9 s LYS 606 CO 0.02 0.54 1.50 0.52 -0.92 0.00 0.00 175.35 177.01 1xf9 h MET 607 N 5.74 0.49 -0.90 1.68 2.86 -1.95 -3.06 114.93 119.79 1xf9 h MET 607 Ca -0.45 -0.33 0.06 0.00 -2.06 0.00 0.00 59.70 56.92 1xf9 h MET 607 Cb 1.19 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.84 1xf9 h MET 607 CO 0.61 0.94 0.59 1.49 1.06 0.00 0.00 176.91 181.59 1xf9 h GLU 608 N 0.37 0.99 -0.29 1.72 4.57 -1.99 -1.07 114.58 118.88 1xf9 h GLU 608 Ca -0.00 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 1xf9 h GLU 608 Cb 1.14 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 1xf9 h GLU 608 CO 0.11 0.66 0.02 0.45 -1.18 0.00 0.00 179.01 179.06 1xf9 h HIS 609 N 1.02 0.44 -0.33 0.92 3.86 -1.96 -1.00 115.15 118.11 1xf9 h HIS 609 Ca 0.39 -0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.45 1xf9 h HIS 609 Cb 0.20 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1xf9 h HIS 609 CO -0.00 0.43 -0.24 -0.07 0.86 0.00 0.00 177.93 178.91 1xf9 h LEU 610 N 0.42 0.77 -0.88 2.43 4.07 -1.29 -1.52 115.31 119.32 1xf9 h LEU 610 Ca 0.10 -0.44 0.04 0.00 0.08 0.00 0.00 57.88 57.66 1xf9 h LEU 610 Cb 0.25 -0.21 -0.05 0.00 1.08 0.00 0.00 40.66 41.72 1xf9 h LEU 610 CO 0.00 1.05 0.56 -0.09 -1.08 0.00 0.00 178.44 178.88 1xf9 h ARG 611 N 0.50 1.05 -0.01 1.13 2.43 -0.63 -2.33 114.38 116.53 1xf9 h ARG 611 Ca 0.06 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1xf9 h ARG 611 Cb 0.79 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1xf9 h ARG 611 CO 0.06 0.69 -0.17 1.63 -1.51 0.00 0.00 179.97 180.67 1xf9 n LYS 612 N -4.55 0.73 -2.03 0.20 4.76 -0.45 -4.90 118.16 111.92 1xf9 n LYS 612 Ca 0.11 -0.34 -0.30 0.00 -2.87 0.00 0.00 58.31 54.92 1xf9 n LYS 612 Cb 0.11 -1.49 0.02 0.00 -1.84 0.00 0.00 35.03 31.82 1xf9 n LYS 612 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xf9 s ALA 613 N -2.50 3.11 -0.02 7.82 0.00 -0.58 -4.99 121.76 124.60 1xf9 s ALA 613 Ca 0.26 -0.27 -0.08 0.00 0.00 0.00 0.00 51.96 51.88 1xf9 s ALA 613 Cb 0.20 -2.95 -0.30 0.00 0.00 0.00 0.00 23.12 20.07 1xf9 s ALA 613 CO 0.50 -0.76 0.77 -0.44 0.00 0.00 0.00 175.76 175.83 1xf9 h ASP 614 N -0.31 0.53 -4.69 0.00 3.32 -1.38 -3.44 116.42 110.45 1xf9 h ASP 614 Ca -0.45 -0.75 -0.22 0.00 0.02 0.00 0.00 57.03 55.63 1xf9 h ASP 614 Cb 1.21 -0.17 -0.16 0.00 0.22 0.00 0.00 39.33 40.44 1xf9 h ASP 614 CO 0.62 1.63 -0.70 -0.54 -1.72 0.00 0.00 179.24 178.54 1xf9 s LYS 615 N -2.60 0.77 -0.02 3.56 -0.14 -1.05 -4.64 119.74 115.63 1xf9 s LYS 615 Ca -0.12 -1.26 0.01 0.00 -1.36 0.00 0.00 55.97 53.24 1xf9 s LYS 615 Cb 0.06 -0.17 0.01 0.00 -1.68 0.00 0.00 