#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xf9 n GLY 391 N 0.00 0.13 3.16 1.09 0.00 -1.26 -4.40 105.19 103.91 1xf9 n GLY 391 Ca 0.00 -1.94 -0.11 0.00 0.00 0.00 0.00 46.02 43.97 1xf9 n GLY 391 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xf9 s ILE 392 N -2.82 -0.03 0.05 -0.61 2.07 0.64 -4.35 121.20 116.15 1xf9 s ILE 392 Ca 0.58 0.12 0.07 0.00 -1.41 0.00 0.00 60.65 60.01 1xf9 s ILE 392 Cb -0.03 -0.50 -0.03 0.00 0.13 0.00 0.00 42.46 42.04 1xf9 s ILE 392 CO 0.39 0.05 -0.18 -0.63 -1.91 0.00 0.00 174.94 172.66 1xf9 s ILE 393 N 1.32 1.48 -0.09 2.00 1.01 0.75 -0.22 121.20 127.45 1xf9 s ILE 393 Ca -0.09 -1.18 -0.03 0.00 0.00 0.00 0.00 60.65 59.35 1xf9 s ILE 393 Cb -0.09 -1.31 0.05 0.00 0.01 0.00 0.00 42.46 41.11 1xf9 s ILE 393 CO -0.11 0.10 0.12 -0.04 0.00 0.00 0.00 174.94 175.02 1xf9 s MET 394 N -1.26 0.01 -0.19 2.79 -1.94 0.35 -0.21 119.30 118.86 1xf9 s MET 394 Ca 0.05 0.37 -0.01 0.00 -1.71 0.00 0.00 55.69 54.40 1xf9 s MET 394 Cb -0.09 -0.67 0.01 0.00 2.01 0.00 0.00 34.83 36.09 1xf9 s MET 394 CO 0.02 -0.40 -0.14 -1.21 -0.01 0.00 0.00 175.02 173.28 1xf9 s GLU 395 N 2.23 3.17 -0.68 2.03 2.02 0.79 -1.40 118.70 126.86 1xf9 s GLU 395 Ca 0.04 -0.74 -0.04 0.00 0.02 0.00 0.00 54.97 54.24 1xf9 s GLU 395 Cb -0.13 -2.73 0.01 0.00 0.10 0.00 0.00 34.13 31.38 1xf9 s GLU 395 CO -0.06 -0.16 0.47 -1.71 0.02 0.00 0.00 175.26 173.82 1xf9 n ASN 396 N 4.56 -3.56 -4.87 -0.19 2.85 -1.18 -0.90 115.26 111.96 1xf9 n ASN 396 Ca -0.20 -0.79 -0.37 0.00 -0.11 0.00 0.00 54.58 53.11 1xf9 n ASN 396 Cb 0.51 -1.21 -0.06 0.00 1.24 0.00 0.00 39.78 40.26 1xf9 n ASN 396 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1xf9 s VAL 397 N -2.94 5.42 -0.04 3.44 1.01 -0.73 -2.49 120.40 124.07 1xf9 s VAL 397 Ca 0.06 0.31 -0.02 0.00 0.00 0.00 0.00 61.98 62.34 1xf9 s VAL 397 Cb -0.03 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.92 1xf9 s VAL 397 CO 0.70 0.60 0.09 -0.89 0.00 0.00 0.00 175.10 175.60 1xf9 s THR 398 N -1.05 -0.06 -0.05 3.92 2.01 -0.96 -0.35 115.64 119.09 1xf9 s THR 398 Ca 0.17 0.20 0.03 0.00 0.31 0.00 0.00 61.69 62.41 1xf9 s THR 398 Cb -0.13 -0.17 0.00 0.00 0.01 0.00 0.00 72.50 72.22 1xf9 s THR 398 CO 0.06 0.08 -0.15 0.00 -0.69 0.00 0.00 174.62 173.92 1xf9 s ALA 399 N 1.16 1.43 0.23 7.40 0.00 -0.09 -0.60 121.76 131.29 1xf9 s ALA 399 Ca -0.09 -0.59 0.06 0.00 0.00 0.00 0.00 51.96 51.34 1xf9 s ALA 399 Cb -0.12 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1xf9 s ALA 399 CO -0.05 0.22 0.20 -0.06 0.00 0.00 0.00 175.76 176.07 1xf9 s PHE 400 N 0.27 3.16 0.31 0.00 0.08 -1.26 0.34 117.98 120.87 1xf9 s PHE 400 Ca -0.08 -0.07 -0.29 0.00 0.12 0.00 0.00 56.93 56.60 1xf9 s PHE 400 Cb -0.13 -1.45 -0.11 0.00 -0.57 0.00 0.00 43.02 40.76 1xf9 s PHE 400 CO 0.03 0.51 1.44 -1.58 -0.10 0.00 0.00 175.22 175.52 1xf9 s TRP 401 N -2.01 2.89 0.11 0.36 0.52 -0.83 -4.76 118.94 115.22 1xf9 s TRP 401 Ca 0.32 1.12 0.05 0.00 0.02 0.00 0.00 56.10 57.62 1xf9 s TRP 401 Cb -0.09 -3.87 -0.04 0.00 -1.15 0.00 0.00 33.47 28.33 1xf9 s TRP 401 CO 0.25 -2.67 -0.13 -1.21 0.02 0.00 0.00 176.95 173.21 1xf9 s GLU 402 N -1.15 0.95 0.56 4.98 0.41 -1.26 -4.60 118.70 118.58 1xf9 s GLU 402 Ca 0.56 -1.18 -0.21 0.00 -0.41 0.00 0.00 54.97 53.73 1xf9 s GLU 402 Cb -0.43 -0.80 -0.05 0.00 -1.78 0.00 0.00 34.13 31.06 1xf9 s GLU 402 CO 0.51 0.15 1.17 0.39 -0.49 0.00 0.00 175.26 176.99 1xf9 n GLU 403 N 0.65 1.33 0.00 1.61 1.02 -1.26 -2.63 120.64 121.36 1xf9 n GLU 403 Ca -0.16 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 1xf9 n GLU 403 Cb 0.57 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 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 1.01 1.58 0.38 0.62 0.00 -1.26 -4.78 105.19 102.74 1xf9 n GLY 404 Ca 0.12 -0.21 0.23 0.00 0.00 0.00 0.00 46.02 46.15 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 0.82 -0.59 1.61 3.57 -1.86 0.27 116.94 120.76 1xf9 h PHE 405 Ca 0.00 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 1xf9 h PHE 405 Cb 0.00 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 1xf9 h PHE 405 CO 0.00 -0.01 0.01 0.78 -2.23 0.00 0.00 178.31 176.86 1xf9 h GLY 406 N 0.41 1.11 0.93 2.40 0.00 -1.87 -0.40 103.07 105.65 1xf9 h GLY 406 Ca 0.66 -0.79 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 1xf9 h GLY 406 CO -0.43 0.73 0.06 0.83 0.00 0.00 0.00 176.54 177.73 1xf9 h GLU 407 N 0.94 0.17 -0.58 4.80 4.39 -0.89 -2.55 114.58 120.86 1xf9 h GLU 407 Ca 0.17 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.88 1xf9 h GLU 407 Cb 0.53 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 1xf9 h GLU 407 CO 0.03 0.20 0.35 1.25 -1.16 0.00 0.00 179.01 179.68 1xf9 h LEU 408 N 0.09 0.56 -1.26 1.33 5.85 -1.19 -2.42 115.31 118.27 1xf9 h LEU 408 Ca 0.04 0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.92 1xf9 h LEU 408 Cb 0.08 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 40.92 1xf9 h LEU 408 CO -0.01 0.39 0.59 -0.07 -0.34 0.00 0.00 178.44 179.00 1xf9 h LEU 409 N 0.69 0.66 -0.69 2.25 3.38 -0.67 -1.49 115.31 119.43 1xf9 h LEU 409 Ca 0.24 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 58.12 1xf9 h LEU 409 Cb 0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1xf9 h LEU 409 CO -0.11 0.31 -0.39 -0.33 0.09 0.00 0.00 178.44 178.01 1xf9 h GLU 410 N 0.68 0.56 0.00 1.13 5.08 -1.12 -3.52 114.58 117.40 1xf9 h GLU 410 Ca 0.47 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1xf9 h GLU 410 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1xf9 h GLU 410 CO -0.23 0.86 0.00 1.63 -1.00 0.00 0.00 179.01 180.27 1xf9 n LYS 411 N -4.04 0.74 0.00 2.33 5.02 -0.57 -5.12 118.16 116.53 1xf9 n LYS 411 Ca -0.02 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1xf9 n LYS 411 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1xf9 n LYS 411 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1xf9 n SER 429 N -1.07 0.00 0.07 4.39 2.88 -1.26 -4.85 113.62 113.78 1xf9 n SER 429 Ca 0.19 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.65 1xf9 n SER 429 Cb 0.12 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.49 1xf9 n SER 429 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 1xf9 h PHE 430 N 0.00 0.09 -0.39 0.66 0.04 -2.00 -3.05 116.94 112.29 1xf9 h PHE 430 Ca 0.00 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1xf9 h PHE 430 Cb 0.00 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 1xf9 h PHE 430 CO 0.00 1.01 0.25 0.77 -0.60 0.00 0.00 178.31 179.74 1xf9 h SER 431 N 0.02 0.45 -0.64 2.17 0.02 -1.99 -1.67 113.55 111.91 1xf9 h SER 431 Ca -0.03 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 1xf9 h SER 431 Cb 1.73 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 64.13 1xf9 h SER 431 CO 0.14 0.35 0.31 0.45 -1.14 0.00 0.00 176.83 176.94 1xf9 h HIS 432 N 0.52 0.92 -0.29 3.45 3.86 -1.99 0.13 115.15 121.75 1xf9 h HIS 432 Ca 0.14 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1xf9 h HIS 432 Cb -0.03 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.14 1xf9 h HIS 432 CO -0.04 0.69 0.01 -0.07 0.86 0.00 0.00 177.93 179.38 1xf9 h LEU 433 N 0.89 0.40 -0.00 2.43 3.38 -1.39 -0.14 115.31 120.86 1xf9 h LEU 433 Ca 0.22 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1xf9 h LEU 433 Cb 0.11 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1xf9 h LEU 433 CO -0.03 0.46 -0.16 0.00 0.09 0.00 0.00 178.44 178.80 1xf9 h LEU 435 N -0.58 0.97 -0.18 0.00 4.07 -0.57 -1.17 115.31 117.84 1xf9 h LEU 435 Ca -0.02 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1xf9 h LEU 435 Cb 0.91 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.44 1xf9 h LEU 435 CO 0.03 0.65 0.00 0.52 -1.08 0.00 0.00 178.44 178.56 1xf9 n VAL 436 N -4.53 0.59 -3.25 1.22 0.31 -0.08 -4.91 118.33 107.68 1xf9 n VAL 436 Ca 0.12 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.29 1xf9 n VAL 436 Cb 0.12 -0.78 0.06 0.00 -0.91 0.00 0.00 33.84 32.32 1xf9 n VAL 436 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xf9 n GLY 437 N 0.80 -0.11 3.76 2.92 0.00 -0.44 -4.97 105.19 107.15 1xf9 n GLY 437 Ca 0.05 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.30 7.03 -0.09 1.61 2.47 -0.20 -4.88 114.94 117.58 1xf9 s ASN 438 Ca 0.37 2.38 -0.25 0.00 0.42 0.00 0.00 52.86 55.79 1xf9 s ASN 438 Cb -0.16 -2.63 -0.03 0.00 -1.45 0.00 0.00 41.25 36.98 1xf9 s ASN 438 CO 0.52 -0.32 0.79 -2.16 -3.72 0.00 0.00 177.10 172.20 1xf9 s PRO 439 N -1.68 4.41 0.07 0.43 0.04 -1.26 -1.95 135.00 135.04 1xf9 s PRO 439 Ca 0.48 1.01 0.08 0.00 0.04 0.00 0.00 61.00 62.60 1xf9 s PRO 439 Cb -0.34 -3.49 -0.22 0.00 0.04 0.00 0.00 34.50 30.49 1xf9 s PRO 439 CO 0.43 -0.09 1.08 -0.24 0.04 0.00 0.00 177.00 178.22 1xf9 h VAL 440 N 4.92 1.44 -3.36 -0.36 3.04 -0.41 -3.45 116.25 118.06 1xf9 h VAL 440 Ca -0.37 -3.18 -0.23 0.00 -1.01 0.00 0.00 66.70 61.91 1xf9 h VAL 440 Cb 1.18 2.73 -0.30 0.00 -2.01 0.00 0.00 31.29 32.88 1xf9 h VAL 