#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q3h n GLY 391 N 0.00 2.45 3.09 1.09 0.00 -1.26 -4.45 105.19 106.10 1q3h n GLY 391 Ca 0.00 -1.77 -0.23 0.00 0.00 0.00 0.00 46.02 44.02 1q3h n GLY 391 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1q3h s ILE 392 N 4.32 1.13 -0.06 -0.61 2.07 -0.16 -4.44 121.20 123.45 1q3h s ILE 392 Ca 0.00 -0.57 0.03 0.00 -1.41 0.00 0.00 60.65 58.70 1q3h s ILE 392 Cb 0.00 -0.97 0.01 0.00 0.13 0.00 0.00 42.46 41.63 1q3h s ILE 392 CO 0.00 0.33 -0.15 -0.63 -1.91 0.00 0.00 174.94 172.58 1q3h s ILE 393 N -0.03 1.34 -0.11 2.00 1.01 0.03 -0.34 121.20 125.09 1q3h s ILE 393 Ca -0.01 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.05 1q3h s ILE 393 Cb -0.09 -1.19 0.01 0.00 0.01 0.00 0.00 42.46 41.21 1q3h s ILE 393 CO 0.01 0.40 -0.20 -0.04 0.00 0.00 0.00 174.94 175.11 1q3h s MET 394 N 0.42 2.69 -0.17 2.79 -1.94 0.17 -0.14 119.30 123.12 1q3h s MET 394 Ca -0.12 -0.74 0.00 0.00 -1.71 0.00 0.00 55.69 53.13 1q3h s MET 394 Cb -0.15 -2.15 0.01 0.00 2.01 0.00 0.00 34.83 34.55 1q3h s MET 394 CO 0.04 0.04 -0.17 -1.21 -0.01 0.00 0.00 175.02 173.71 1q3h s GLU 395 N 0.70 3.13 -0.21 2.03 2.02 -0.36 -1.42 118.70 124.60 1q3h s GLU 395 Ca -0.11 -0.78 -0.03 0.00 0.02 0.00 0.00 54.97 54.07 1q3h s GLU 395 Cb -0.16 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.45 1q3h s GLU 395 CO 0.02 -0.08 0.18 -1.71 0.02 0.00 0.00 175.26 173.69 1q3h n ASN 396 N 4.30 -1.42 -4.80 -0.19 2.85 -1.16 -2.29 115.26 112.56 1q3h n ASN 396 Ca -0.20 -0.22 -0.36 0.00 -0.11 0.00 0.00 54.58 53.69 1q3h n ASN 396 Cb 0.51 -0.45 -0.07 0.00 1.24 0.00 0.00 39.78 41.01 1q3h n ASN 396 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1q3h s VAL 397 N -1.77 5.44 -0.04 3.44 1.01 -0.38 -2.77 120.40 125.33 1q3h s VAL 397 Ca 0.03 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.26 1q3h s VAL 397 Cb -0.00 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.94 1q3h s VAL 397 CO 0.26 0.52 -0.05 -0.89 0.00 0.00 0.00 175.10 174.93 1q3h s THR 398 N -0.26 0.53 -0.07 3.92 2.01 -0.98 0.53 115.64 121.31 1q3h s THR 398 Ca 0.12 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 61.98 1q3h s THR 398 Cb -0.12 -0.54 0.02 0.00 0.01 0.00 0.00 72.50 71.88 1q3h s THR 398 CO 0.01 0.21 -0.08 0.00 -0.69 0.00 0.00 174.62 174.07 1q3h s ALA 399 N 0.71 1.06 0.34 7.40 0.00 -0.16 -0.75 121.76 130.36 1q3h s ALA 399 Ca -0.09 -0.31 -0.04 0.00 0.00 0.00 0.00 51.96 51.51 1q3h s ALA 399 Cb -0.13 -0.58 -0.05 0.00 0.00 0.00 0.00 23.12 22.36 1q3h s ALA 399 CO 0.00 -0.04 0.61 -0.06 0.00 0.00 0.00 175.76 176.27 1q3h s PHE 400 N 0.97 3.49 0.36 0.00 0.08 -1.26 -0.20 117.98 121.42 1q3h s PHE 400 Ca -0.10 0.64 -0.28 0.00 0.12 0.00 0.00 56.93 57.32 1q3h s PHE 400 Cb -0.15 -2.12 -0.11 0.00 -0.57 0.00 0.00 43.02 40.07 1q3h s PHE 400 CO 0.00 0.07 1.45 0.91 -0.10 0.00 0.00 175.22 177.56 1q3h n TRP 401 N -1.34 2.83 -4.12 0.36 7.02 -0.13 -4.68 117.44 117.38 1q3h n TRP 401 Ca -0.02 0.45 -0.12 0.00 -1.02 0.00 0.00 57.50 56.79 1q3h n TRP 401 Cb 0.55 -2.51 -0.11 0.00 -2.42 0.00 0.00 31.31 26.81 1q3h n TRP 401 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1q3h s GLU 402 N -1.90 0.69 0.15 -0.99 0.41 -1.26 -4.65 118.70 111.14 1q3h s GLU 402 Ca 0.55 -1.02 -0.34 0.00 -0.41 0.00 0.00 54.97 53.74 1q3h s GLU 402 Cb -0.50 -0.30 -0.14 0.00 -1.78 0.00 0.00 34.13 31.41 1q3h s GLU 402 CO 0.62 0.03 1.53 0.39 -0.49 0.00 0.00 175.26 177.35 1q3h n GLU 403 N 0.79 1.98 0.00 