37.83 36.05 1xf9 s LYS 615 CO 0.86 -0.02 -0.03 0.42 -0.76 0.00 0.00 175.35 175.81 1xf9 s ILE 616 N -3.41 0.34 -0.11 2.17 1.01 0.21 -1.78 121.20 119.64 1xf9 s ILE 616 Ca 0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 60.65 60.63 1xf9 s ILE 616 Cb 0.04 -0.34 0.02 0.00 0.01 0.00 0.00 42.46 42.19 1xf9 s ILE 616 CO -0.05 0.13 -0.08 -0.22 0.00 0.00 0.00 174.94 174.73 1xf9 s LEU 617 N 0.36 1.22 -0.25 2.97 2.96 -0.73 -0.85 118.68 124.36 1xf9 s LEU 617 Ca -0.04 -0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 53.53 1xf9 s LEU 617 Cb -0.07 -0.83 -0.00 0.00 0.50 0.00 0.00 46.19 45.79 1xf9 s LEU 617 CO -0.00 -0.10 0.00 -0.63 -1.32 0.00 0.00 176.35 174.30 1xf9 s ILE 618 N 1.60 3.60 0.02 6.68 1.01 0.21 -1.40 121.20 132.92 1xf9 s ILE 618 Ca 0.03 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 1xf9 s ILE 618 Cb -0.13 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 1xf9 s ILE 618 CO -0.07 0.28 0.15 -0.76 0.00 0.00 0.00 174.94 174.55 1xf9 s LEU 619 N 1.48 4.19 -0.18 2.97 1.43 0.20 -0.40 118.68 128.38 1xf9 s LEU 619 Ca 0.04 0.24 -0.08 0.00 -1.03 0.00 0.00 54.13 53.30 1xf9 s LEU 619 Cb -0.15 -2.59 0.07 0.00 0.03 0.00 0.00 46.19 43.54 1xf9 s LEU 619 CO -0.01 0.23 0.39 -2.28 0.23 0.00 0.00 176.35 174.92 1xf9 s HIS 620 N -1.34 -0.65 -1.58 0.29 2.46 -0.75 -1.67 115.29 112.04 1xf9 s HIS 620 Ca 0.28 1.34 -0.16 0.00 0.47 0.00 0.00 55.06 56.99 1xf9 s HIS 620 Cb -0.12 0.25 0.12 0.00 -0.13 0.00 0.00 32.58 32.70 1xf9 s HIS 620 CO 0.20 -0.40 0.81 0.94 -2.47 0.00 0.00 174.74 173.82 1xf9 n GLN 621 N 4.81 -3.97 -0.99 2.88 -0.06 -1.26 -0.67 117.38 118.11 1xf9 n GLN 621 Ca -0.16 0.46 0.00 0.00 -2.00 0.00 0.00 57.00 55.30 1xf9 n GLN 621 Cb 0.52 -5.25 0.00 0.00 -4.06 0.00 0.00 30.24 21.46 1xf9 n GLN 621 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1xf9 n GLY 622 N -1.45 0.27 3.51 1.69 0.00 -0.59 -4.93 105.19 103.70 1xf9 n GLY 622 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1xf9 n GLY 622 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xf9 s SER 623 N -2.01 3.73 -0.68 1.61 0.15 0.16 -0.23 113.70 116.43 1xf9 s SER 623 Ca 0.00 -1.05 -0.24 0.00 0.70 0.00 0.00 55.95 55.36 1xf9 s SER 623 Cb 0.00 -0.36 0.06 0.00 -1.71 0.00 0.00 66.02 64.00 1xf9 s SER 623 CO 0.00 -0.05 1.06 -0.55 1.20 0.00 0.00 173.24 174.90 1xf9 s SER 624 N -3.56 6.17 0.28 5.45 0.15 -1.26 -1.81 113.70 119.12 1xf9 s SER 624 Ca 0.31 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1xf9 s SER 624 Cb -0.03 -2.46 0.42 0.00 -1.71 0.00 0.00 66.02 62.24 1xf9 s SER 624 CO 0.16 -1.56 1.80 0.22 1.20 0.00 