440 CO 0.78 0.83 -0.61 -0.76 -1.01 0.00 0.00 177.57 176.80 1xf9 s LEU 441 N -6.56 1.07 -0.04 3.16 1.43 -1.05 -4.37 118.68 112.32 1xf9 s LEU 441 Ca -0.01 0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 1xf9 s LEU 441 Cb 0.09 0.32 0.01 0.00 0.03 0.00 0.00 46.19 46.64 1xf9 s LEU 441 CO 0.83 -0.11 -0.11 -0.75 0.23 0.00 0.00 176.35 176.43 1xf9 s LYS 442 N 0.76 1.36 -1.07 1.70 2.20 0.00 -0.91 119.74 123.78 1xf9 s LYS 442 Ca -0.06 -0.39 -0.21 0.00 -0.36 0.00 0.00 55.97 54.95 1xf9 s LYS 442 Cb -0.08 -1.20 0.02 0.00 -1.51 0.00 0.00 37.83 35.07 1xf9 s LYS 442 CO -0.03 0.10 0.68 0.09 -0.36 0.00 0.00 175.35 175.83 1xf9 n ASN 443 N 3.48 -4.72 -4.73 1.43 3.02 -0.03 -4.30 115.26 109.41 1xf9 n ASN 443 Ca -0.20 -1.11 -0.37 0.00 -0.03 0.00 0.00 54.58 52.88 1xf9 n ASN 443 Cb 0.53 -2.13 -0.07 0.00 -0.61 0.00 0.00 39.78 37.50 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 -3.34 5.29 -0.04 2.41 -1.09 0.52 -4.64 121.20 120.32 1xf9 s ILE 444 Ca 0.33 0.59 0.02 0.00 -2.23 0.00 0.00 60.65 59.37 1xf9 s ILE 444 Cb -0.17 -3.65 0.01 0.00 -1.58 0.00 0.00 42.46 37.07 1xf9 s ILE 444 CO 0.92 0.38 -0.07 0.20 -1.23 0.00 0.00 174.94 175.14 1xf9 s ASN 445 N 0.49 1.12 -0.20 3.58 0.01 -1.26 -1.78 114.94 116.90 1xf9 s ASN 445 Ca 0.17 -0.17 -0.28 0.00 -0.71 0.00 0.00 52.86 51.88 1xf9 s ASN 445 Cb -0.13 -0.41 0.11 0.00 0.41 0.00 0.00 41.25 41.23 1xf9 s ASN 445 CO 0.04 0.02 0.93 -1.48 -1.51 0.00 0.00 177.10 175.10 1xf9 s LEU 446 N 0.50 -0.49 -0.31 0.60 0.05 -0.49 -4.98 118.68 113.56 1xf9 s LEU 446 Ca -0.08 0.75 -0.02 0.00 0.05 0.00 0.00 54.13 54.84 1xf9 s LEU 446 Cb -0.11 2.04 0.10 0.00 -2.05 0.00 0.00 46.19 46.17 1xf9 s LEU 446 CO 0.01 -0.30 0.12 0.21 -0.55 0.00 0.00 176.35 175.84 1xf9 s ASN 447 N -0.42 3.79 -0.25 1.48 2.47 -1.26 -0.49 114.94 120.25 1xf9 s ASN 447 Ca -0.01 -1.55 -0.08 0.00 0.42 0.00 0.00 52.86 51.64 1xf9 s ASN 447 Cb -0.03 -0.65 -0.03 0.00 -1.45 0.00 0.00 41.25 39.09 1xf9 s ASN 447 CO -0.00 -0.42 0.09 -0.63 -3.72 0.00 0.00 177.10 172.42 1xf9 s ILE 448 N 1.75 4.48 0.57 -5.21 -1.09 0.69 -4.99 121.20 117.39 1xf9 s ILE 448 Ca 0.10 -0.11 -0.15 0.00 -2.23 0.00 0.00 60.65 58.26 1xf9 s ILE 448 Cb -0.17 -3.10 -0.05 0.00 -1.58 0.00 0.00 42.46 37.55 1xf9 s ILE 448 CO -0.28 0.33 1.02 -1.61 -1.23 0.00 0.00 174.94 173.16 1xf9 s GLU 449 N 1.62 3.65 0.33 2.79 0.41 -1.26 -0.26 118.70 125.98 1xf9 s GLU 449 Ca 0.06 0.99 -0.28 0.00 -0.41 0.00 0.00 54.97 55.34 1xf9 s GLU 449 Cb -0.15 -2.09 -0.13 0.00 -1.78 0.00 0.00 34.13 29.98 1xf9 s GLU 449 CO 0.05 -0.53 1.14 1.63 -0.49 0.00 0.00 175.26 177.06 1xf9 n LYS 450 N -1.99 1.71 -0.48 1.61 5.02 -1.26 -1.51 118.16 121.26 1xf9 n LYS 450 Ca 0.07 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 1xf9 n LYS 450 Cb 0.54 -2.09 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 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 1.00 1.42 3.88 0.72 0.00 -1.22 -4.88 105.19 106.11 1xf9 n GLY 451 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.14 3.46 -0.14 1.61 2.02 -0.57 -4.34 118.70 120.61 1xf9 s GLU 452 Ca 0.00 0.58 0.01 0.00 0.02 0.00 0.00 54.97 55.58 1xf9 s GLU 452 Cb 0.00 -2.13 -0.00 0.00 0.10 0.00 0.00 34.13 32.09 1xf9 s GLU 452 CO 0.00 -0.58 -0.16 1.41 0.02 0.00 0.00 175.26 175.95 1xf9 s MET 453 N -5.12 3.22 -0.19 1.61 -2.45 -1.26 -1.26 119.30 113.85 1xf9 s MET 453 Ca 0.54 -0.76 -0.05 0.00 -1.25 0.00 0.00 55.69 54.17 1xf9 s MET 453 Cb -0.11 -2.57 -0.03 0.00 1.25 0.00 0.00 34.83 33.38 1xf9 s MET 453 CO 0.52 0.09 -0.00 -1.17 1.05 0.00 0.00 175.02 175.50 1xf9 s LEU 454 N 0.63 3.28 -0.26 4.11 2.96 0.97 -1.51 118.68 128.85 1xf9 s LEU 454 Ca -0.09 -0.18 -0.10 0.00 -0.22 0.00 0.00 54.13 53.55 1xf9 s LEU 454 Cb -0.16 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 1xf9 s LEU 454 CO 0.03 0.09 0.14 0.00 -1.32 0.00 0.00 176.35 175.28 1xf9 s ALA 455 N 0.87 3.41 -0.17 5.97 0.00 -0.55 -0.15 121.76 131.14 1xf9 s ALA 455 Ca 0.01 -1.07 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 1xf9 s ALA 455 Cb -0.14 -2.30 -0.02 0.00 0.00 0.00 0.00 23.12 20.65 1xf9 s ALA 455 CO 0.02 -0.46 -0.05 0.42 0.00 0.00 0.00 175.76 175.70 1xf9 s ILE 456 N 1.57 3.70 0.06 0.00 1.01 0.23 -0.92 121.20 126.85 1xf9 s ILE 456 Ca 0.07 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.31 1xf9 s ILE 456 Cb -0.15 -2.63 -0.00 0.00 0.01 0.00 0.00 42.46 39.68 1xf9 s ILE 456 CO 0.07 0.48 0.07 1.07 0.00 0.00 0.00 174.94 176.63 1xf9 n THR 457 N 3.83 0.00 -0.92 2.92 5.66 -0.19 -0.32 114.28 125.27 1xf9 n THR 457 Ca -0.18 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.41 1xf9 n THR 457 Cb 0.52 0.22 0.00 0.00 -1.55 0.00 0.00 70.33 69.52 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 -0.11 -0.23 3.72 1.09 0.00 -1.26 -0.74 105.19 107.66 1xf9 n GLY 458 Ca 0.01 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.27 3.40 0.30 1.61 1.04 -0.81 -4.68 113.70 112.29 1xf9 s SER 459 Ca 0.00 1.36 -0.29 0.00 0.48 0.00 0.00 55.95 57.50 1xf9 s SER 459 Cb 0.00 -2.04 -0.10 0.00 0.10 0.00 0.00 66.02 63.97 1xf9 s SER 459 CO 0.00 -2.67 1.43 -0.89 0.98 0.00 0.00 173.24 172.09 1xf9 s THR 460 N -2.99 2.49 -1.26 2.02 2.01 -1.26 -2.97 115.64 113.68 1xf9 s THR 460 Ca 0.64 0.45 -0.07 0.00 0.31 0.00 0.00 61.69 63.01 1xf9 s THR 460 Cb -0.17 -3.28 0.01 0.00 0.01 0.00 0.00 72.50 69.06 1xf9 s THR 460 CO 0.57 0.09 1.09 0.61 -0.69 0.00 0.00 174.62 176.28 1xf9 n GLY 461 N 1.48 -0.44 0.25 4.40 0.00 -1.26 -4.92 105.19 104.71 1xf9 n GLY 461 Ca 0.04 0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.80 1.34 0.00 1.61 3.41 -1.16 -4.67 113.62 111.35 1xf9 n SER 462 Ca -0.04 -1.07 0.00 0.00 -0.26 0.00 0.00 58.87 57.50 1xf9 n SER 462 Cb 0.57 0.49 0.00 0.00 -0.26 0.00 0.00 64.21 65.01 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 1.37 0.09 5.00 0.00 -1.26 -0.99 105.19 110.82 1xf9 n GLY 463 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.10 -0.10 1.61 1.57 -1.92 -1.31 116.57 116.31 1xf9 h LYS 464 Ca 0.00 0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1xf9 h LYS 464 Cb 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1xf9 h LYS 464 CO 0.00 0.18 -0.39 1.15 -0.57 0.00 0.00 179.45 179.82 1xf9 h THR 465 N -0.38 1.30 -0.43 -0.16 2.02 -2.00 -2.99 112.91 110.28 1xf9 h THR 465 Ca -0.01 -1.45 -0.06 0.00 0.77 0.00 0.00 66.41 65.66 1xf9 h THR 465 Cb 0.32 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 1xf9 h THR 465 CO 0.02 0.43 0.05 0.28 0.37 0.00 0.00 175.52 176.67 1xf9 h SER 466 N 0.18 0.70 -0.71 4.18 0.02 -1.95 -1.38 113.55 114.58 1xf9 h SER 466 Ca 0.02 -0.27 0.11 0.00 -0.84 0.00 0.00 61.79 60.81 1xf9 h SER 466 Cb 0.77 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 63.08 1xf9 h SER 466 CO 0.06 0.80 0.47 0.25 -1.14 0.00 0.00 176.83 177.27 1xf9 h LEU 467 N 0.57 0.47 -0.15 5.07 5.85 -1.10 0.11 115.31 126.14 1xf9 h LEU 467 Ca 0.13 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1xf9 h LEU 467 Cb 0.41 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 1xf9 h LEU 467 CO 0.01 0.27 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.25 1xf9 h LEU 468 N 0.52 0.32 -2.04 2.25 4.07 -1.30 -2.60 115.31 116.54 1xf9 h LEU 468 Ca 0.33 -0.41 -0.01 0.00 0.08 0.00 0.00 57.88 57.88 1xf9 h LEU 468 Cb 0.60 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.25 1xf9 h LEU 468 CO -0.11 0.66 -0.05 0.24 -1.08 0.00 0.00 178.44 178.09 1xf9 h MET 469 N -0.01 0.00 -0.54 1.13 2.86 0.00 0.30 114.93 118.66 1xf9 h MET 469 Ca 0.03 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1xf9 h MET 469 Cb 0.53 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 1xf9 h MET 469 CO 0.02 0.05 0.28 1.25 1.06 0.00 0.00 176.91 179.57 1xf9 h LEU 470 N 0.00 0.69 -0.31 1.22 5.85 -0.52 0.27 115.31 122.52 1xf9 h LEU 470 Ca -0.00 -0.11 -0.19 0.00 0.84 0.00 0.00 57.88 58.41 1xf9 h LEU 470 Cb 0.11 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1xf9 h LEU 470 CO 0.01 0.61 -0.66 0.40 -0.34 0.00 0.00 178.44 178.46 1xf9 h ILE 471 N 0.73 1.30 0.00 4.05 2.04 -0.73 -2.44 117.51 122.45 1xf9 h ILE 471 Ca 0.19 -1.89 0.00 0.00 1.00 0.00 0.00 64.86 64.16 1xf9 h ILE 471 Cb 0.08 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1xf9 h ILE 471 CO -0.03 0.60 0.00 0.18 0.00 0.00 0.00 178.15 178.90 1xf9 n LEU 472 N -3.95 0.00 0.00 1.44 4.77 -0.07 -4.82 117.00 114.36 1xf9 n LEU 472 Ca -0.05 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1xf9 n LEU 472 Cb 0.68 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1xf9 n LEU 472 CO 0.50 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1xf9 n GLY 473 N -0.23 0.49 0.00 -0.72 0.00 -0.07 -4.90 105.19 99.76 1xf9 n GLY 473 Ca 0.04 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.00 0.01 -4.20 1.61 -0.58 0.76 -4.69 120.64 110.55 1xf9 n GLU 474 Ca 0.00 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.55 1xf9 n GLU 474 Cb 0.00 -1.51 -0.16 0.00 -0.57 