1.61 1.02 -1.26 -2.18 120.64 122.60 1q3h n GLU 403 Ca -0.18 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 1q3h n GLU 403 Cb 0.57 -2.46 0.00 0.00 -0.02 0.00 0.00 31.44 29.53 1q3h n GLU 403 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1q3h n GLY 404 N 3.24 3.28 0.27 0.62 0.00 -1.26 -4.86 105.19 106.48 1q3h n GLY 404 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1q3h n GLY 404 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1q3h h PHE 405 N 0.00 1.02 -0.69 1.61 3.04 -1.83 0.16 116.94 120.25 1q3h h PHE 405 Ca 0.00 -0.18 -0.02 0.00 3.98 0.00 0.00 57.97 61.75 1q3h h PHE 405 Cb 0.00 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.21 1q3h h PHE 405 CO 0.00 0.94 0.34 0.78 -2.02 0.00 0.00 178.31 178.35 1q3h h GLY 406 N 0.80 1.04 1.15 2.40 0.00 -1.89 -1.82 103.07 104.74 1q3h h GLY 406 Ca 0.15 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 1q3h h GLY 406 CO 0.03 0.46 0.06 -2.09 0.00 0.00 0.00 176.54 175.00 1q3h h GLU 407 N 0.97 1.03 0.29 4.80 4.81 -1.81 -0.44 114.58 124.22 1q3h h GLU 407 Ca 0.24 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1q3h h GLU 407 Cb 0.08 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1q3h h GLU 407 CO -0.03 0.97 -0.29 1.25 -0.73 0.00 0.00 179.01 180.18 1q3h h LEU 408 N 0.96 -0.77 -1.94 1.64 6.46 -0.13 0.20 115.31 121.73 1q3h h LEU 408 Ca 0.18 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 58.01 1q3h h LEU 408 Cb 0.47 0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 40.66 1q3h h LEU 408 CO 0.02 -0.41 -0.03 -0.07 -0.62 0.00 0.00 178.44 177.33 1q3h h LEU 409 N -0.61 0.00 -0.75 2.25 3.38 -1.29 -1.24 115.31 117.05 1q3h h LEU 409 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1q3h h LEU 409 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1q3h h LEU 409 CO -0.06 0.03 -0.37 -0.08 0.09 0.00 0.00 178.44 178.05 1q3h h GLU 410 N 0.00 0.00 0.00 1.13 4.81 -0.05 -2.02 114.58 118.45 1q3h h GLU 410 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1q3h h GLU 410 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1q3h h GLU 410 CO 0.00 0.37 0.00 1.63 -0.73 0.00 0.00 179.01 180.29 1q3h n LYS 411 N -3.43 0.02 -0.09 1.92 5.02 0.59 -5.06 118.16 117.14 1q3h n LYS 411 Ca 0.00 0.10 -0.10 0.00 -2.02 0.00 0.00 58.31 56.30 1q3h n LYS 411 Cb 0.55 -1.53 -0.11 0.00 -0.02 0.00 0.00 35.03 33.91 1q3h n LYS 411 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1q3h n VAL 412 N -1.57 1.11 0.00 -0.18 0.31 -0.76 -5.10 118.33 112.14 1q3h n VAL 412 Ca 0.06 -0.58 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1q3h n VAL 412 Cb 0.29 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 1q3h n VAL 412 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1q3h n PHE 430 N -2.78 0.00 0.03 3.52 3.72 -1.26 -4.87 117.46 115.82 1q3h n PHE 430 Ca -0.30 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.12 1q3h n PHE 430 Cb 0.96 0.00 0.37 0.00 -0.94 0.00 0.00 39.48 39.87 1q3h n PHE 430 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1q3h h SER 431 N 0.16 0.41 0.07 4.37 0.02 -2.00 -2.63 113.55 113.96 1q3h h SER 431 Ca 0.00 -0.05 -0.17 0.00 -0.84 0.00 0.00 61.79 60.73 1q3h h SER 431 Cb 0.00 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1q3h h SER 431 CO 0.00 0.43 -0.60 0.45 -1.14 0.00 0.00 176.83 175.98 1q3h h HIS 432 N 0.44 0.67 -0.41 3.45 3.86 -2.03 -0.09 115.15 121.04 1q3h h HIS 432 Ca 0.10 -0.25 -0.07 0.00 -1.16 0.00 0.00 60.37 58.99 