0.00 173.24 175.06 1xf9 h TYR 625 N 9.70 0.74 -1.81 3.44 3.20 -1.04 -3.46 116.97 127.75 1xf9 h TYR 625 Ca -0.28 -0.09 0.01 0.00 3.14 0.00 0.00 58.73 61.50 1xf9 h TYR 625 Cb 1.06 -0.21 -0.21 0.00 1.54 0.00 0.00 36.73 38.92 1xf9 h TYR 625 CO 1.02 0.70 0.37 0.12 -1.64 0.00 0.00 178.16 178.73 1xf9 s PHE 626 N -4.97 -0.51 -0.15 -3.82 2.19 -1.13 -4.97 117.98 104.61 1xf9 s PHE 626 Ca -0.09 0.86 -0.06 0.00 0.33 0.00 0.00 56.93 57.98 1xf9 s PHE 626 Cb 0.15 0.43 0.07 0.00 -1.31 0.00 0.00 43.02 42.37 1xf9 s PHE 626 CO 0.80 -0.48 0.32 -0.47 1.83 0.00 0.00 175.22 177.21 1xf9 s TYR 627 N -1.23 -0.56 -3.13 10.12 5.04 -1.25 -0.62 117.35 125.73 1xf9 s TYR 627 Ca -0.06 1.17 0.00 0.00 -2.44 0.00 0.00 57.07 55.74 1xf9 s TYR 627 Cb -0.00 0.09 0.00 0.00 0.35 0.00 0.00 41.96 42.40 1xf9 s TYR 627 CO 0.05 -0.39 0.00 0.41 -1.34 0.00 0.00 175.55 174.28 1xf9 n GLY 628 N 5.30 -0.57 3.98 8.97 0.00 -0.03 -4.96 105.19 117.88 1xf9 n GLY 628 Ca -0.08 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 45.00 1xf9 n GLY 628 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xf9 s THR 629 N -3.54 4.64 0.27 2.61 -4.23 -1.26 0.64 115.64 114.77 1xf9 s THR 629 Ca 0.00 -0.97 -0.01 0.00 -1.18 0.00 0.00 61.69 59.53 1xf9 s THR 629 Cb 0.00 -3.63 0.26 0.00 1.34 0.00 0.00 72.50 70.48 1xf9 s THR 629 CO 0.00 -0.25 1.83 0.15 -0.54 0.00 0.00 174.62 175.82 1xf9 h PHE 630 N 1.01 1.07 -0.12 3.99 3.57 -1.85 -0.69 116.94 123.92 1xf9 h PHE 630 Ca -0.49 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1xf9 h PHE 630 Cb 1.24 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1xf9 h PHE 630 CO 0.44 0.44 0.08 1.03 -2.23 0.00 0.00 178.31 178.07 1xf9 h SER 631 N 0.96 0.14 -0.49 0.41 0.87 -1.95 -2.00 113.55 111.49 1xf9 h SER 631 Ca 0.46 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 61.02 1xf9 h SER 631 Cb 0.42 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.32 1xf9 h SER 631 CO -0.25 0.12 0.32 -0.33 -0.53 0.00 0.00 176.83 176.16 1xf9 h GLU 632 N 0.15 0.58 0.28 2.24 5.08 -1.70 -2.53 114.58 118.68 1xf9 h GLU 632 Ca 0.04 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1xf9 h GLU 632 Cb 0.00 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 1xf9 h GLU 632 CO -0.01 0.38 -0.16 1.25 -1.00 0.00 0.00 179.01 179.47 1xf9 h LEU 633 N 0.59 -0.41 -1.31 1.33 5.85 -0.47 0.35 115.31 121.25 1xf9 h LEU 633 Ca 0.19 0.02 0.10 0.00 0.84 0.00 0.00 57.88 59.03 1xf9 h LEU 633 Cb 0.03 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 1xf9 h LEU 633 CO -0.05 -0.27 0.54 1.56 -0.34 0.00 0.00 178.44 179.88 1xf9 h GLN 634 N -0.43 0.73 0.00 1.25 4.20 -0.97 0.20 115.11 120.10 1xf9 h GLN 634 Ca -0.03 -0.04 -0.28 0.00 0.06 0.00 0.00 58.65 58.35 1xf9 h GLN 634 Cb 0.35 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 27.91 1xf9 h GLN 634 CO 0.04 0.49 -2.16 -1.13 -0.67 0.00 0.00 178.83 175.39 1xf9 n SER 635 N -4.52 0.18 0.03 1.46 3.41 -1.11 -3.55 113.62 109.52 1xf9 n SER 635 Ca 0.14 0.08 0.12 0.00 -0.26 0.00 0.00 58.87 58.95 1xf9 n SER 635 Cb 0.34 0.97 0.26 0.00 -0.26 0.00 0.00 64.21 65.51 1xf9 n SER 635 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xf9 n LEU 636 N -2.71 0.53 -3.03 1.04 4.77 0.12 -4.31 117.00 113.41 1xf9 n LEU 636 Ca -0.24 0.15 -0.15 0.00 -0.03 0.00 0.00 56.01 55.73 1xf9 n LEU 636 Cb 1.02 -0.25 -0.00 0.00 -2.33 0.00 0.00 43.42 41.86 1xf9 n LEU 636 CO 0.44 0.04 -0.12 0.54 -1.33 0.00 0.00 177.39 176.96 1xf9 n ARG 637 N -1.75 1.01 0.27 3.23 5.12 0.69 -4.96 116.66 120.27 1xf9 n ARG 637 Ca 0.05 -3.12 0.12 0.00 -1.93 0.00 0.00 57.85 52.96 1xf9 n ARG 637 Cb 0.38 -1.50 0.74 0.00 -1.16 0.00 0.00 32.46 30.92 1xf9 n ARG 637 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1xf9 h PRO 638 N 2.97 0.00 0.40 5.56 0.13 -1.69 0.15 132.00 139.51 1xf9 h PRO 638 Ca 0.03 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.14 1xf9 h PRO 638 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1xf9 h PRO 638 CO 0.43 0.07 -0.19 -0.44 -0.23 0.00 0.00 178.00 177.65 1xf9 h ASP 639 N 0.00 -0.45 0.01 1.44 3.32 -1.93 -0.57 116.42 118.24 1xf9 h ASP 639 Ca -0.00 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.10 1xf9 h ASP 639 Cb 0.17 0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.79 1xf9 h ASP 639 CO 0.01 -0.19 -0.33 0.15 -1.72 0.00 0.00 179.24 177.16 1xf9 h PHE 640 N -0.80 -0.90 -0.25 4.55 3.04 -1.90 -2.46 116.94 118.22 1xf9 h PHE 640 Ca -0.05 0.03 0.06 0.00 3.98 0.00 0.00 57.97 61.98 1xf9 h PHE 640 Cb 0.41 0.40 -0.08 0.00 2.56 0.00 0.00 35.95 39.24 1xf9 h PHE 640 CO 0.05 -0.42 -0.38 0.77 -2.02 0.00 0.00 178.31 176.31 1xf9 h SER 641 N -0.49 -1.22 -0.21 0.41 0.02 -1.05 -2.42 113.55 108.58 1xf9 h SER 641 Ca 0.06 0.18 0.05 0.00 -0.84 0.00 0.00 61.79 61.24 1xf9 h SER 641 Cb 0.57 0.53 -0.07 0.00 0.14 0.00 0.00 62.40 63.56 1xf9 h SER 641 CO -0.26 -0.38 -0.46 -1.28 -1.14 0.00 0.00 176.83 173.31 1xf9 h SER 642 N -0.38 -1.46 -0.36 3.07 0.87 -0.87 0.20 113.55 114.63 1xf9 h SER 642 Ca 0.12 0.20 0.07 0.00 -1.23 0.00 0.00 61.79 60.94 1xf9 h SER 642 Cb 0.58 0.60 -0.09 0.00 -0.44 0.00 0.00 62.40 63.05 1xf9 h SER 642 CO -0.46 -0.42 -0.34 0.50 -0.53 0.00 0.00 176.83 175.57 1xf9 h LYS 643 N -0.47 -0.28 -0.39 2.24 1.63 -1.07 0.91 116.57 119.14 1xf9 h LYS 643 Ca 0.08 0.02 -0.15 0.00 -0.85 0.00 0.00 60.65 59.75 1xf9 h LYS 643 Cb 0.63 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 1xf9 h LYS 643 CO -0.46 -0.19 -0.36 -0.07 -3.45 0.00 0.00 179.45 174.93 1xf9 h LEU 644 N -0.29 0.99 -1.26 5.20 4.07 -1.11 -2.95 115.31 119.96 1xf9 h LEU 644 Ca 0.15 -0.46 -0.02 0.00 0.08 0.00 0.00 57.88 57.64 1xf9 h LEU 644 Cb 0.55 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 42.01 1xf9 h LEU 644 CO -0.52 1.24 -0.07 0.24 -1.08 0.00 0.00 178.44 178.26 1xf9 h MET 645 N 0.76 0.00 0.00 1.13 2.86 -0.74 -3.07 114.93 115.87 1xf9 h MET 645 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1xf9 h MET 645 Cb 0.95 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.61 1xf9 h MET 645 CO 0.09 0.07 0.00 0.78 1.06 0.00 0.00 176.91 178.91 1xf9 h GLY 646 N 2.17 0.00 -2.04 8.32 0.00 -0.63 -3.43 103.07 107.46 1xf9 h GLY 646 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1xf9 h GLY 646 CO 0.01 0.00 0.17 -0.19 0.00 0.00 0.00 176.54 176.53 1xf9 s TYR 647 N -3.54 3.54 -0.13 5.60 1.51 -1.16 -5.01 117.35 118.16 1xf9 s TYR 647 Ca -0.01 0.99 -0.25 0.00 -1.01 0.00 0.00 57.07 56.79 1xf9 s TYR 647 Cb 0.07 -2.43 -0.26 0.00 -0.11 0.00 0.00 41.96 39.23 1xf9 s TYR 647 CO 0.26 -0.30 0.68 -0.44 -1.11 0.00 0.00 175.55 174.65 1xf9 h ASP 648 N 0.48 0.15 -1.28 2.29 3.32 -1.91 -3.41 116.42 116.06 1xf9 h ASP 648 Ca -0.47 -0.89 -0.44 0.00 0.02 0.00 0.00 57.03 55.25 1xf9 h ASP 648 Cb 1.20 -0.05 -0.41 0.00 0.22 0.00 0.00 39.33 40.29 1xf9 h ASP 648 CO 0.62 1.24 -1.06 0.35 -1.72 0.00 0.00 179.24 178.67 1xf9 n THR 649 N -4.39 1.31 -0.20 0.35 -2.24 -1.26 -4.91 114.28 102.93 1xf9 n THR 649 Ca -0.16 -3.78 0.00 0.00 -2.27 0.00 0.00 64.05 57.84 1xf9 n THR 649 Cb 0.64 0.01 0.09 0.00 -2.10 0.00 0.00 70.33 68.96 1xf9 n THR 649 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1xf9 h PHE 650 N 2.89 -0.11 0.00 4.78 3.57 -1.90 -0.66 116.94 125.50 1xf9 h PHE 650 Ca 0.03 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1xf9 h PHE 650 Cb 1.07 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1xf9 h PHE 650 CO 0.59 -0.19 0.12 -0.25 -2.23 0.00 0.00 178.31 176.35 1xf9 n ASP 651 N -5.32 0.00 -0.70 0.41 9.92 -1.26 -0.47 116.55 119.14 1xf9 n ASP 651 Ca 0.08 0.37 0.07 0.00 -0.53 0.00 0.00 54.79 54.79 1xf9 n ASP 651 Cb 0.35 -0.37 0.12 0.00 -0.64 0.00 0.00 41.12 40.58 1xf9 n ASP 651 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xf9 n GLN 652 N -1.37 1.75 -1.34 -1.24 6.02 -0.26 -4.95 117.38 116.00 1xf9 n GLN 652 Ca 