0.00 0.00 31.44 29.20 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 -3.03 1.44 0.15 -4.62 2.96 -1.14 -4.92 118.68 109.52 1xf9 s LEU 475 Ca 0.13 -0.13 -0.12 0.00 -0.22 0.00 0.00 54.13 53.79 1xf9 s LEU 475 Cb 0.19 -0.45 -0.07 0.00 0.50 0.00 0.00 46.19 46.36 1xf9 s LEU 475 CO 0.56 -0.03 0.52 -1.83 -1.32 0.00 0.00 176.35 174.25 1xf9 s GLU 476 N 0.74 3.89 -0.64 1.98 1.03 -1.26 -4.48 118.70 119.97 1xf9 s GLU 476 Ca -0.10 0.37 -0.23 0.00 0.03 0.00 0.00 54.97 55.04 1xf9 s GLU 476 Cb -0.13 -2.88 0.06 0.00 -0.80 0.00 0.00 34.13 30.38 1xf9 s GLU 476 CO 0.00 0.46 0.99 0.00 -1.33 0.00 0.00 175.26 175.38 1xf9 s ALA 477 N -1.54 3.08 0.40 -0.84 0.00 -1.26 -4.40 121.76 117.20 1xf9 s ALA 477 Ca 0.39 -1.65 0.09 0.00 0.00 0.00 0.00 51.96 50.79 1xf9 s ALA 477 Cb -0.14 -3.88 0.87 0.00 0.00 0.00 0.00 23.12 19.98 1xf9 s ALA 477 CO 0.19 -2.74 1.98 0.77 0.00 0.00 0.00 175.76 175.96 1xf9 h SER 478 N 9.56 0.52 -5.33 0.00 0.02 -1.22 -3.44 113.55 113.65 1xf9 h SER 478 Ca -0.28 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.52 1xf9 h SER 478 Cb 1.07 -0.11 -0.15 0.00 0.14 0.00 0.00 62.40 63.35 1xf9 h SER 478 CO 1.17 0.33 -0.62 -1.61 -1.14 0.00 0.00 176.83 174.96 1xf9 s GLU 479 N -5.53 0.82 0.00 3.45 2.02 -0.94 -4.99 118.70 113.52 1xf9 s GLU 479 Ca -0.09 -1.32 0.00 0.00 0.02 0.00 0.00 54.97 53.59 1xf9 s GLU 479 Cb 0.19 0.25 0.00 0.00 0.10 0.00 0.00 34.13 34.67 1xf9 s GLU 479 CO 0.76 -0.22 0.00 0.41 0.02 0.00 0.00 175.26 176.23 1xf9 n GLY 480 N -0.03 -0.83 3.39 -1.39 0.00 -1.04 -2.27 105.19 103.02 1xf9 n GLY 480 Ca -0.09 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.92 2.56 -0.10 -0.61 1.01 -0.08 -4.90 121.20 117.17 1xf9 s ILE 481 Ca 0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.74 1xf9 s ILE 481 Cb 0.00 -1.96 0.03 0.00 0.01 0.00 0.00 42.46 40.53 1xf9 s ILE 481 CO 0.00 0.58 -0.05 -0.51 0.00 0.00 0.00 174.94 174.96 1xf9 s ILE 482 N -0.58 0.82 -0.08 2.92 2.07 -1.26 -0.15 121.20 124.94 1xf9 s ILE 482 Ca 0.08 -0.16 0.04 0.00 -1.41 0.00 0.00 60.65 59.20 1xf9 s ILE 482 Cb -0.11 -0.88 0.00 0.00 0.13 0.00 0.00 42.46 41.60 1xf9 s ILE 482 CO 0.00 0.33 -0.21 -0.54 -1.91 0.00 0.00 174.94 172.62 1xf9 s LYS 483 N 1.75 2.63 -0.27 3.50 1.02 0.71 -4.98 119.74 124.10 1xf9 s LYS 483 Ca 0.04 -0.77 -0.28 0.00 0.02 0.00 0.00 55.97 54.98 1xf9 s LYS 483 Cb -0.13 -2.05 0.18 0.00 -0.52 0.00 0.00 37.83 35.32 1xf9 s LYS 483 CO -0.07 0.17 1.30 -3.38 -0.92 0.00 0.00 175.35 172.45 1xf9 s HIS 484 N 0.34 -0.12 0.06 3.18 -3.43 -1.26 -0.18 115.29 113.87 1xf9 s HIS 484 Ca -0.15 0.23 -0.01 0.00 -0.80 0.00 0.00 55.06 54.33 1xf9 s HIS 484 Cb -0.17 0.48 -0.04 0.00 -1.43 0.00 0.00 32.58 31.42 1xf9 s HIS 484 CO 0.07 -0.10 -0.03 -1.54 -2.00 0.00 0.00 174.74 171.14 1xf9 s SER 485 N -0.75 0.57 0.00 7.38 1.04 -1.26 -5.09 113.70 115.60 1xf9 s SER 485 Ca 0.06 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.50 1xf9 s SER 485 Cb -0.02 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1xf9 s SER 485 CO -0.08 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.18 1xf9 n GLY 486 N 0.12 -3.69 3.79 7.32 0.00 -1.26 -4.73 105.19 106.74 1xf9 n GLY 486 Ca -0.14 -2.14 -0.35 0.00 0.00 0.00 0.00 46.02 43.39 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 -0.94 3.86 -0.02 1.61 0.52 -1.26 -4.90 118.95 117.82 1xf9 s ARG 487 Ca 0.00 1.46 0.04 0.00 -0.52 0.00 0.00 55.73 56.71 1xf9 s ARG 487 Cb 0.00 -2.23 -0.01 0.00 0.52 0.00 0.00 34.95 33.23 1xf9 s ARG 487 CO 0.00 -0.40 -0.14 0.08 0.02 0.00 0.00 175.30 174.86 1xf9 s VAL 488 N -1.84 1.15 -0.12 3.52 1.01 -1.26 -1.11 120.40 121.76 1xf9 s VAL 488 Ca 0.65 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 1xf9 s VAL 488 Cb -0.20 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1xf9 s VAL 488 CO 0.24 0.33 -0.07 -0.55 0.00 0.00 0.00 175.10 175.05 1xf9 s SER 489 N -0.15 4.57 -0.13 3.32 0.15 -0.17 -4.99 113.70 116.30 1xf9 s SER 489 Ca 0.02 -0.13 0.02 0.00 0.70 0.00 0.00 55.95 56.55 1xf9 s SER 489 Cb -0.08 -1.52 -0.00 0.00 -1.71 0.00 0.00 66.02 62.71 1xf9 s SER 489 CO 0.00 0.24 -0.19 0.12 1.20 0.00 0.00 173.24 174.61 1xf9 s PHE 490 N -0.06 2.69 -0.35 3.44 5.36 -1.26 0.03 117.98 127.83 1xf9 s PHE 490 Ca 0.00 -1.05 -0.01 0.00 -0.96 0.00 0.00 56.93 54.91 1xf9 s PHE 490 Cb -0.13 -1.81 0.08 0.00 -0.34 0.00 0.00 43.02 40.82 1xf9 s PHE 490 CO 0.03 -0.45 0.09 0.00 -1.46 0.00 0.00 175.22 173.43 1xf9 s SER 492 N 1.43 5.35 0.41 0.00 1.04 -1.26 -0.02 113.70 120.64 1xf9 s SER 492 Ca 0.02 1.51 0.07 0.00 0.48 0.00 0.00 55.95 58.04 1xf9 s SER 492 Cb -0.21 -2.38 0.85 0.00 0.10 0.00 0.00 66.02 64.38 1xf9 s SER 492 CO -0.03 -1.45 2.04 -0.61 0.98 0.00 0.00 173.24 174.16 1xf9 h GLN 493 N -0.72 0.48 -5.85 4.02 4.15 -1.91 -3.38 115.11 111.90 1xf9 h GLN 493 Ca -0.44 -0.04 -0.59 0.00 0.77 0.00 0.00 58.65 58.34 1xf9 h GLN 493 Cb 1.22 -0.10 -0.08 0.00 0.21 0.00 0.00 27.48 28.73 1xf9 h GLN 493 CO 0.58 0.36 0.46 0.12 -1.93 0.00 0.00 178.83 178.42 1xf9 s PHE 494 N -5.36 3.34 -0.44 3.99 5.36 -1.26 -4.96 117.98 118.66 1xf9 s PHE 494 Ca -0.08 1.19 -0.23 0.00 -0.96 0.00 0.00 56.93 56.85 1xf9 s PHE 494 Cb 0.17 -3.05 0.02 0.00 -0.34 0.00 0.00 43.02 39.82 1xf9 s PHE 494 CO 0.73 -0.36 0.78 -1.12 -1.46 0.00 0.00 175.22 173.79 1xf9 s SER 495 N 1.28 6.43 0.10 6.13 0.01 -1.26 -5.03 113.70 121.36 1xf9 s SER 495 Ca 0.36 -0.05 -0.01 0.00 1.31 0.00 0.00 55.95 57.56 1xf9 s SER 495 Cb -0.16 -2.38 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 1xf9 s SER 495 CO 0.09 -0.88 0.28 -1.66 0.41 0.00 0.00 173.24 171.47 1xf9 s TRP 496 N 3.24 3.50 -0.08 2.43 1.48 -1.26 -4.95 118.94 123.30 1xf9 s TRP 496 Ca 0.30 0.32 -0.01 0.00 -1.06 0.00 0.00 56.10 55.64 1xf9 s TRP 496 Cb -0.12 -1.82 0.03 0.00 -1.16 0.00 0.00 33.47 30.40 1xf9 s TRP 496 CO 0.22 0.52 -0.02 0.42 -4.06 0.00 0.00 176.95 174.03 1xf9 s ILE 497 N -1.61 0.53 0.41 0.66 -1.09 -1.26 -4.71 121.20 114.13 1xf9 s ILE 497 Ca 0.37 0.02 0.00 0.00 -2.23 0.00 0.00 60.65 58.81 1xf9 s ILE 497 Cb -0.12 -0.65 -0.02 0.00 -1.58 0.00 0.00 42.46 40.09 1xf9 s ILE 497 CO 0.27 0.28 0.63 0.00 -1.23 0.00 0.00 174.94 174.90 1xf9 s MET 498 N 1.85 3.25 0.22 2.79 0.23 -1.26 -0.85 119.30 125.52 1xf9 s MET 498 Ca 0.04 -0.39 -0.31 0.00 -1.03 0.00 0.00 55.69 54.00 1xf9 s MET 498 Cb -0.12 -2.59 -0.10 0.00 -1.53 0.00 0.00 34.83 30.49 1xf9 s MET 498 CO -0.06 -0.11 1.55 -2.14 -2.03 0.00 0.00 175.02 172.23 1xf9 s PRO 499 N -4.48 4.20 0.00 3.16 0.02 -1.26 -4.59 135.00 132.05 1xf9 s PRO 499 Ca 0.45 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.88 1xf9 s PRO 499 Cb -0.10 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.31 1xf9 s PRO 499 CO 0.38 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.88 1xf9 n GLY 500 N 3.05 0.56 3.76 0.52 0.00 -1.06 -4.97 105.19 107.05 1xf9 n GLY 500 Ca 0.11 -1.87 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.20 2.75 0.20 2.61 -4.23 -1.26 -1.71 115.64 112.78 1xf9 s THR 501 Ca 0.00 0.24 -0.11 0.00 -1.18 0.00 0.00 61.69 60.64 1xf9 s THR 501 Cb 0.00 -2.88 0.11 0.00 1.34 0.00 0.00 72.50 71.08 1xf9 s THR 501 CO 0.00 -0.32 1.83 0.40 -0.54 0.00 0.00 174.62 175.99 1xf9 h ILE 502 N -1.35 1.07 0.32 2.99 2.04 -1.45 0.81 117.51 121.95 1xf9 h ILE 502 Ca -0.49 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 1xf9 h ILE 502 Cb 1.28 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1xf9 h ILE 502 CO 0.58 0.14 -0.16 0.50 0.00 0.00 0.00 178.15 179.21 1xf9 h LYS 503 N 0.75 -0.42 -1.00 2.37 3.64 -1.47 -1.97 116.57 118.46 1xf9 h LYS 503 Ca 0.25 0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.85 1xf9 h LYS 503 Cb 0.03 0.10 -0.10 0.00 -0.41 0.00 0.00 32.23 31.85 1xf9 h LYS 503 CO -0.11 -0.25 0.61 0.93 -2.27 0.00 0.00 179.45 178.36 1xf9 h GLU 504 N -0.48 0.72 -0.21 1.90 5.08 -1.76 -0.29 114.58 119.54 1xf9 h GLU 504 Ca -0.04 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1xf9 h GLU 504 Cb 0.36 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1xf9 h GLU 504 CO 0.07 0.48 -0.32 -0.91 -1.00 0.00 0.00 179.01 177.33 1xf9 h ASN 505 N 0.74 0.45 0.35 1.42 2.35 -0.46 0.15 115.58 120.58 1xf9 h ASN 505 Ca 0.57 -0.17 -0.22 0.00 -0.55 0.00 0.00 56.30 55.93 1xf9 h ASN 505 Cb 0.92 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.17 1xf9 h ASN 505 CO -0.36 0.75 -0.92 0.40 -1.65 0.00 0.00 177.43 175.64 1xf9 h ILE 506 N 0.38 1.41 0.14 2.81 2.04 -0.35 -3.36 117.51 120.58 1xf9 h ILE 506 Ca 0.05 -2.44 -0.35 0.00 1.00 0.00 0.00 64.86 63.11 1xf9 h ILE 506 Cb 0.75 2.40 -0.01 0.00 -0.74 0.00 0.00 36.82 39.23 1xf9 h ILE 506 CO 0.06 0.73 -1.83 0.40 0.00 0.00 0.00 178.15 177.50 1xf9 h ILE 507 N 0.23 0.82 0.00 -0.67 2.04 -1.22 -3.38 117.51 115.33 1xf9 h ILE 507 Ca -0.07 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.31 1xf9 h ILE 507 Cb 1.56 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 40.27 1xf9 h ILE 507 CO 0.16 0.85 0.00 -1.20 0.00 0.00 