1q3h h HIS 432 Cb 0.20 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 1q3h h HIS 432 CO 0.01 0.99 -0.04 -0.07 0.86 0.00 0.00 177.93 179.68 1q3h h LEU 433 N 0.39 0.65 -0.06 2.43 3.38 -1.89 -1.99 115.31 118.23 1q3h h LEU 433 Ca -0.00 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.65 1q3h h LEU 433 Cb 1.15 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.73 1q3h h LEU 433 CO 0.11 0.75 -0.61 0.00 0.09 0.00 0.00 178.44 178.78 1q3h h LEU 435 N 0.08 -1.10 -1.58 0.00 5.85 -0.85 -2.59 115.31 115.13 1q3h h LEU 435 Ca -0.06 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.79 1q3h h LEU 435 Cb 1.28 0.33 -0.03 0.00 0.37 0.00 0.00 40.66 42.61 1q3h h LEU 435 CO 0.12 -0.62 0.37 0.58 -0.34 0.00 0.00 178.44 178.55 1q3h h VAL 436 N -0.98 0.99 -0.13 1.05 2.07 -1.52 -3.47 116.25 114.26 1q3h h VAL 436 Ca -0.08 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1q3h h VAL 436 Cb 0.80 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1q3h h VAL 436 CO 0.05 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.35 1q3h n GLY 437 N -1.49 0.69 3.72 2.17 0.00 -0.98 -5.11 105.19 104.19 1q3h n GLY 437 Ca 0.08 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 1q3h n GLY 437 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1q3h s ASN 438 N -1.54 5.41 0.34 1.61 0.01 -0.66 -4.97 114.94 115.14 1q3h s ASN 438 Ca 0.00 0.16 -0.27 0.00 -0.71 0.00 0.00 52.86 52.04 1q3h s ASN 438 Cb 0.00 -1.54 -0.09 0.00 0.41 0.00 0.00 41.25 40.02 1q3h s ASN 438 CO 0.00 0.35 1.16 -2.16 -1.51 0.00 0.00 177.10 174.94 1q3h s PRO 439 N -1.11 4.35 -0.06 -0.60 0.04 -1.26 -0.96 135.00 135.40 1q3h s PRO 439 Ca 0.16 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1q3h s PRO 439 Cb -0.12 -2.94 -0.26 0.00 0.04 0.00 0.00 34.50 31.23 1q3h s PRO 439 CO 0.05 -0.07 0.59 -0.24 0.04 0.00 0.00 177.00 177.38 1q3h h VAL 440 N 2.75 0.83 -3.88 -0.36 3.04 -0.86 -3.44 116.25 114.34 1q3h h VAL 440 Ca -0.48 -2.57 -0.28 0.00 -1.01 0.00 0.00 66.70 62.35 1q3h h VAL 440 Cb 1.22 2.55 -0.27 0.00 -2.01 0.00 0.00 31.29 32.78 1q3h h VAL 440 CO 0.65 0.75 -0.74 -0.76 -1.01 0.00 0.00 177.57 176.46 1q3h s LEU 441 N -6.72 2.06 -0.07 3.16 1.43 -1.05 -4.30 118.68 113.19 1q3h s LEU 441 Ca -0.13 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1q3h s LEU 441 Cb 0.07 -0.16 0.03 0.00 0.03 0.00 0.00 46.19 46.16 1q3h s LEU 441 CO 0.81 -0.02 -0.03 -0.75 0.23 0.00 0.00 176.35 176.59 1q3h s LYS 442 N -0.42 0.86 -1.29 1.70 2.20 0.12 -0.99 119.74 121.91 1q3h s LYS 442 Ca -0.02 -0.01 -0.03 0.00 -0.36 0.00 0.00 55.97 55.55 1q3h s LYS 442 Cb -0.03 -1.08 0.01 0.00 -1.51 0.00 0.00 37.83 35.22 1q3h s LYS 442 CO -0.00 -0.25 0.97 0.09 -0.36 0.00 0.00 175.35 175.80 1q3h n ASN 443 N 4.87 -2.96 -4.71 1.43 3.02 0.67 -4.23 115.26 113.35 1q3h n ASN 443 Ca -0.12 -0.66 -0.41 0.00 -0.03 0.00 0.00 54.58 53.36 1q3h n ASN 443 Cb 0.50 -4.75 -0.04 0.00 -0.61 0.00 0.00 39.78 34.88 1q3h n ASN 443 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1q3h s ILE 444 N -3.42 4.94 -0.07 2.41 -1.09 0.19 -4.61 121.20 119.54 1q3h s ILE 444 Ca 0.18 1.78 0.02 0.00 -2.23 0.00 0.00 60.65 60.40 1q3h s ILE 444 Cb -0.08 -4.19 0.01 0.00 -1.58 0.00 0.00 42.46 36.62 1q3h s ILE 444 CO 0.76 0.19 -0.12 0.20 -1.23 0.00 0.00 174.94 174.74 1q3h s ASN 445 N 0.93 1.82 -0.13 3.58 0.01 -1.26 -1.25 114.94 118.64 1q3h s ASN 445 Ca 0.45 -0.30 -0.18 0.00 -0.71 0.00 0.00 52.86 52.12 1q3h s ASN 445 Cb -0.19 -0.83 0.05 0.00 