0.00 -1.72 -0.29 0.00 -0.01 0.00 0.00 57.00 54.98 1xf9 n GLN 652 Cb 0.12 -1.32 0.15 0.00 1.02 0.00 0.00 30.24 30.22 1xf9 n GLN 652 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1xf9 s PHE 653 N -1.15 2.32 0.68 1.08 0.08 0.38 -4.99 117.98 116.38 1xf9 s PHE 653 Ca 0.23 0.96 -0.13 0.00 0.12 0.00 0.00 56.93 58.11 1xf9 s PHE 653 Cb 0.14 -3.30 0.01 0.00 -0.57 0.00 0.00 43.02 39.30 1xf9 s PHE 653 CO 0.20 -2.60 1.08 0.95 -0.10 0.00 0.00 175.22 174.75 1xf9 s THR 654 N -3.10 3.59 0.26 0.64 -4.23 -1.26 -4.81 115.64 106.74 1xf9 s THR 654 Ca 0.64 0.63 -0.01 0.00 -1.18 0.00 0.00 61.69 61.77 1xf9 s THR 654 Cb -0.17 -3.20 0.25 0.00 1.34 0.00 0.00 72.50 70.73 1xf9 s THR 654 CO 0.56 -0.56 1.71 -0.08 -0.54 0.00 0.00 174.62 175.70 1xf9 h GLU 655 N -0.33 0.40 -0.20 3.99 4.22 -1.91 -0.58 114.58 120.17 1xf9 h GLU 655 Ca -0.45 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 58.96 1xf9 h GLU 655 Cb 1.23 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1xf9 h GLU 655 CO 0.55 0.26 0.10 1.49 -2.18 0.00 0.00 179.01 179.23 1xf9 h GLU 656 N 0.41 0.28 -0.41 1.92 4.81 -1.91 -1.68 114.58 118.01 1xf9 h GLU 656 Ca 0.47 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.60 1xf9 h GLU 656 Cb 0.80 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 1xf9 h GLU 656 CO -0.47 0.29 -0.00 -0.09 -0.73 0.00 0.00 179.01 178.01 1xf9 h ARG 657 N 0.20 0.67 -0.33 1.92 9.65 -1.64 -0.62 114.38 124.23 1xf9 h ARG 657 Ca 0.07 -0.16 -0.08 0.00 -1.10 0.00 0.00 59.98 58.70 1xf9 h ARG 657 Cb 0.10 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 1xf9 h ARG 657 CO -0.01 0.69 -0.11 0.00 2.80 0.00 0.00 179.97 183.34 1xf9 h ARG 658 N 0.63 0.66 -0.31 0.20 3.08 -0.98 -0.23 114.38 117.43 1xf9 h ARG 658 Ca 0.13 -0.27 -0.12 0.00 0.07 0.00 0.00 59.98 59.79 1xf9 h ARG 658 Cb 0.40 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1xf9 h ARG 658 CO 0.02 0.85 -0.29 0.77 -1.07 0.00 0.00 179.97 180.24 1xf9 h SER 659 N 0.44 0.67 0.82 7.04 0.02 -1.19 -0.76 113.55 120.60 1xf9 h SER 659 Ca 0.08 -0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 60.73 1xf9 h SER 659 Cb 0.62 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1xf9 h SER 659 CO 0.04 0.93 -0.45 -1.28 -1.14 0.00 0.00 176.83 174.93 1xf9 h SER 660 N 0.56 -1.11 -0.73 3.07 0.87 -0.88 0.66 113.55 115.98 1xf9 h SER 660 Ca 0.07 0.05 0.11 0.00 -1.23 0.00 0.00 61.79 60.79 1xf9 h SER 660 Cb 0.78 0.31 -0.08 0.00 -0.44 0.00 0.00 62.40 62.97 1xf9 h SER 660 CO 0.06 -0.73 0.34 0.40 -0.53 0.00 0.00 176.83 176.38 1xf9 h ILE 661 N -1.18 0.77 -0.68 2.23 2.04 -0.99 -1.01 