0.00 178.15 177.96 1xf9 n SER 508 N -3.50 0.00 -1.60 1.72 7.64 0.51 -1.42 113.62 116.98 1xf9 n SER 508 Ca -0.26 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.53 1xf9 n SER 508 Cb 1.06 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 64.40 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 3.14 3.61 0.23 0.00 -1.26 -4.92 105.19 105.99 1xf9 n GLY 509 Ca 0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.92 3.58 0.34 1.61 1.01 -0.51 -5.08 120.40 119.43 1xf9 s VAL 510 Ca 0.32 -1.15 -0.29 0.00 0.00 0.00 0.00 61.98 60.87 1xf9 s VAL 510 Cb 0.27 -2.68 -0.11 0.00 0.00 0.00 0.00 36.38 33.86 1xf9 s VAL 510 CO 0.07 0.14 1.50 -1.54 0.00 0.00 0.00 175.10 175.26 1xf9 n SER 511 N 0.73 3.66 -4.66 3.32 3.41 -1.26 -4.95 113.62 113.87 1xf9 n SER 511 Ca -0.13 1.20 -0.42 0.00 -0.26 0.00 0.00 58.87 59.27 1xf9 n SER 511 Cb 0.52 -1.59 -0.04 0.00 -0.26 0.00 0.00 64.21 62.84 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 -0.75 3.39 -0.21 7.33 5.04 -1.26 -5.02 117.35 125.86 1xf9 s TYR 512 Ca 0.57 1.23 0.00 0.00 -2.44 0.00 0.00 57.07 56.44 1xf9 s TYR 512 Cb -0.50 -3.03 0.05 0.00 0.35 0.00 0.00 41.96 38.84 1xf9 s TYR 512 CO 0.59 -0.28 -0.06 0.34 -1.34 0.00 0.00 175.55 174.79 1xf9 s ASP 513 N 1.20 3.53 0.24 4.32 -1.08 -1.26 -5.03 116.67 118.59 1xf9 s ASP 513 Ca 0.38 -1.01 -0.06 0.00 -0.52 0.00 0.00 52.55 51.34 1xf9 s ASP 513 Cb -0.16 -1.12 0.43 0.00 -1.46 0.00 0.00 42.92 40.61 1xf9 s ASP 513 CO 0.11 -0.21 1.69 -0.08 0.52 0.00 0.00 175.17 177.21 1xf9 h GLU 514 N 8.00 0.28 -0.40 4.34 4.81 -1.99 0.46 114.58 130.07 1xf9 h GLU 514 Ca -0.21 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 58.90 1xf9 h GLU 514 Cb 1.09 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1xf9 h GLU 514 CO 0.42 0.19 -0.14 1.88 -0.73 0.00 0.00 179.01 180.63 1xf9 h TYR 515 N 0.29 0.92 -0.13 0.92 0.05 -1.99 -1.06 116.97 115.97 1xf9 h TYR 515 Ca 0.40 -0.21 -0.00 0.00 0.05 0.00 0.00 58.73 58.96 1xf9 h TYR 515 Cb 0.65 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.17 1xf9 h TYR 515 CO -0.25 0.95 0.07 -0.09 -1.05 0.00 0.00 178.16 177.80 1xf9 h ARG 516 N 0.62 0.17 0.19 4.88 2.43 -1.80 -1.79 114.38 119.09 1xf9 h ARG 516 Ca 0.10 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1xf9 h ARG 516 Cb 0.68 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1xf9 h ARG 516 CO 0.05 0.17 -0.11 -0.92 -1.51 0.00 0.00 179.97 177.65 1xf9 h TYR 517 N 0.13 -0.29 0.00 2.20 3.20 -0.81 -2.02 116.97 119.38 1xf9 h TYR 517 Ca 0.05 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 1xf9 h TYR 517 Cb 0.04 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1xf9 h TYR 517 CO -0.05 -0.18 -0.21 0.87 -1.64 0.00 0.00 178.16 176.95 1xf9 h LYS 518 N -0.29 0.00 -0.31 1.82 1.57 -1.20 -1.36 116.57 116.80 1xf9 h LYS 518 Ca -0.02 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1xf9 h LYS 518 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1xf9 h LYS 518 CO 0.03 0.21 -0.03 1.03 -0.57 0.00 0.00 179.45 180.12 1xf9 h SER 519 N 0.00 0.56 -0.19 0.86 0.87 -0.96 -2.00 113.55 112.69 1xf9 h SER 519 Ca -0.00 -0.33 -0.11 0.00 -1.23 0.00 0.00 61.79 60.11 1xf9 h SER 519 Cb 0.52 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1xf9 h SER 519 CO 0.03 0.76 -0.32 0.58 -0.53 0.00 0.00 176.83 177.34 1xf9 h VAL 520 N 0.34 1.34 0.36 2.23 2.07 -1.01 -1.73 116.25 119.85 1xf9 h VAL 520 Ca 0.08 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 1xf9 h VAL 520 Cb 0.49 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1xf9 h VAL 520 CO 0.02 0.47 -0.28 0.58 0.02 0.00 0.00 177.57 178.38 1xf9 h VAL 521 N 0.20 0.41 -0.07 2.57 2.07 -1.28 -0.33 116.25 119.82 1xf9 h VAL 521 Ca 0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.57 1xf9 h VAL 521 Cb 0.91 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1xf9 h VAL 521 CO 0.07 0.00 -0.26 0.50 0.02 0.00 0.00 177.57 177.91 1xf9 h LYS 522 N -0.64 -0.35 -0.24 1.57 3.64 -1.41 -2.13 116.57 117.01 1xf9 h LYS 522 Ca -0.03 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1xf9 h LYS 522 Cb 0.56 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1xf9 h LYS 522 CO -0.01 -0.23 0.17 0.00 -2.27 0.00 0.00 179.45 177.11 1xf9 h ALA 523 N 0.52 2.17 -0.19 5.00 0.00 -1.09 -0.86 119.26 124.81 1xf9 h ALA 523 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xf9 h ALA 523 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xf9 h ALA 523 CO -0.27 -0.23 0.00 0.00 0.00 0.00 0.00 179.25 178.75 1xf9 n GLN 525 N 0.26 -1.52 0.10 0.00 1.13 -0.33 -4.89 117.38 112.13 1xf9 n GLN 525 Ca 0.14 0.81 0.13 0.00 -1.94 0.00 0.00 57.00 56.15 1xf9 n GLN 525 Cb 0.29 -5.26 0.33 0.00 0.11 0.00 0.00 30.24 25.72 1xf9 n GLN 525 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1xf9 h LEU 526 N -0.07 0.00 -0.59 1.08 3.38 -1.60 -3.31 115.31 114.20 1xf9 h LEU 526 Ca -0.40 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 1xf9 h LEU 526 Cb 1.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 1xf9 h LEU 526 CO 0.47 0.02 0.22 -0.61 0.09 0.00 0.00 178.44 178.63 1xf9 h GLN 527 N 0.00 0.90 0.00 1.13 5.75 -1.86 -1.31 115.11 119.71 1xf9 h GLN 527 Ca 0.00 -0.17 -0.01 0.00 -0.15 0.00 0.00 58.65 58.32 1xf9 h GLN 527 Cb 0.76 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 29.17 1xf9 h GLN 527 CO 0.00 0.78 -0.05 1.96 -2.65 0.00 0.00 178.83 178.87 1xf9 h GLN 528 N 0.82 0.00 0.00 1.69 7.50 -1.95 -2.62 115.11 120.55 1xf9 h GLN 528 Ca 0.19 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.30 1xf9 h GLN 528 Cb 0.23 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.76 1xf9 h GLN 528 CO -0.01 0.05 -0.49 -0.44 -1.50 0.00 0.00 178.83 176.43 1xf9 h ASP 529 N 0.00 0.00 0.15 1.46 3.32 -1.52 -3.39 116.42 116.44 1xf9 h ASP 529 Ca -0.00 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 1xf9 h ASP 529 Cb 0.13 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1xf9 h ASP 529 CO 0.01 0.86 -0.00 0.16 -1.72 0.00 0.00 179.24 178.55 1xf9 h ILE 530 N -1.00 0.00 0.00 0.35 3.07 -1.31 -0.18 117.51 118.44 1xf9 h ILE 530 Ca -0.07 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 66.27 1xf9 h ILE 530 Cb 0.59 1.07 0.00 0.00 -0.27 0.00 0.00 36.82 38.21 1xf9 h ILE 530 CO -0.04 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.06 1xf9 h THR 531 N 0.00 0.00 0.00 0.16 1.03 -1.66 -2.46 112.91 109.98 1xf9 h THR 531 Ca -0.00 -0.38 0.00 0.00 -0.01 0.00 0.00 66.41 66.02 1xf9 h THR 531 Cb 0.07 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.40 1xf9 h THR 531 CO 0.00 0.00 0.00 0.11 -0.01 0.00 0.00 175.52 175.62 1xf9 h LYS 532 N 0.00 0.00 -5.90 0.00 1.57 -1.22 -3.46 116.57 107.55 1xf9 h LYS 532 Ca 0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 1xf9 h LYS 532 Cb 0.45 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.70 1xf9 h LYS 532 CO 0.00 0.00 -0.52 -0.06 -0.57 0.00 0.00 179.45 178.30 1xf9 s PHE 533 N -3.15 3.46 0.18 -1.35 0.08 -0.93 -5.02 117.98 111.25 1xf9 s PHE 533 Ca 0.09 0.28 -0.13 0.00 0.12 0.00 0.00 56.93 57.29 1xf9 s PHE 533 Cb 0.10 -1.78 0.13 0.00 -0.57 0.00 0.00 43.02 40.90 1xf9 s PHE 533 CO 0.61 0.60 1.78 0.00 -0.10 0.00 0.00 175.22 178.12 1xf9 h ALA 534 N 3.62 0.62 -0.52 5.36 0.00 -1.89 -2.43 119.26 124.02 1xf9 h ALA 534 Ca -0.48 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xf9 h ALA 534 Cb 1.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1xf9 h ALA 534 CO 0.69 -0.11 0.00 0.39 0.00 0.00 0.00 179.25 180.22 1xf9 n GLU 535 N -4.90 3.45 0.00 0.00 -0.58 -1.26 -5.04 120.64 112.31 1xf9 n GLU 535 Ca 0.04 -2.39 0.00 0.00 -0.42 0.00 0.00 57.16 54.39 1xf9 n GLU 535 Cb 0.13 -1.86 0.00 0.00 -0.57 0.00 0.00 31.44 29.15 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 0.81 0.00 0.00 3.49 6.02 -0.92 -0.45 117.38 126.33 1xf9 n GLN 536 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1xf9 n GLN 536 Cb 0.81 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.07 1xf9 n GLN 536 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1xf9 n ASP 537 N 1.64 0.26 -0.69 1.08 5.75 -1.26 -1.88 116.55 121.45 1xf9 n ASP 537 Ca 0.00 -1.46 0.06 0.00 -0.01 0.00 0.00 54.79 53.38 1xf9 n ASP 537 Cb 0.00 -0.13 0.16 0.00 -1.03 0.00 0.00 41.12 40.12 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 -0.28 2.91 -4.73 -1.12 3.02 0.40 -1.21 115.26 114.26 1xf9 n ASN 538 Ca 0.00 -1.94 -0.42 0.00 -0.03 0.00 0.00 54.58 52.20 1xf9 n ASN 538 Cb 0.06 -0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 38.98 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 -1.01 3.21 -0.03 3.41 2.01 -0.79 -4.81 115.64 117.63 1xf9 s THR 539 Ca 0.25 0.93 -0.27 0.00 0.31 0.00 0.00 61.69 62.91 1xf9 s THR 539 Cb 0.13 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 1xf9 s THR 539 CO 0.17 0.11 0.83 -0.69 -0.69 0.00 0.00 174.62 174.36 1xf9 s VAL 540 N 0.55 4.96 0.15 3.82 1.01 -1.26 -2.19 120.40 127.45 1xf9 s VAL 540 Ca 