0.41 0.00 0.00 41.25 40.69 1q3h s ASN 445 CO 0.23 0.01 0.48 -1.48 -1.51 0.00 0.00 177.10 174.82 1q3h s LEU 446 N 0.81 0.18 -0.23 0.60 0.05 -0.51 -4.95 118.68 114.63 1q3h s LEU 446 Ca -0.12 0.74 -0.02 0.00 0.05 0.00 0.00 54.13 54.79 1q3h s LEU 446 Cb -0.15 1.71 0.07 0.00 -2.05 0.00 0.00 46.19 45.76 1q3h s LEU 446 CO 0.02 -0.29 0.03 0.21 -0.55 0.00 0.00 176.35 175.77 1q3h s ASN 447 N -0.30 3.39 -0.19 1.48 2.47 -1.26 0.41 114.94 120.93 1q3h s ASN 447 Ca -0.05 -1.09 0.01 0.00 0.42 0.00 0.00 52.86 52.15 1q3h s ASN 447 Cb -0.03 -0.79 0.02 0.00 -1.45 0.00 0.00 41.25 39.00 1q3h s ASN 447 CO 0.03 -0.32 -0.18 -0.63 -3.72 0.00 0.00 177.10 172.28 1q3h s ILE 448 N 1.70 2.15 0.59 -5.21 -1.09 0.53 -5.01 121.20 114.86 1q3h s ILE 448 Ca 0.00 -1.02 -0.15 0.00 -2.23 0.00 0.00 60.65 57.26 1q3h s ILE 448 Cb -0.18 -1.96 -0.04 0.00 -1.58 0.00 0.00 42.46 38.71 1q3h s ILE 448 CO -0.12 0.45 1.04 -1.61 -1.23 0.00 0.00 174.94 173.47 1q3h s GLU 449 N 1.27 3.43 0.28 2.79 2.02 -1.26 -0.99 118.70 126.24 1q3h s GLU 449 Ca 0.03 1.05 -0.30 0.00 0.02 0.00 0.00 54.97 55.77 1q3h s GLU 449 Cb -0.14 -2.06 -0.13 0.00 0.10 0.00 0.00 34.13 31.90 1q3h s GLU 449 CO -0.11 -0.70 1.36 1.17 0.02 0.00 0.00 175.26 177.00 1q3h n LYS 450 N -2.18 2.07 -0.61 1.61 4.81 -1.26 -1.64 118.16 120.96 1q3h n LYS 450 Ca 0.08 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 1q3h n LYS 450 Cb 0.53 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.22 1q3h n LYS 450 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1q3h n GLY 451 N 1.68 1.33 3.91 3.14 0.00 -1.26 -4.90 105.19 109.10 1q3h n GLY 451 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1q3h n GLY 451 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q3h s GLU 452 N -0.17 3.34 -0.12 1.61 2.02 -0.65 -4.32 118.70 120.41 1q3h s GLU 452 Ca 0.00 0.06 0.02 0.00 0.02 0.00 0.00 54.97 55.08 1q3h s GLU 452 Cb 0.00 -2.38 -0.01 0.00 0.10 0.00 0.00 34.13 31.85 1q3h s GLU 452 CO 0.00 -0.32 -0.19 1.41 0.02 0.00 0.00 175.26 176.17 1q3h s MET 453 N -4.77 3.18 -0.25 1.61 -2.45 -1.26 -1.54 119.30 113.82 1q3h s MET 453 Ca 0.49 -0.80 -0.11 0.00 -1.25 0.00 0.00 55.69 54.02 1q3h s MET 453 Cb -0.10 -2.44 -0.05 0.00 1.25 0.00 0.00 34.83 33.48 1q3h s MET 453 CO 0.44 0.18 0.18 -1.17 1.05 0.00 0.00 175.02 175.69 1q3h s LEU 454 N 0.39 4.08 -0.19 4.11 0.20 -0.47 -1.75 118.68 125.05 1q3h s LEU 454 Ca -0.15 0.08 -0.14 0.00 0.69 0.00 0.00 54.13 54.61 1q3h s LEU 454 Cb -0.17 -2.12 -0.04 0.00 -0.43 0.00 0.00 46.19 43.42 1q3h s LEU 454 CO 0.07 0.02 0.31 0.00 -0.29 0.00 0.00 176.35 176.45 1q3h s ALA 455 N 1.33 3.58 -0.23 5.97 0.00 -0.09 -1.17 121.76 131.16 1q3h s ALA 455 Ca 0.08 -0.55 -0.03 0.00 0.00 0.00 0.00 51.96 51.46 1q3h s ALA 455 Cb -0.14 -2.46 0.01 0.00 0.00 0.00 0.00 23.12 20.52 1q3h s ALA 455 CO 0.07 -0.09 -0.06 0.42 0.00 0.00 0.00 175.76 176.10 1q3h s ILE 456 N 0.85 3.06 0.16 0.00 1.01 0.33 -0.92 121.20 125.68 1q3h s ILE 456 Ca 0.16 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 60.05 1q3h s ILE 456 Cb -0.14 -2.46 -0.00 0.00 0.01 0.00 0.00 42.46 39.87 1q3h s ILE 456 CO 0.05 0.32 0.04 1.07 0.00 0.00 0.00 174.94 176.43 1q3h n THR 457 N 4.73 0.00 -0.97 2.92 5.66 -0.11 -1.55 114.28 124.96 1q3h n THR 457 Ca -0.18 -0.87 0.00 0.00 -3.05 0.00 0.00 64.05 59.95 1q3h n THR 457 Cb 0.49 0.28 0.00 0.00 -1.55 0.00 0.00 70.33 69.55 1q3h n THR 457 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1q3h n GLY 458 N 1.54 -1.27 