117.51 118.71 1xf9 h ILE 661 Ca -0.11 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1xf9 h ILE 661 Cb 0.92 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1xf9 h ILE 661 CO 0.15 0.10 0.40 -0.07 0.00 0.00 0.00 178.15 178.73 1xf9 h LEU 662 N 0.55 0.82 0.16 1.44 3.38 -0.97 -0.74 115.31 119.93 1xf9 h LEU 662 Ca 0.38 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 1xf9 h LEU 662 Cb 0.48 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1xf9 h LEU 662 CO -0.32 0.64 -0.08 0.74 0.09 0.00 0.00 178.44 179.52 1xf9 h THR 663 N 0.92 0.88 -0.24 0.22 2.02 0.35 -0.06 112.91 117.00 1xf9 h THR 663 Ca 0.24 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 1xf9 h THR 663 Cb -0.02 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1xf9 h THR 663 CO -0.04 0.03 0.15 -0.33 0.37 0.00 0.00 175.52 175.69 1xf9 h GLU 664 N -0.27 0.32 -0.88 6.66 5.08 -1.15 -0.25 114.58 124.09 1xf9 h GLU 664 Ca -0.02 -0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.42 1xf9 h GLU 664 Cb 0.22 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 1xf9 h GLU 664 CO 0.04 0.25 0.57 1.15 -1.00 0.00 0.00 179.01 180.01 1xf9 h THR 665 N 0.30 0.94 0.24 1.13 2.02 -0.95 0.75 112.91 117.33 1xf9 h THR 665 Ca 0.09 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1xf9 h THR 665 Cb 0.01 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.46 1xf9 h THR 665 CO -0.02 0.15 -0.11 -0.07 0.37 0.00 0.00 175.52 175.84 1xf9 h LEU 666 N 0.83 -0.27 -0.88 2.58 3.38 -0.40 -2.24 115.31 118.31 1xf9 h LEU 666 Ca 0.42 -0.26 0.21 0.00 0.09 0.00 0.00 57.88 58.34 1xf9 h LEU 666 Cb 0.47 0.07 -0.12 0.00 0.09 0.00 0.00 40.66 41.17 1xf9 h LEU 666 CO -0.18 0.21 0.37 0.03 0.09 0.00 0.00 178.44 178.97 1xf9 h ARG 667 N -0.86 0.38 0.00 1.13 3.08 -0.70 -2.82 114.38 114.59 1xf9 h ARG 667 Ca -0.03 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1xf9 h ARG 667 Cb 0.51 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1xf9 h ARG 667 CO 0.05 0.25 0.00 -2.13 -1.07 0.00 0.00 179.97 177.07 1xf9 n ARG 668 N -5.05 0.00 -1.26 0.04 0.63 0.23 -3.76 116.66 107.48 1xf9 n ARG 668 Ca 0.21 0.48 -0.36 0.00 -0.92 0.00 0.00 57.85 57.26 1xf9 n ARG 668 Cb 0.63 -1.45 -0.02 0.00 0.45 0.00 0.00 32.46 32.07 1xf9 n ARG 668 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1xf9 n PHE 669 N -1.90 2.37 -0.31 -0.14 3.72 -0.85 -5.10 117.46 115.25 1xf9 n PHE 669 Ca 0.00 -2.64 0.00 0.00 -0.05 0.00 0.00 57.45 54.76 1xf9 n PHE 669 Cb 0.00 -2.22 0.00 0.00 -0.94 0.00 0.00 39.48 36.32 1xf9 n PHE 669 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58