0.60 1.74 0.07 0.00 0.00 0.00 0.00 61.98 64.39 1xf9 s VAL 540 Cb -0.37 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 31.80 1xf9 s VAL 540 CO 0.35 0.21 -0.01 -0.76 0.00 0.00 0.00 175.10 174.89 1xf9 s LEU 541 N 0.89 3.31 0.26 3.92 1.43 -0.70 -4.98 118.68 122.82 1xf9 s LEU 541 Ca 0.44 -0.36 0.06 0.00 -1.03 0.00 0.00 54.13 53.25 1xf9 s LEU 541 Cb -0.19 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 1xf9 s LEU 541 CO 0.23 0.11 0.31 -0.83 0.23 0.00 0.00 176.35 176.40 1xf9 s GLY 542 N -2.76 1.37 -0.14 -3.19 0.00 -1.26 -2.55 107.32 98.79 1xf9 s GLY 542 Ca 0.26 -1.36 -0.41 0.00 0.00 0.00 0.00 44.72 43.22 1xf9 s GLY 542 CO 0.18 -1.37 1.34 -2.21 0.00 0.00 0.00 173.10 171.05 1xf9 n GLU 543 N -1.35 0.37 0.00 2.90 4.07 -1.26 0.27 120.64 125.64 1xf9 n GLU 543 Ca -0.07 0.13 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 1xf9 n GLU 543 Cb 0.58 -1.69 0.00 0.00 -0.06 0.00 0.00 31.44 30.27 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 2.66 2.20 4.27 8.31 0.00 -0.03 -4.44 105.19 118.16 1xf9 n GLY 544 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.18 0.38 -0.02 0.00 0.14 -4.74 105.19 98.78 1xf9 n GLY 545 Ca 0.00 0.16 0.15 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.70 0.80 -0.01 1.61 2.07 -1.78 -2.45 116.25 114.78 1xf9 h VAL 546 Ca -0.65 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1xf9 h VAL 546 Cb 1.39 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1xf9 h VAL 546 CO 0.71 0.07 -0.04 0.35 0.02 0.00 0.00 177.57 178.69 1xf9 n THR 547 N -4.47 0.00 -2.23 2.57 -2.24 -1.26 -4.87 114.28 101.79 1xf9 n THR 547 Ca 0.14 -0.18 -0.27 0.00 -2.27 0.00 0.00 64.05 61.47 1xf9 n THR 547 Cb 0.52 0.26 0.05 0.00 -2.10 0.00 0.00 70.33 69.07 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 -2.09 2.96 0.68 3.22 1.02 -0.92 -5.08 118.68 118.47 1xf9 s LEU 548 Ca 0.37 0.63 -0.06 0.00 0.02 0.00 0.00 54.13 55.10 1xf9 s LEU 548 Cb 0.21 -3.36 0.05 0.00 0.02 0.00 0.00 46.19 43.11 1xf9 s LEU 548 CO 0.37 -1.39 0.99 -0.94 0.02 0.00 0.00 176.35 175.40 1xf9 s SER 549 N -4.43 4.93 0.24 2.29 1.04 -1.26 -4.91 113.70 111.61 1xf9 s SER 549 Ca 0.58 0.45 -0.05 0.00 0.48 0.00 0.00 55.95 57.41 1xf9 s SER 549 Cb -0.11 -1.16 0.26 0.00 0.10 0.00 0.00 66.02 65.12 1xf9 s SER 549 CO 0.46 -1.51 1.77 1.23 0.98 0.00 0.00 173.24 176.17 1xf9 h GLY 550 N -0.51 1.05 0.94 7.32 0.00 -1.97 -1.92 103.07 107.99 1xf9 h GLY 550 Ca -0.44 -0.64 -0.09 0.00 0.00 0.00 0.00 47.33 46.16 1xf9 h GLY 550 CO 0.60 0.59 -0.15 -1.33 0.00 0.00 0.00 176.54 176.25 1xf9 h GLY 551 N 1.04 0.73 0.78 4.60 0.00 -1.96 -1.85 103.07 106.40 1xf9 h GLY 551 Ca 0.20 -0.65 0.03 0.00 0.00 0.00 0.00 47.33 46.91 1xf9 h GLY 551 CO 0.00 0.59 0.17 1.46 0.00 0.00 0.00 176.54 178.77 1xf9 h GLN 552 N 0.44 0.34 -0.64 4.80 4.20 -1.91 -0.07 115.11 122.28 1xf9 h GLN 552 Ca 0.07 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 1xf9 h GLN 552 Cb 0.68 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 1xf9 h GLN 552 CO 0.05 0.23 0.28 0.00 -0.67 0.00 0.00 178.83 178.72 1xf9 h ARG 553 N 0.35 0.91 -0.32 1.46 3.08 -1.30 -2.02 114.38 116.55 1xf9 h ARG 553 Ca 0.16 -0.13 -0.16 0.00 0.07 0.00 0.00 59.98 59.92 1xf9 h ARG 553 Cb 0.09 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 1xf9 h ARG 553 CO -0.13 0.72 -0.43 0.00 -1.07 0.00 0.00 179.97 179.07 1xf9 h ALA 554 N 1.41 0.48 -0.59 0.04 0.00 -0.79 -1.43 119.26 118.38 1xf9 h ALA 554 Ca 0.22 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1xf9 h ALA 554 Cb 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1xf9 h ALA 554 CO -0.03 0.61 0.23 0.00 0.00 0.00 0.00 179.25 180.07 1xf9 h ARG 555 N 0.64 0.88 -0.17 0.00 3.08 -0.69 0.73 114.38 118.86 1xf9 h ARG 555 Ca 0.04 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1xf9 h ARG 555 Cb 1.02 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 1xf9 h ARG 555 CO 0.10 0.76 0.04 0.82 -1.07 0.00 0.00 179.97 180.63 1xf9 h ILE 556 N 0.82 1.20 -0.54 2.04 2.04 -1.38 0.73 117.51 122.41 1xf9 h ILE 556 Ca 0.20 -0.62 0.05 0.00 1.00 0.00 0.00 64.86 65.48 1xf9 h ILE 556 Cb 0.21 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 1xf9 h ILE 556 CO -0.02 0.19 0.27 -1.28 0.00 0.00 0.00 178.15 177.32 1xf9 h SER 557 N 0.09 0.39 -0.57 1.72 0.87 -0.91 0.30 113.55 115.43 1xf9 h SER 557 Ca 0.05 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 1xf9 h SER 557 Cb 0.25 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1xf9 h SER 557 CO -0.00 0.27 0.15 0.25 -0.53 0.00 0.00 176.83 176.97 1xf9 h LEU 558 N 0.53 0.86 -1.36 2.23 5.85 0.83 -2.63 115.31 121.61 1xf9 h LEU 558 Ca 0.24 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1xf9 h LEU 558 Cb 0.15 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1xf9 h LEU 558 CO -0.17 0.86 0.25 0.00 -0.34 0.00 0.00 178.44 179.05 1xf9 h ALA 559 N 1.03 1.51 -0.43 1.25 0.00 0.13 -0.51 119.26 122.24 1xf9 h ALA 559 Ca 0.18 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1xf9 h ALA 559 Cb 0.33 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1xf9 h ALA 559 CO -0.00 0.40 0.11 -0.09 0.00 0.00 0.00 179.25 179.67 1xf9 h ARG 560 N 0.69 0.68 -0.29 0.00 2.43 -0.62 0.89 114.38 118.17 1xf9 h ARG 560 Ca 0.18 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1xf9 h ARG 560 Cb 0.05 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1xf9 h ARG 560 CO -0.03 0.69 -0.04 0.00 -1.51 0.00 0.00 179.97 179.08 1xf9 h ALA 561 N 0.97 0.39 -0.65 2.80 0.00 -1.21 -2.99 119.26 118.56 1xf9 h ALA 561 Ca 0.14 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1xf9 h ALA 561 Cb 0.30 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1xf9 h ALA 561 CO -0.00 0.17 0.23 0.28 0.00 0.00 0.00 179.25 179.94 1xf9 h VAL 562 N 0.30 1.24 0.00 0.00 2.07 -0.96 -2.79 116.25 116.11 1xf9 h VAL 562 Ca 0.08 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 1xf9 h VAL 562 Cb 0.49 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1xf9 h VAL 562 CO 0.02 0.31 -0.09 0.22 0.02 0.00 0.00 177.57 178.05 1xf9 h TYR 563 N 0.93 0.00 -3.11 1.57 3.20 -0.78 -3.42 116.97 115.36 1xf9 h TYR 563 Ca 0.21 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 61.55 1xf9 h TYR 563 Cb 0.25 0.00 0.02 0.00 1.54 0.00 0.00 36.73 38.54 1xf9 h TYR 563 CO 0.02 0.09 0.66 0.21 -1.64 0.00 0.00 178.16 177.50 1xf9 s LYS 564 N -4.48 4.37 -0.31 1.82 2.20 -1.05 -4.96 119.74 117.33 1xf9 s LYS 564 Ca -0.04 1.96 -0.28 0.00 -0.36 0.00 0.00 55.97 57.25 1xf9 s LYS 564 Cb 0.15 -3.28 0.01 0.00 -1.51 0.00 0.00 37.83 33.20 1xf9 s LYS 564 CO 0.61 -0.35 1.03 0.34 -0.36 0.00 0.00 175.35 176.61 1xf9 s ASP 565 N 1.01 6.91 0.31 1.43 2.15 -1.26 -4.97 116.67 122.25 1xf9 s ASP 565 Ca 0.62 1.03 0.05 0.00 0.43 0.00 0.00 52.55 54.67 1xf9 s ASP 565 Cb -0.34 -2.52 -0.03 0.00 -0.30 0.00 0.00 42.92 39.73 1xf9 s ASP 565 CO 0.31 -0.82 0.27 0.00 -0.17 0.00 0.00 175.17 174.76 1xf9 s ALA 566 N 3.49 1.62 -0.18 3.66 0.00 -1.26 -4.94 121.76 124.16 1xf9 s ALA 566 Ca 0.43 -1.95 0.18 0.00 0.00 0.00 0.00 51.96 50.62 1xf9 s ALA 566 Cb -0.13 1.43 -0.25 0.00 0.00 0.00 0.00 23.12 24.18 1xf9 s ALA 566 CO 0.14 -0.66 0.11 -0.25 0.00 0.00 0.00 175.76 175.09 1xf9 n ASP 567 N -1.30 0.19 -3.86 0.00 8.00 -0.26 -4.93 116.55 114.39 1xf9 n ASP 567 Ca 0.06 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.35 1xf9 n ASP 567 Cb 0.63 1.07 -0.17 0.00 -0.02 0.00 0.00 41.12 42.64 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 -5.34 1.15 -0.12 0.64 2.96 -1.09 -3.48 118.68 113.40 1xf9 s LEU 568 Ca -0.09 -0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 53.68 1xf9 s LEU 568 Cb 0.07 -0.44 -0.03 0.00 0.50 0.00 0.00 46.19 46.29 1xf9 s LEU 568 CO 0.81 -0.09 -0.06 -0.31 -1.32 0.00 0.00 176.35 175.38 1xf9 s TYR 569 N 1.18 2.98 -0.33 5.38 1.51 -0.55 -1.00 117.35 126.52 1xf9 s TYR 569 Ca -0.07 -0.19 0.00 0.00 -1.01 0.00 0.00 57.07 55.80 1xf9 s TYR 569 Cb -0.14 -1.85 0.08 0.00 -0.11 0.00 0.00 41.96 39.94 1xf9 s TYR 569 CO -0.01 0.10 0.05 -0.51 -1.11 0.00 0.00 175.55 174.07 1xf9 s LEU 570 N -0.13 4.40 -0.46 -1.29 1.43 0.10 -0.96 118.68 121.79 1xf9 s LEU 570 Ca 0.02 -1.72 -0.10 0.00 -1.03 0.00 0.00 54.13 51.29 1xf9 s LEU 570 Cb -0.13 -1.69 0.10 0.00 0.03 0.00 0.00 46.19 44.50 1xf9 s LEU 570 CO 0.03 -0.35 0.33 -0.76 0.23 0.00 0.00 176.35 175.82 1xf9 s LEU 571 N 1.11 5.52 -0.47 1.79 1.43 -0.05 0.29 118.68 128.29 1xf9 s LEU 571 Ca 0.02 -1.67 -0.22 0.00 -1.03 0.00 0.00 54.13 51.23 1xf9 s LEU 571 Cb -0.20 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.01 1xf9 s LEU 571 CO -0.04 -0.64 0.74 -0.62 0.23 0.00 0.00 176.35 176.01 1xf9 s ASP 572 N 2.53 6.34 -1.55 2.29 -1.08 0.97 -1.45 116.67 124.71 1xf9 s ASP 572 Ca 0.04 -0.36 -0.04 0.00 -0.52 0.00 0.00 52.55 51.67 1xf9 s ASP 572 Cb -0.25 -2.36 0.04 0.00 -1.46 0.00 0.00 42.92 38.89 1xf9 s ASP 572 CO 0.02 -0.92 0.29 -1.20 0.52 0.00 0.00 175.17 173.87 1xf9 n SER 573 N 