3.73 1.09 0.00 -1.26 -0.19 105.19 108.83 1q3h n GLY 458 Ca -0.03 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.18 1q3h n GLY 458 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q3h s SER 459 N -1.44 3.66 0.36 1.61 1.04 -0.91 -4.69 113.70 113.34 1q3h s SER 459 Ca 0.00 1.46 -0.27 0.00 0.48 0.00 0.00 55.95 57.61 1q3h s SER 459 Cb 0.00 -2.15 -0.09 0.00 0.10 0.00 0.00 66.02 63.88 1q3h s SER 459 CO 0.00 -2.51 1.26 0.42 0.98 0.00 0.00 173.24 173.39 1q3h s THR 460 N -2.97 2.83 -1.51 2.02 -4.23 -1.26 -2.33 115.64 108.19 1q3h s THR 460 Ca 0.63 0.78 0.00 0.00 -1.18 0.00 0.00 61.69 61.92 1q3h s THR 460 Cb -0.17 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.19 1q3h s THR 460 CO 0.56 0.15 0.00 0.61 -0.54 0.00 0.00 174.62 175.40 1q3h n GLY 461 N 0.76 -0.07 0.48 3.99 0.00 -1.26 -4.89 105.19 104.21 1q3h n GLY 461 Ca 0.02 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 45.96 1q3h n GLY 461 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q3h n SER 462 N -1.20 1.44 0.00 1.61 3.41 -0.98 -4.55 113.62 113.34 1q3h n SER 462 Ca -0.20 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 1q3h n SER 462 Cb 0.64 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1q3h n SER 462 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1q3h n GLY 463 N 1.06 0.86 0.32 5.00 0.00 -1.26 -2.41 105.19 108.76 1q3h n GLY 463 Ca 0.15 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 1q3h n GLY 463 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q3h h LYS 464 N 2.36 -0.37 -0.73 1.61 1.57 -1.90 -0.87 116.57 118.23 1q3h h LYS 464 Ca 0.00 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1q3h h LYS 464 Cb 0.00 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 1q3h h LYS 464 CO 0.00 -0.25 0.49 1.15 -0.57 0.00 0.00 179.45 180.27 1q3h h THR 465 N -0.39 1.19 -0.46 -0.16 2.02 -2.00 -2.62 112.91 110.50 1q3h h THR 465 Ca 0.09 -0.34 0.06 0.00 0.77 0.00 0.00 66.41 66.99 1q3h h THR 465 Cb 0.53 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1q3h h THR 465 CO -0.34 0.18 0.31 0.28 0.37 0.00 0.00 175.52 176.32 1q3h h SER 466 N 0.99 0.33 -0.69 4.18 0.02 -1.73 0.13 113.55 116.79 1q3h h SER 466 Ca 0.27 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.18 1q3h h SER 466 Cb -0.12 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 1q3h h SER 466 CO -0.06 0.22 0.30 0.25 -1.14 0.00 0.00 176.83 176.40 1q3h h LEU 467 N 0.38 0.93 -0.54 5.07 5.85 -0.80 0.58 115.31 126.77 1q3h h LEU 467 Ca 0.20 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 1q3h h LEU 467 Cb 0.31 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1q3h h LEU 467 CO -0.05 0.83 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.81 1q3h h LEU 468 N 0.97 0.95 -0.96 2.25 4.07 -0.77 -2.33 115.31 119.49 1q3h h LEU 468 Ca 0.23 -0.31 0.03 0.00 0.08 0.00 0.00 57.88 57.91 1q3h h LEU 468 Cb 0.17 -0.26 -0.05 0.00 1.08 0.00 0.00 40.66 41.60 1q3h h LEU 468 CO -0.02 1.03 0.63 0.24 -1.08 0.00 0.00 178.44 179.23 1q3h h MET 469 N 0.84 1.19 -0.88 1.13 2.86 -0.65 -0.23 114.93 119.21 1q3h h MET 469 Ca 0.15 -0.07 0.10 0.00 -2.06 0.00 0.00 59.70 57.82 1q3h h MET 469 Cb 0.55 -0.27 -0.08 0.00 0.06 0.00 0.00 31.60 31.86 1q3h h MET 469 CO 0.03 0.79 0.52 1.25 1.06 0.00 0.00 176.91 180.55 1q3h h LEU 470 N 1.23 0.74 -0.61 1.22 5.85 -0.52 -0.07 115.31 123.16 1q3h h LEU 470 Ca 0.37 0.05 -0.14 0.00 0.84 0.00 0.00 57.88 59.00 1q3h h LEU 470 Cb -0.03 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1q3h h LEU 470 CO -0.11 0.42 -0.69 0.40 -0.34 0.00 0.00 178.44 178.12 1q3h h ILE 471 N 0.85 1.48 -0.00 4.05 2.04 -0.70 -2.66 117.51 122.56 1q3h h ILE 471 Ca 0.42 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.92 1q3h h ILE 471 Cb 0.39 2.