6.60 -0.21 0.23 -0.34 7.64 -0.93 -3.42 113.62 123.19 1xf9 n SER 573 Ca -0.01 -1.15 0.10 0.00 1.01 0.00 0.00 58.87 58.82 1xf9 n SER 573 Cb 0.47 -2.22 0.54 0.00 -1.01 0.00 0.00 64.21 62.00 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 -1.68 0.00 -3.72 1.43 0.13 -1.81 -3.37 132.00 122.97 1xf9 h PRO 574 Ca -0.64 0.00 -0.79 0.00 -0.87 0.00 0.00 66.00 63.71 1xf9 h PRO 574 Cb 1.39 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.27 1xf9 h PRO 574 CO 0.71 0.22 0.77 1.19 -0.23 0.00 0.00 178.00 180.65 1xf9 n PHE 575 N -3.58 4.71 -2.48 1.56 3.72 -1.26 -4.71 117.46 115.41 1xf9 n PHE 575 Ca -0.01 -3.57 0.01 0.00 -0.05 0.00 0.00 57.45 53.83 1xf9 n PHE 575 Cb 0.36 -1.76 0.01 0.00 -0.94 0.00 0.00 39.48 37.15 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 2.79 1.11 3.76 1.37 0.00 -1.26 -4.85 105.19 108.11 1xf9 n GLY 576 Ca 0.28 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.68 1.99 0.27 1.61 2.02 -1.26 -4.52 117.35 116.79 1xf9 s TYR 577 Ca 0.25 -0.86 -0.02 0.00 -0.37 0.00 0.00 57.07 56.07 1xf9 s TYR 577 Cb 0.31 -1.72 0.37 0.00 -0.40 0.00 0.00 41.96 40.52 1xf9 s TYR 577 CO -0.11 0.15 1.83 -0.07 -1.57 0.00 0.00 175.55 175.77 1xf9 h LEU 578 N 1.32 0.84 -5.19 -1.29 3.38 -1.99 -3.32 115.31 109.06 1xf9 h LEU 578 Ca -0.43 -0.14 -0.28 0.00 0.09 0.00 0.00 57.88 57.13 1xf9 h LEU 578 Cb 1.30 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1xf9 h LEU 578 CO 0.72 0.79 1.78 -0.90 0.09 0.00 0.00 178.44 180.93 1xf9 n ASP 579 N -4.28 4.04 -0.06 -0.43 5.75 -1.26 -4.62 116.55 115.69 1xf9 n ASP 579 Ca 0.05 -2.21 0.25 0.00 -0.01 0.00 0.00 54.79 52.86 1xf9 n ASP 579 Cb 0.21 -0.96 0.68 0.00 -1.03 0.00 0.00 41.12 40.02 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 3.19 0.30 0.15 2.12 -1.51 -1.97 -1.24 116.25 117.29 1xf9 h VAL 580 Ca 0.35 0.00 -0.29 0.00 -1.23 0.00 0.00 66.70 65.53 1xf9 h VAL 580 Cb 0.33 0.46 0.02 0.00 -2.13 0.00 0.00 31.29 29.98 1xf9 h VAL 580 CO 1.11 0.00 -1.28 -0.26 -1.23 0.00 0.00 177.57 175.91 1xf9 h PHE 581 N 0.00 0.81 -0.68 5.19 0.04 -1.94 -2.77 116.94 117.59 1xf9 h PHE 581 Ca 0.34 -0.55 -0.06 0.00 2.80 0.00 0.00 57.97 60.50 1xf9 h PHE 581 Cb 1.72 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 39.79 1xf9 h PHE 581 CO 0.00 1.41 0.19 1.15 -0.60 0.00 0.00 178.31 180.46 1xf9 h THR 582 N 0.18 1.25 -0.63 -1.55 2.02 -1.64 -2.39 112.91 110.15 1xf9 h THR 582 Ca -0.18 -0.90 -0.03 0.00 0.77 0.00 0.00 66.41 66.07 1xf9 h THR 582 Cb 1.97 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.87 1xf9 h THR 582 CO 0.23 0.35 0.28 -0.33 0.37 0.00 0.00 175.52 176.42 1xf9 h GLU 583 N 1.01 0.91 -0.55 6.66 5.08 -1.39 0.68 114.58 126.98 1xf9 h GLU 583 Ca 0.22 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1xf9 h GLU 583 Cb 0.32 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1xf9 h GLU 583 CO -0.00 0.72 0.07 0.93 -1.00 0.00 0.00 179.01 179.73 1xf9 h GLU 584 N 0.90 0.93 -0.06 2.33 5.08 -1.16 -1.22 114.58 121.37 1xf9 h GLU 584 Ca 0.22 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1xf9 h GLU 584 Cb 0.13 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1xf9 h GLU 584 CO -0.02 0.90 0.02 1.96 -1.00 0.00 0.00 179.01 180.87 1xf9 h GLN 585 N 0.82 0.10 -0.90 2.33 4.20 -0.90 -2.49 115.11 118.25 1xf9 h GLN 585 Ca 0.17 -0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.95 1xf9 h GLN 585 Cb 0.43 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.12 1xf9 h GLN 585 CO 0.01 0.25 0.54 0.28 -0.67 0.00 0.00 178.83 179.25 1xf9 h VAL 586 N -0.07 0.94 -0.16 -0.54 2.07 -0.72 0.97 116.25 118.74 1xf9 h VAL 586 Ca 0.02 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 1xf9 h VAL 586 Cb 0.19 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1xf9 h VAL 586 CO -0.00 0.17 -0.31 0.15 0.02 0.00 0.00 177.57 177.60 1xf9 h PHE 587 N 0.91 0.35 0.13 1.57 3.57 -1.11 -0.61 116.94 121.76 1xf9 h PHE 587 Ca 0.43 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 1xf9 h PHE 587 Cb 0.37 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1xf9 h PHE 587 CO -0.03 0.59 -0.06 1.49 -2.23 0.00 0.00 178.31 178.06 1xf9 h GLU 588 N 0.27 -0.17 -0.06 1.11 4.81 -0.85 -1.20 114.58 118.49 1xf9 h GLU 588 Ca 0.04 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1xf9 h GLU 588 Cb 0.68 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 1xf9 h GLU 588 CO 0.05 0.14 0.03 0.77 -0.73 0.00 0.00 179.01 179.27 1xf9 h SER 589 N -0.99 0.08 0.00 1.04 0.02 -0.89 -1.01 113.55 111.81 1xf9 h SER 589 Ca -0.02 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1xf9 h SER 589 Cb 0.40 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1xf9 h SER 589 CO 0.03 0.18 -0.20 0.00 -1.14 0.00 0.00 176.83 175.70 1xf9 h VAL 591 N -0.56 1.21 0.19 0.00 2.07 -1.49 -1.56 116.25 116.11 1xf9 h VAL 591 Ca 0.00 -0.65 -0.30 0.00 0.82 0.00 0.00 66.70 66.57 1xf9 h VAL 591 Cb 0.20 0.68 0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1xf9 h VAL 591 CO 0.00 0.25 -1.40 0.00 0.02 0.00 0.00 177.57 176.43 1xf9 n LYS 593 N -3.81 0.00 -0.25 0.00 5.02 -0.39 -3.56 118.16 115.16 1xf9 n LYS 593 Ca -0.20 0.06 0.25 0.00 -2.02 0.00 0.00 58.31 56.41 1xf9 n LYS 593 Cb 1.00 -0.38 0.61 0.00 -0.02 0.00 0.00 35.03 36.24 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 0.24 -3.15 -0.35 5.85 -1.15 0.43 115.31 117.18 1xf9 h LEU 594 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1xf9 h LEU 594 Cb 0.00 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1xf9 h LEU 594 CO 0.00 0.07 0.00 0.23 -0.34 0.00 0.00 178.44 178.40 1xf9 n MET 595 N -4.42 3.61 -0.29 1.25 2.81 -0.59 -4.69 117.12 114.80 1xf9 n MET 595 Ca 0.21 -2.81 0.30 0.00 -1.81 0.00 0.00 57.70 53.59 1xf9 n MET 595 Cb 0.90 -1.84 0.68 0.00 -0.71 0.00 0.00 33.22 32.25 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 3.58 2.80 -0.09 3.04 0.00 -0.95 -1.26 119.26 126.38 1xf9 h ALA 596 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xf9 h ALA 596 Cb 1.40 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1xf9 h ALA 596 CO 0.22 -1.14 0.00 0.09 0.00 0.00 0.00 179.25 178.42 1xf9 n ASN 597 N -4.33 2.78 -4.75 0.00 3.02 -1.26 -4.73 115.26 105.99 1xf9 n ASN 597 Ca 0.24 -1.85 -0.38 0.00 -0.03 0.00 0.00 54.58 52.55 1xf9 n ASN 597 Cb 1.07 -0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 40.13 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 -1.59 4.26 0.04 3.52 -0.14 -0.48 -3.42 119.74 121.94 1xf9 s LYS 598 Ca 0.25 0.52 -0.30 0.00 -1.36 0.00 0.00 55.97 55.08 1xf9 s LYS 598 Cb 0.17 -3.37 -0.07 0.00 -1.68 0.00 0.00 37.83 32.88 1xf9 s LYS 598 CO 0.25 0.31 1.51 0.99 -0.76 0.00 0.00 175.35 177.66 1xf9 s THR 599 N 0.10 3.37 -0.02 2.17 2.01 -1.25 -4.33 115.64 117.69 1xf9 s THR 599 Ca 0.27 0.81 -0.07 0.00 0.31 0.00 0.00 61.69 63.01 1xf9 s THR 599 Cb -0.16 -3.52 0.01 0.00 0.01 0.00 0.00 72.50 68.84 1xf9 s THR 599 CO 0.13 0.00 0.15 0.00 -0.69 0.00 0.00 174.62 174.21 1xf9 s ARG 600 N 2.40 0.39 -0.15 4.92 1.70 -0.39 -1.49 118.95 126.34 1xf9 s ARG 600 Ca 0.68 -0.19 0.02 0.00 -0.47 0.00 0.00 55.73 55.78 1xf9 s ARG 600 Cb -0.36 0.17 0.01 0.00 -0.57 0.00 0.00 34.95 34.20 1xf9 s ARG 600 CO 0.29 -0.09 -0.22 0.42 -1.08 0.00 0.00 175.30 174.63 1xf9 s ILE 601 N -0.90 2.07 -0.18 4.99 1.01 -0.13 -0.02 121.20 128.04 1xf9 s ILE 601 Ca -0.10 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.58 1xf9 s ILE 601 Cb -0.05 -1.83 0.01 0.00 0.01 0.00 0.00 42.46 40.60 1xf9 s ILE 601 CO 0.01 0.55 -0.17 -0.22 0.00 0.00 0.00 174.94 175.11 1xf9 s LEU 602 N 0.90 2.29 -0.15 2.97 2.96 0.79 -0.87 118.68 127.56 1xf9 s LEU 602 Ca -0.05 -0.59 -0.24 0.00 -0.22 0.00 0.00 54.13 53.04 1xf9 s LEU 602 Cb -0.15 -1.53 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 1xf9 s LEU 602 CO -0.04 0.01 0.75 -0.69 -1.32 0.00 0.00 176.35 175.07 1xf9 s VAL 603 N 1.23 4.95 0.13 1.68 1.01 -0.53 -0.60 120.40 128.28 1xf9 s VAL 603 Ca 0.03 1.48 -0.11 0.00 0.00 0.00 0.00 61.98 63.38 1xf9 s VAL 603 Cb -0.14 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1xf9 s VAL 603 CO -0.09 0.10 0.29 0.28 0.00 0.00 0.00 175.10 175.68 1xf9 s THR 604 N 1.80 0.09 -0.09 3.92 -1.32 0.56 -2.18 115.64 118.42 1xf9 s THR 604 Ca 0.36 -1.14 0.14 0.00 -1.21 0.00 0.00 61.69 59.84 1xf9 s THR 604 Cb -0.17 -1.54 0.29 0.00 -1.51 0.00 0.00 72.50 69.58 1xf9 s THR 604 CO 0.13 -0.41 1.14 -1.54 -2.21 0.00 0.00 174.62 171.73 1xf9 n SER 605 N -0.17 1.32 -4.40 8.08 3.41 -1.26 -4.20 113.62 116.39 1xf9 n SER 605 Ca -0.12 -2.80 -0.33 0.00 -0.26 0.00 0.00 58.87 55.36 1xf9 n SER 605 Cb 0.63 -0.37 -0.14 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.63 3.24 0.28 4.33 1.02 -1.26 -4.81 119.74 120.90 1xf9 s LYS 606 Ca 0.27 -0.67 0.05 0.00 0.02 0.00 0.00 55.97 55.64 1xf9 s LYS 606 Cb 0.27 -2.61 0.40 0.00 -0.52 0.00 0.00 37.83 35.37 1xf9 s LYS 606 CO -0.05 0.30 1.67 0.52 -0.92 0.00 0.00 175.35 176.87 1xf9 h MET 607 N 6.43 0.29 -0.93 1.68 2.86 -1.95 -2.97 114.93 120.34 1xf9 h MET 607 Ca -0.30 -0.15 0.14 0.00 -2.06 0.00 0.00 59.70 57.33 1xf9 h MET 607 Cb 1.20 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.77 1xf9 h MET 607 CO 0.55 0.67 0.54 1.49 1.06 0.00 0.00 176.91 181.22 1xf9 h GLU 608 N 0.24 0.77 -0.32 1.72 4.57 -1.99 0.53 114.58 120.11 1xf9 h GLU 608 Ca 0.02 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.10 1xf9 h GLU 608 Cb 0.85 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 1xf9 h GLU 608 CO 0.07 0.51 -0.02 0.45 -1.18 0.00 0.00 179.01 178.84 1xf9 h HIS 609 N 0.80 0.51 -0.25 0.92 3.86 -1.95 -1.06 115.15 117.98 1xf9 h HIS 609 Ca 0.49 -0.05 -0.16 0.00 -1.16 0.00 0.00 60.37 59.48 1xf9 h HIS 609 Cb 0.61 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 1xf9 h HIS 609 CO -0.04 0.52 -0.50 -0.07 0.86 0.00 0.00 177.93 178.71 1xf9 h LEU 610 N 0.47 0.76 -0.94 2.43 4.07 -0.97 -2.44 115.31 118.69 1xf9 h LEU 610 Ca 0.10 -0.39 -0.09 0.00 0.08 0.00 0.00 57.88 57.59 1xf9 h LEU 610 Cb 0.35 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 1xf9 h LEU 610 CO 0.01 1.13 -0.16 -0.09 -1.08 0.00 0.00 178.44 178.25 1xf9 h ARG 611 N 0.55 0.59 0.00 1.13 2.43 -0.60 -3.00 114.38 115.48 1xf9 h ARG 611 Ca 0.02 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1xf9 h ARG 611 Cb 1.06 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1xf9 h ARG 611 CO 0.10 0.73 -0.52 1.63 -1.51 0.00 0.00 179.97 180.40 1xf9 n LYS 612 N -4.16 0.15 -1.45 0.20 4.76 -0.46 -4.92 118.16 112.28 1xf9 n LYS 612 Ca 0.01 0.05 -0.30 0.00 -2.87 0.00 0.00 58.31 55.19 1xf9 n LYS 612 Cb 0.37 -1.60 0.09 0.00 -1.84 0.00 0.00 35.03 32.05 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 -3.09 2.19 -0.05 7.82 0.00 -0.92 -4.98 121.76 122.73 1xf9 s ALA 613 Ca 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 51.96 51.95 1xf9 s ALA 613 Cb 0.15 -3.16 -0.27 0.00 0.00 0.00 0.00 23.12 19.85 1xf9 s ALA 613 CO 0.70 -1.77 0.65 -0.44 0.00 0.00 0.00 175.76 174.90 1xf9 h ASP 614 N -1.12 0.37 -4.82 0.00 3.32 -1.59 -3.45 116.42 109.14 1xf9 h ASP 614 Ca -0.46 -0.64 -0.22 0.00 0.02 0.00 0.00 57.03 55.72 1xf9 h ASP 614 Cb 1.26 -0.12 -0.18 0.00 0.22 0.00 0.00 39.33 40.50 1xf9 h ASP 614 CO 0.57 1.56 -0.71 -0.54 -1.72 0.00 0.00 179.24 178.40 1xf9 s LYS 615 N -2.59 0.59 -0.00 3.56 -0.14 -1.01 -4.68 119.74 115.47 1xf9 s LYS 615 Ca -0.13 -0.97 0.03 0.00 -1.36 0.00 0.00 55.97 53.53 1xf9 s LYS 615 Cb 0.07 -0.13 -0.01 0.00 -1.68 0.00 0.00 37.83 36.08 1xf9 s LYS 615 CO 0.82 -0.01 -0.09 0.42 -0.76 0.00 0.00 175.35 175.74 1xf9 s ILE 616 N -2.43 0.68 -0.07 2.17 1.01 0.81 -1.49 121.20 121.88 1xf9 s ILE 616 Ca -0.02 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.22 1xf9 s ILE 616 Cb -0.03 -0.58 0.03 0.00 0.01 0.00 0.00 42.46 41.89 1xf9 s ILE 616 CO -0.03 0.17 -0.01 -0.22 0.00 0.00 0.00 174.94 174.85 1xf9 s LEU 617 N -0.27 0.71 -0.23 2.97 2.96 -0.10 -1.89 118.68 122.84 1xf9 s LEU 617 Ca 0.03 -0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 53.79 1xf9 s LEU 617 Cb -0.04 -0.49 0.00 0.00 0.50 0.00 0.00 46.19 46.16 1xf9 s LEU 617 CO -0.00 -0.17 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.17 1xf9 s ILE 618 N 1.87 3.19 0.10 6.68 1.01 -0.17 -1.02 121.20 132.85 1xf9 s ILE 618 Ca 0.04 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.06 1xf9 s ILE 618 Cb -0.12 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 1xf9 s ILE 618 CO -0.05 0.37 0.16 -0.76 0.00 0.00 0.00 174.94 174.65 1xf9 s LEU 619 N 1.43 4.03 -0.25 2.97 1.43 0.08 0.04 118.68 128.41 1xf9 s LEU 619 Ca 0.04 0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 53.13 1xf9 s LEU 619 Cb -0.15 -2.65 0.11 0.00 0.03 0.00 0.00 46.19 43.53 1xf9 s LEU 619 CO -0.04 0.13 0.53 -2.28 0.23 0.00 0.00 176.35 174.92 1xf9 s HIS 620 N -1.55 -1.07 -1.30 0.29 2.46 0.07 -1.93 115.29 112.26 1xf9 s HIS 620 Ca 0.32 1.89 -0.04 0.00 0.47 0.00 0.00 55.06 57.70 1xf9 s HIS 620 Cb -0.12 0.54 0.01 0.00 -0.13 0.00 0.00 32.58 32.88 1xf9 s HIS 620 CO 0.25 -0.58 0.98 0.94 -2.47 0.00 0.00 174.74 173.85 1xf9 n GLN 621 N 5.42 -6.44 -1.19 2.88 -0.06 -1.26 -1.37 117.38 115.36 1xf9 n GLN 621 Ca -0.10 0.76 -0.06 0.00 -2.00 0.00 0.00 57.00 55.60 1xf9 n GLN 621 Cb 0.49 -5.67 -0.03 0.00 -4.06 0.00 0.00 30.24 20.97 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 -1.51 0.68 3.46 1.69 0.00 -0.17 -4.91 105.19 104.43 1xf9 n GLY 622 Ca -0.18 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.29 3.58 -0.76 1.61 0.15 -0.47 -0.82 113.70 114.70 1xf9 s SER 623 Ca 0.00 -0.90 -0.24 0.00 0.70 0.00 0.00 55.95 55.51 1xf9 s SER 623 Cb 0.00 -0.32 0.06 0.00 -1.71 0.00 0.00 66.02 64.04 1xf9 s SER 623 CO 0.00 0.09 1.17 -0.55 1.20 0.00 0.00 173.24 175.15 1xf9 s SER 624 N -3.01 6.25 0.35 5.45 0.15 -1.26 -0.75 113.70 120.87 1xf9 s SER 624 Ca 0.25 -0.91 0.13 0.00 0.70 0.00 0.00 55.95 56.11 1xf9 s SER 624 Cb -0.07 -2.50 0.64 0.00 -1.71 0.00 0.00 66.02 62.38 1xf9 s SER 624 CO 0.12 -1.59 1.77 0.22 1.20 0.00 0.00 173.24 174.97 1xf9 h TYR 625 N 9.73 0.00 -1.62 3.44 3.20 -0.70 -3.46 116.97 127.56 1xf9 h TYR 625 Ca -0.19 0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.74 1xf9 h TYR 625 Cb 1.05 0.00 -0.25 0.00 1.54 0.00 0.00 36.73 39.07 1xf9 h TYR 625 CO 1.09 0.43 0.46 0.12 -1.64 0.00 0.00 178.16 178.62 1xf9 s PHE 626 N -4.00 -0.47 -0.11 -3.82 2.19 -1.03 -4.97 117.98 105.77 1xf9 s PHE 626 Ca -0.02 1.05 -0.04 0.00 0.33 0.00 0.00 56.93 58.25 1xf9 s PHE 626 Cb 0.14 0.38 0.06 0.00 -1.31 0.00 0.00 43.02 42.29 1xf9 s PHE 626 CO 0.73 -0.28 0.20 -0.47 1.83 0.00 0.00 175.22 177.23 1xf9 s TYR 627 N -0.16 -0.26 -3.42 10.12 5.04 -1.26 -1.00 117.35 126.42 1xf9 s TYR 627 Ca 0.01 0.67 0.00 0.00 -2.44 0.00 0.00 57.07 55.31 1xf9 s TYR 627 Cb -0.04 -0.21 0.00 0.00 0.35 0.00 0.00 41.96 42.06 1xf9 s TYR 627 CO -0.03 -0.33 0.00 0.41 -1.34 0.00 0.00 175.55 174.25 1xf9 n GLY 628 N 5.33 -0.54 3.95 8.97 0.00 -0.79 -4.98 105.19 117.13 1xf9 n GLY 628 Ca -0.05 -0.86 -0.23 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.28 2.74 0.37 2.61 -4.23 -1.26 -0.13 115.64 112.46 1xf9 s THR 629 Ca 0.00 -0.45 0.09 0.00 -1.18 0.00 0.00 61.69 60.15 1xf9 s THR 629 Cb 0.00 -3.09 0.13 0.00 1.34 0.00 0.00 72.50 70.89 1xf9 s THR 629 CO 0.00 -0.07 1.87 0.15 -0.54 0.00 0.00 174.62 176.03 1xf9 h PHE 630 N -0.16 0.23 -0.17 3.99 3.57 -1.86 -1.65 116.94 120.89 1xf9 h PHE 630 Ca -0.44 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 60.99 1xf9 h PHE 630 Cb 1.30 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.97 1xf9 h PHE 630 CO 0.37 0.41 -0.07 1.03 -2.23 0.00 0.00 178.31 177.82 1xf9 h SER 631 N 0.20 0.35 0.09 0.41 0.87 -1.95 -2.82 113.55 110.71 1xf9 h SER 631 Ca 0.04 -0.40 -0.01 0.00 -1.23 0.00 0.00 61.79 60.18 1xf9 h SER 631 Cb 0.47 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1xf9 h SER 631 CO 0.03 0.68 -0.06 -0.33 -0.53 0.00 0.00 176.83 176.62 1xf9 h GLU 632 N 0.02 0.00 -0.46 2.24 5.08 -1.86 -2.50 114.58 117.11 1xf9 h GLU 632 Ca 0.04 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 1xf9 h GLU 632 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1xf9 h GLU 632 CO 0.02 0.06 -0.14 1.25 -1.00 0.00 0.00 179.01 179.20 1xf9 h LEU 633 N 0.00 0.92 -0.50 1.33 5.85 -1.07 0.14 115.31 121.98 1xf9 h LEU 633 Ca -0.00 -0.37 -0.06 0.00 0.84 0.00 0.00 57.88 58.29 1xf9 h LEU 633 Cb 0.12 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1xf9 h LEU 633 CO 0.01 1.08 0.08 1.56 -0.34 0.00 0.00 178.44 180.82 1xf9 h GLN 634 N 0.75 0.83 0.16 1.25 4.20 -1.25 -1.47 115.11 119.58 1xf9 h GLN 634 Ca 0.11 -0.23 -0.33 0.00 0.06 0.00 0.00 58.65 58.27 1xf9 h GLN 634 Cb 0.69 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1xf9 h GLN 634 CO 0.05 0.83 -1.60 0.66 -0.67 0.00 0.00 178.83 178.10 1xf9 h SER 635 N 0.71 0.52 0.41 1.46 4.64 -1.53 -2.98 113.55 116.77 1xf9 h SER 635 Ca 0.15 -0.72 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 1xf9 h SER 635 Cb 0.40 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1xf9 h SER 635 CO 0.01 1.60 -0.21 0.18 -0.87 0.00 0.00 176.83 177.53 1xf9 n LEU 636 N -3.53 0.60 -2.73 5.97 4.77 0.50 -4.18 117.00 118.40 1xf9 n LEU 636 Ca -0.19 -0.03 -0.09 0.00 -0.03 0.00 0.00 56.01 55.67 1xf9 n LEU 636 Cb 1.06 -0.21 0.06 0.00 -2.33 0.00 0.00 43.42 42.01 1xf9 n LEU 636 CO 0.52 0.12 0.13 0.54 -1.33 0.00 0.00 177.39 177.36 1xf9 n ARG 637 N -1.01 1.14 -0.11 3.23 5.12 -0.55 -4.98 116.66 119.50 1xf9 n ARG 637 Ca 0.11 -2.66 0.14 0.00 -1.93 0.00 0.00 57.85 53.52 1xf9 n ARG 637 Cb 0.31 -0.84 0.52 0.00 -1.16 0.00 0.00 32.46 31.30 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 2.64 0.36 0.49 5.56 0.13 -1.64 0.22 132.00 139.76 1xf9 h PRO 638 Ca -0.15 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.94 1xf9 h PRO 638 Cb 1.20 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1xf9 h PRO 638 CO 0.27 0.24 -0.25 -0.44 -0.23 0.00 0.00 