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 1q3h h ILE 471 CO -0.25 0.67 -0.03 0.18 0.00 0.00 0.00 178.15 178.72 1q3h n LEU 472 N -3.70 0.18 0.00 1.44 4.77 -0.22 -4.90 117.00 114.57 1q3h n LEU 472 Ca -0.01 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1q3h n LEU 472 Cb 0.68 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1q3h n LEU 472 CO 0.43 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1q3h n GLY 473 N 1.22 0.52 0.14 -0.72 0.00 -0.46 -4.90 105.19 100.99 1q3h n GLY 473 Ca 0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.23 1q3h n GLY 473 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1q3h h GLU 474 N 1.09 0.00 -5.29 1.61 4.39 -1.30 -3.43 114.58 111.65 1q3h h GLU 474 Ca 0.00 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 59.03 1q3h h GLU 474 Cb 0.00 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 28.35 1q3h h GLU 474 CO 0.00 0.30 -0.82 -1.17 -1.16 0.00 0.00 179.01 176.17 1q3h s LEU 475 N -6.10 2.43 0.22 1.33 2.96 -1.15 -4.95 118.68 113.43 1q3h s LEU 475 Ca 0.02 -0.45 -0.21 0.00 -0.22 0.00 0.00 54.13 53.28 1q3h s LEU 475 Cb 0.08 -1.53 -0.08 0.00 0.50 0.00 0.00 46.19 45.16 1q3h s LEU 475 CO 0.76 0.14 0.74 -1.83 -1.32 0.00 0.00 176.35 174.84 1q3h s GLU 476 N 0.46 4.32 -0.51 1.98 1.03 -1.26 -4.35 118.70 120.37 1q3h s GLU 476 Ca -0.12 0.94 -0.21 0.00 0.03 0.00 0.00 54.97 55.60 1q3h s GLU 476 Cb -0.16 -2.93 0.05 0.00 -0.80 0.00 0.00 34.13 30.28 1q3h s GLU 476 CO 0.05 0.42 0.75 0.00 -1.33 0.00 0.00 175.26 175.15 1q3h s ALA 477 N -1.47 3.30 0.14 -0.84 0.00 -1.26 -4.51 121.76 117.12 1q3h s ALA 477 Ca 0.42 -1.48 -0.12 0.00 0.00 0.00 0.00 51.96 50.79 1q3h s ALA 477 Cb -0.18 -3.49 -0.00 0.00 0.00 0.00 0.00 23.12 19.45 1q3h s ALA 477 CO 0.22 -2.12 1.55 0.77 0.00 0.00 0.00 175.76 176.18 1q3h h SER 478 N 9.10 0.91 -2.76 0.00 0.02 -1.31 -3.44 113.55 116.06 1q3h h SER 478 Ca -0.27 -0.37 -0.58 0.00 -0.84 0.00 0.00 61.79 59.73 1q3h h SER 478 Cb 1.09 -0.25 -0.15 0.00 0.14 0.00 0.00 62.40 63.22 1q3h h SER 478 CO 1.00 1.07 -0.77 -1.61 -1.14 0.00 0.00 176.83 175.38 1q3h s GLU 479 N -4.76 1.53 0.00 3.45 2.02 -0.48 -4.98 118.70 115.48 1q3h s GLU 479 Ca -0.12 -1.64 0.00 0.00 0.02 0.00 0.00 54.97 53.23 1q3h s GLU 479 Cb 0.11 -1.61 0.00 0.00 0.10 0.00 0.00 34.13 32.74 1q3h s GLU 479 CO 0.84 0.31 0.00 0.41 0.02 0.00 0.00 175.26 176.84 1q3h n GLY 480 N -0.28 -1.35 3.12 -1.39 0.00 -1.11 -2.33 105.19 101.85 1q3h n GLY 480 Ca -0.08 -1.56 -0.25 0.00 0.00 0.00 0.00 46.02 44.13 1q3h n GLY 480 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q3h s ILE 481 N -1.29 1.31 -0.21 -0.61 1.01 -0.97 -4.92 121.20 115.52 1q3h s ILE 481 Ca 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 59.94 1q3h s ILE 481 Cb 0.00 -1.13 -0.02 0.00 0.01 0.00 0.00 42.46 41.33 1q3h s ILE 481 CO 0.00 0.38 -0.02 -0.51 0.00 0.00 0.00 174.94 174.79 1q3h s ILE 482 N -0.02 3.68 -0.26 2.92 -1.16 -1.26 -1.22 121.20 123.87 1q3h s ILE 482 Ca -0.02 -0.40 -0.00 0.00 -0.51 0.00 0.00 60.65 59.72 1q3h s ILE 482 Cb -0.10 -2.66 0.04 0.00 0.61 0.00 0.00 42.46 40.35 1q3h s ILE 482 CO 0.01 0.43 -0.06 -0.54 -2.81 0.00 0.00 174.94 171.97 1q3h s LYS 483 N 