178.00 177.59 1xf9 h ASP 639 N 0.37 -0.59 0.50 1.44 3.32 -1.92 0.65 116.42 120.18 1xf9 h ASP 639 Ca 0.32 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.37 1xf9 h ASP 639 Cb 0.73 0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1xf9 h ASP 639 CO -0.09 -0.42 -0.24 0.15 -1.72 0.00 0.00 179.24 176.93 1xf9 h PHE 640 N -0.68 -0.62 -0.43 4.55 3.04 -1.80 -2.83 116.94 118.18 1xf9 h PHE 640 Ca -0.07 -0.01 0.09 0.00 3.98 0.00 0.00 57.97 61.96 1xf9 h PHE 640 Cb 0.53 0.20 -0.09 0.00 2.56 0.00 0.00 35.95 39.15 1xf9 h PHE 640 CO -0.05 -0.34 -0.24 0.77 -2.02 0.00 0.00 178.31 176.43 1xf9 h SER 641 N -0.76 -0.81 -0.67 0.41 0.02 -0.48 -2.29 113.55 108.97 1xf9 h SER 641 Ca -0.07 0.17 0.06 0.00 -0.84 0.00 0.00 61.79 61.12 1xf9 h SER 641 Cb 0.55 0.42 -0.06 0.00 0.14 0.00 0.00 62.40 63.45 1xf9 h SER 641 CO 0.11 -0.26 0.37 -1.28 -1.14 0.00 0.00 176.83 174.63 1xf9 h SER 642 N -0.16 0.55 -0.20 3.07 0.87 0.34 -0.84 113.55 117.18 1xf9 h SER 642 Ca 0.20 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 1xf9 h SER 642 Cb 0.47 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1xf9 h SER 642 CO -0.52 0.35 0.06 0.50 -0.53 0.00 0.00 176.83 176.69 1xf9 h LYS 643 N 0.68 0.30 -0.00 2.24 1.63 -1.18 -0.24 116.57 120.00 1xf9 h LYS 643 Ca 0.30 -0.07 -0.18 0.00 -0.85 0.00 0.00 60.65 59.86 1xf9 h LYS 643 Cb 0.20 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 1xf9 h LYS 643 CO -0.19 0.41 -0.81 -0.07 -3.45 0.00 0.00 179.45 175.33 1xf9 h LEU 644 N 0.14 0.08 0.00 5.20 4.07 -1.30 -3.00 115.31 120.50 1xf9 h LEU 644 Ca 0.06 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1xf9 h LEU 644 Cb 0.23 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1xf9 h LEU 644 CO -0.00 0.86 -0.04 0.24 -1.08 0.00 0.00 178.44 178.41 1xf9 h MET 645 N 0.04 0.00 0.00 1.13 2.86 -1.16 -3.26 114.93 114.53 1xf9 h MET 645 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1xf9 h MET 645 Cb 1.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.08 1xf9 h MET 645 CO 0.11 0.00 0.00 0.78 1.06 0.00 0.00 176.91 178.86 1xf9 h GLY 646 N 4.15 0.00 -2.36 8.32 0.00 -0.88 -3.43 103.07 108.87 1xf9 h GLY 646 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 1xf9 h GLY 646 CO 0.00 0.00 0.20 -0.19 0.00 0.00 0.00 176.54 176.55 1xf9 s TYR 647 N -3.76 3.42 -0.09 5.60 1.51 -1.23 -5.01 117.35 117.79 1xf9 s TYR 647 Ca -0.02 1.25 -0.24 0.00 -1.01 0.00 0.00 57.07 57.05 1xf9 s TYR 647 Cb 0.10 -2.59 -0.29 0.00 -0.11 0.00 0.00 41.96 39.06 1xf9 s TYR 647 CO 0.37 -0.12 0.80 -0.44 -1.11 0.00 0.00 175.55 175.05 1xf9 h ASP 648 N 1.51 0.28 -1.75 2.29 3.32 -1.92 -3.40 116.42 116.74 1xf9 h ASP 648 Ca -0.47 -0.95 -0.50 0.00 0.02 0.00 0.00 57.03 55.13 1xf9 h ASP 648 Cb 1.18 -0.09 -0.41 0.00 0.22 0.00 0.00 39.33 40.23 1xf9 h ASP 648 CO 0.63 1.27 -0.99 0.35 -1.72 0.00 0.00 179.24 178.79 1xf9 n THR 649 N -4.30 1.31 -0.13 0.35 -2.24 -1.26 -4.93 114.28 103.09 1xf9 n THR 649 Ca -0.14 -4.52 -0.04 0.00 -2.27 0.00 0.00 64.05 57.08 1xf9 n THR 649 Cb 0.70 -0.48 0.04 0.00 -2.10 0.00 0.00 70.33 68.49 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 2.93 0.02 0.00 4.78 3.57 -1.91 -2.30 116.94 124.03 1xf9 h PHE 650 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1xf9 h PHE 650 Cb 0.90 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1xf9 h PHE 650 CO 0.62 -0.06 0.02 -0.25 -2.23 0.00 0.00 178.31 176.41 1xf9 n ASP 651 N -5.17 0.00 -0.47 0.41 8.00 -1.26 -0.93 116.55 117.13 1xf9 n ASP 651 Ca 0.03 0.47 0.09 0.00 0.71 0.00 0.00 54.79 56.10 1xf9 n ASP 651 Cb 0.21 -0.47 0.01 0.00 -0.02 0.00 0.00 41.12 40.85 1xf9 n ASP 651 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xf9 n GLN 652 N -1.47 1.53 -0.99 -1.24 6.02 -0.87 -4.94 117.38 115.42 1xf9 n GLN 652 Ca 0.00 -0.99 -0.30 0.00 -0.01 0.00 0.00 57.00 55.70 1xf9 n GLN 652 Cb 0.02 -1.36 0.15 0.00 1.02 0.00 0.00 30.24 30.07 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 -2.07 2.06 0.82 1.08 0.08 -0.10 -4.98 117.98 114.87 1xf9 s PHE 653 Ca 0.16 1.48 -0.11 0.00 0.12 0.00 0.00 56.93 58.59 1xf9 s PHE 653 Cb 0.15 -3.18 0.09 0.00 -0.57 0.00 0.00 43.02 39.51 1xf9 s PHE 653 CO 0.44 -2.55 1.10 0.95 -0.10 0.00 0.00 175.22 175.06 1xf9 s THR 654 N -2.78 3.00 0.22 0.64 -4.23 -1.26 -4.77 115.64 106.46 1xf9 s THR 654 Ca 0.64 0.33 -0.08 0.00 -1.18 0.00 0.00 61.69 61.40 1xf9 s THR 654 Cb -0.20 -2.74 0.18 0.00 1.34 0.00 0.00 72.50 71.08 1xf9 s THR 654 CO 0.58 -0.43 1.70 -0.08 -0.54 0.00 0.00 174.62 175.86 1xf9 h GLU 655 N -1.34 0.27 -0.70 3.99 4.22 -1.90 -1.53 114.58 117.60 1xf9 h GLU 655 Ca -0.45 -0.02 -0.04 0.00 0.08 0.00 0.00 59.36 58.93 1xf9 h GLU 655 Cb 1.25 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1xf9 h GLU 655 CO 0.51 0.18 0.27 1.49 -2.18 0.00 0.00 179.01 179.27 1xf9 h GLU 656 N 0.28 1.05 -0.26 1.92 4.81 -1.91 -1.72 114.58 118.76 1xf9 h GLU 656 Ca 0.34 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 1xf9 h GLU 656 Cb 0.53 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1xf9 h GLU 656 CO -0.42 0.87 -0.06 -0.09 -0.73 0.00 0.00 179.01 178.58 1xf9 h ARG 657 N 1.00 0.50 -0.40 1.92 9.65 -1.74 -1.48 114.38 123.82 1xf9 h ARG 657 Ca 0.23 -0.19 0.06 0.00 -1.10 0.00 0.00 59.98 58.99 1xf9 h ARG 657 Cb 0.23 -0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 28.72 1xf9 h ARG 657 CO -0.02 0.71 0.07 0.00 2.80 0.00 0.00 179.97 183.53 1xf9 h ARG 658 N 0.25 0.19 -0.24 0.20 3.08 -1.14 0.14 114.38 116.86 1xf9 h ARG 658 Ca 0.07 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 1xf9 h ARG 658 Cb 0.52 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1xf9 h ARG 658 CO 0.02 0.13 -0.15 0.77 -1.07 0.00 0.00 179.97 179.67 1xf9 h SER 659 N 0.20 0.39 -0.08 7.04 0.02 -1.25 -0.49 113.55 119.37 1xf9 h SER 659 Ca 0.19 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1xf9 h SER 659 Cb 0.24 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 1xf9 h SER 659 CO -0.26 0.58 0.01 -1.28 -1.14 0.00 0.00 176.83 174.73 1xf9 h SER 660 N 0.38 0.14 -0.57 3.07 0.87 -0.15 0.15 113.55 117.43 1xf9 h SER 660 Ca 0.07 -0.28 -0.02 0.00 -1.23 0.00 0.00 61.79 60.33 1xf9 h SER 660 Cb 0.50 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 1xf9 h SER 660 CO 0.03 0.38 0.29 0.40 -0.53 0.00 0.00 176.83 177.41 1xf9 h ILE 661 N -0.11 1.20 -0.17 2.23 2.04 -0.59 -1.43 117.51 120.67 1xf9 h ILE 661 Ca 0.03 -0.54 0.01 0.00 1.00 0.00 0.00 64.86 65.35 1xf9 h ILE 661 Cb 0.31 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1xf9 h ILE 661 CO 0.00 0.22 0.08 -0.07 0.00 0.00 0.00 178.15 178.39 1xf9 h LEU 662 N 0.77 0.12 0.42 1.44 3.38 -0.92 -0.41 115.31 120.13 1xf9 h LEU 662 Ca 0.20 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1xf9 h LEU 662 Cb 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1xf9 h LEU 662 CO -0.03 0.10 -0.20 0.74 0.09 0.00 0.00 178.44 179.14 1xf9 h THR 663 N 0.18 0.58 -0.94 0.22 2.02 -0.53 -0.86 112.91 113.58 1xf9 h THR 663 Ca 0.07 -0.01 0.07 0.00 0.77 0.00 0.00 66.41 67.31 1xf9 h THR 663 Cb 0.02 0.59 -0.07 0.00 -1.74 0.00 0.00 68.15 66.95 1xf9 h THR 663 CO -0.05 0.00 0.60 -0.33 0.37 0.00 0.00 175.52 176.11 1xf9 h GLU 664 N -0.57 1.04 -0.50 6.66 5.08 -1.17 0.18 114.58 125.29 1xf9 h GLU 664 Ca -0.06 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 1xf9 h GLU 664 Cb 0.44 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1xf9 h GLU 664 CO 0.10 0.69 0.05 1.15 -1.00 0.00 0.00 179.01 180.00 1xf9 h THR 665 N 1.08 1.24 -0.19 1.13 2.02 -0.86 -1.55 112.91 115.77 1xf9 h THR 665 Ca 0.41 -0.93 -0.19 0.00 0.77 0.00 0.00 66.41 66.47 1xf9 h THR 665 Cb 0.19 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1xf9 h THR 665 CO -0.18 0.33 -0.64 -0.07 0.37 0.00 0.00 175.52 175.33 1xf9 h LEU 666 N 0.76 0.81 -1.32 2.58 3.38 0.23 -1.96 115.31 119.79 1xf9 h LEU 666 Ca 0.16 -0.47 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 1xf9 h LEU 666 Cb 0.39 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1xf9 h LEU 666 CO 0.01 1.24 -0.34 0.03 0.09 0.00 0.00 178.44 179.47 1xf9 h ARG 667 N 0.52 0.00 0.18 1.13 3.08 -0.53 -3.31 114.38 115.45 1xf9 h ARG 667 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1xf9 h ARG 667 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1xf9 h ARG 667 CO 0.13 0.34 -0.09 -0.09 -1.07 0.00 0.00 179.97 179.19 1xf9 h ARG 668 N 0.00 -0.24 -3.08 0.04 2.43 -1.12 -3.37 114.38 109.04 1xf9 h ARG 668 Ca -0.00 0.02 -0.70 0.00 -0.81 0.00 0.00 59.98 58.48 1xf9 h ARG 668 Cb 0.60 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 1xf9 h ARG 668 CO 0.04 -0.16 3.26 1.19 -1.51 0.00 0.00 179.97 182.79 1xf9 n PHE 669 N -4.93 2.66 -0.29 2.20 3.72 -0.75 -5.11 117.46 114.96 1xf9 n PHE 669 Ca -0.03 -2.99 0.00 0.00 -0.05 0.00 0.00 57.45 54.38 1xf9 n PHE 669 Cb 0.10 -2.30 0.00 0.00 -0.94 0.00 0.00 39.48 36.34 1xf9 n PHE 669 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58