1.18 2.59 -0.17 3.50 1.02 0.80 -4.98 119.74 123.68 1q3h s LYS 483 Ca 0.03 -1.14 -0.26 0.00 0.02 0.00 0.00 55.97 54.62 1q3h s LYS 483 Cb -0.14 -3.00 0.07 0.00 -0.52 0.00 0.00 37.83 34.23 1q3h s LYS 483 CO 0.00 -0.49 0.66 -3.38 -0.92 0.00 0.00 175.35 171.22 1q3h s HIS 484 N 1.25 -0.69 0.03 3.18 -3.43 -1.26 -0.79 115.29 113.58 1q3h s HIS 484 Ca -0.03 1.52 0.07 0.00 -0.80 0.00 0.00 55.06 55.82 1q3h s HIS 484 Cb -0.18 0.30 -0.02 0.00 -1.43 0.00 0.00 32.58 31.25 1q3h s HIS 484 CO -0.04 -0.45 -0.21 -1.54 -2.00 0.00 0.00 174.74 170.50 1q3h s SER 485 N -0.25 2.47 0.00 7.38 1.04 -1.26 -5.05 113.70 118.03 1q3h s SER 485 Ca -0.04 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1q3h s SER 485 Cb -0.03 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.87 1q3h s SER 485 CO 0.04 0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.05 1q3h n GLY 486 N 1.96 2.85 3.77 7.32 0.00 -1.26 -4.79 105.19 115.03 1q3h n GLY 486 Ca -0.17 -1.98 -0.38 0.00 0.00 0.00 0.00 46.02 43.50 1q3h n GLY 486 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q3h s ARG 487 N -2.03 3.79 0.01 1.61 0.52 -1.26 -4.87 118.95 116.71 1q3h s ARG 487 Ca 0.00 1.88 0.07 0.00 -0.52 0.00 0.00 55.73 57.16 1q3h s ARG 487 Cb 0.00 -2.49 -0.02 0.00 0.52 0.00 0.00 34.95 32.96 1q3h s ARG 487 CO 0.00 -0.55 -0.22 0.14 0.02 0.00 0.00 175.30 174.69 1q3h s VAL 488 N -1.46 1.74 -0.15 3.52 -7.23 -1.26 -0.95 120.40 114.61 1q3h s VAL 488 Ca 0.62 -1.06 -0.04 0.00 -1.81 0.00 0.00 61.98 59.69 1q3h s VAL 488 Cb -0.31 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.13 1q3h s VAL 488 CO 0.38 0.38 -0.03 -0.55 -0.31 0.00 0.00 175.10 174.98 1q3h s SER 489 N -0.80 4.88 -0.17 4.85 0.15 0.42 -4.97 113.70 118.06 1q3h s SER 489 Ca 0.08 -0.09 0.01 0.00 0.70 0.00 0.00 55.95 56.65 1q3h s SER 489 Cb -0.09 -1.75 0.02 0.00 -1.71 0.00 0.00 66.02 62.49 1q3h s SER 489 CO 0.00 0.19 -0.18 0.12 1.20 0.00 0.00 173.24 174.57 1q3h s PHE 490 N 0.23 2.58 -0.40 3.44 5.36 -1.26 0.12 117.98 128.05 1q3h s PHE 490 Ca -0.02 -1.48 -0.09 0.00 -0.96 0.00 0.00 56.93 54.38 1q3h s PHE 490 Cb -0.14 -1.81 0.06 0.00 -0.34 0.00 0.00 43.02 40.80 1q3h s PHE 490 CO 0.03 -0.74 0.22 0.00 -1.46 0.00 0.00 175.22 173.26 1q3h s SER 492 N 1.87 5.70 0.16 0.00 1.04 -1.26 -1.16 113.70 120.06 1q3h s SER 492 Ca 0.02 1.48 -0.15 0.00 0.48 0.00 0.00 55.95 57.78 1q3h s SER 492 Cb -0.22 -2.42 0.04 0.00 0.10 0.00 0.00 66.02 63.53 1q3h s SER 492 CO 0.03 -1.22 1.81 -0.61 0.98 0.00 0.00 173.24 174.23 1q3h h GLN 493 N -0.56 0.54 -6.17 4.02 4.15 -1.91 -3.38 115.11 111.78 1q3h h GLN 493 Ca -0.44 -0.03 -0.57 0.00 0.77 0.00 0.00 58.65 58.38 1q3h h GLN 493 Cb 1.21 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 28.73 1q3h h GLN 493 CO 0.60 0.36 0.74 0.12 -1.93 0.00 0.00 178.83 178.71 1q3h s PHE 494 N -6.15 3.28 -0.73 3.99 5.36 -1.26 -4.93 117.98 117.53 1q3h s PHE 494 Ca -0.13 1.39 -0.22 0.00 -0.96 0.00 0.00 56.93 57.00 1q3h s PHE 494 Cb 0.12 -3.31 0.08 0.00 -0.34 0.00 0.00 43.02 39.56 1q3h s PHE 494 CO 0.73 -0.74 1.05 -1.12 -1.46 0.00 0.00 175.22 173.67 1q3h s SER 495 N 1.35 6.26 0.03 6.13 0.01 -1.26 -5.02 113.70 121.20 1q3h s SER 495 Ca 0.49 -1.14 -0.18 0.00 1.31 0.00 0.00 55.95 56.43 1q3h s SER 495 Cb -0.18 -2.44 -0.06 0.00 0.21 0.00 0.00 66.02 63.55 1q3h s SER 495 CO 0.13 -1.42 0.50 -1.66 0.41 0.00 0.00 173.24 171.21 1q3h s TRP 496 N 4.03 3.76 -0.12 2.43 1.48 -1.26 -4.92 118.94 124.34 1q3h s TRP 496 Ca 0.26 1.14 0.02 0.00 -1.06 0.00 0.00 56.10 56.46 1q3h s TRP 496 Cb -0.13 -2.43 0.01 0.00 -1.16 0.00 0.00 33.47 29.76 1q3h s TRP 496 CO 0.06 0.57 -0.17 0.42 -4.06 0.00 0.00 176.95 173.78 1q3h s ILE 497 N -0.95 1.65 0.38 0.66 -1.09 -1.26 -4.88 121.20 115.71 1q3h s ILE 497 Ca 0.27 -0.73 -0.08 0.00 -2.23 0.00 0.00 60.65 57.88 1q3h s ILE 497 Cb -0.18 -1.49 -0.06 0.00 -1.58 0.00 0.00 42.46 39.15 1q3h s ILE 497 CO 0.16 0.47 0.71 0.00 -1.23 0.00 0.00 174.94 175.05 1q3h s MET 498 N 0.96 3.71 0.24 2.79 0.23 -1.26 -1.24 119.30 124.72 1q3h s MET 498 Ca -0.06 0.30 -0.31 0.00 -1.03 0.00 0.00 55.69 54.58 1q3h s MET 498 Cb -0.15 -2.47 -0.13 0.00 -1.53 0.00 0.00 34.83 30.56 1q3h s MET 498 CO -0.02 0.02 1.55 -2.30 -2.03 0.00 0.00 175.02 172.24 1q3h n PRO 499 N -1.30 2.39 0.00 3.16 -0.02 -1.26 -4.61 135.00 133.36 1q3h n PRO 499 Ca 0.01 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1q3h n PRO 499 Cb 0.54 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1q3h n PRO 499 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q3h n GLY 500 N 2.67 1.10 3.75 -1.23 0.00 -0.92 -4.96 105.19 105.60 1q3h n GLY 500 Ca 0.12 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 1q3h n GLY 500 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q3h s THR 501 N -1.03 2.43 0.20 2.61 -4.23 -1.26 -0.27 115.64 114.08 1q3h s THR 501 Ca 0.00 0.14 -0.11 0.00 -1.18 0.00 0.00 61.69 60.54 1q3h s THR 501 Cb 0.00 -2.78 0.12 0.00 1.34 0.00 0.00 72.50 71.18 1q3h s THR 501 CO 0.00 -0.18 1.83 0.40 -0.54 0.00 0.00 174.62 176.13 1q3h h ILE 502 N -1.49 1.08 -0.41 2.99 2.04 -1.25 -0.68 117.51 119.78 1q3h h ILE 502 Ca -0.50 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 1q3h h ILE 502 Cb 1.31 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1q3h h ILE 502 CO 0.59 0.14 0.18 0.50 0.00 0.00 0.00 178.15 179.55 1q3h h LYS 503 N 0.76 0.61 -0.53 2.37 3.64 -1.69 -1.47 116.57 120.25 1q3h h LYS 503 Ca 0.25 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1q3h h LYS 503 Cb 0.02 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 1q3h h LYS 503 CO -0.10 0.56 0.31 0.93 -2.27 0.00 0.00 179.45 178.87 1q3h h GLU 504 N 0.52 0.72 -0.21 1.90 5.08 -1.78 0.98 114.58 121.80 1q3h h GLU 504 Ca 0.14 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 1q3h h GLU 504 Cb 0.17 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1q3h h GLU 504 CO -0.01 0.51 -0.30 -0.91 -1.00 0.00 0.00 179.01 177.30 1q3h h ASN 505 N 0.73 0.41 0.24 1.42 2.35 -0.59 0.15 115.58 120.30 1q3h h ASN 505 Ca 0.19 -0.15 -0.33 0.00 -0.55 0.00 0.00 56.30 55.46 1q3h h ASN 505 Cb -0.01 -0.11 0.03 0.00 0.05 0.00 0.00 38.32 38.28 1q3h h ASN 505 CO -0.04 0.70 -1.48 0.40 -1.65 0.00 0.00 177.43 175.36 1q3h h ILE 506 N 0.35 1.25 -0.06 2.81 2.04 -0.27 -3.34 117.51 120.30 1q3h h ILE 506 Ca 0.05 -2.67 -0.24 0.00 1.00 0.00 0.00 64.86 63.01 1q3h h ILE 506 Cb 0.71 3.02 0.02 0.00 -0.74 0.00 0.00 36.82 39.82 1q3h h ILE 506 CO 0.05 0.81 -0.89 0.40 0.00 0.00 0.00 178.15 178.53 1q3h h ILE 507 N 0.11 1.29 -4.87 -0.67 5.03 -0.88 -3.38 117.51 114.15 1q3h h ILE 507 Ca -0.26 -2.11 -0.18 0.00 -0.12 0.00 0.00 64.86 62.18 1q3h h ILE 507 Cb 2.14 2.26 0.00 0.00 -3.03 0.00 0.00 36.82 38.18 1q3h h ILE 507 CO 0.26 0.66 -0.47 0.33 -0.68 0.00 0.00 178.15 178.25 1q3h n PHE 508 N -3.94 -0.92 -0.32 1.37 7.35 0.53 -1.20 117.46 120.34 1q3h n PHE 508 Ca -0.10 0.38 0.00 0.00 -0.76 0.00 0.00 57.45 56.98 1q3h n PHE 508 Cb 0.80 -0.91 0.00 0.00 0.35 0.00 0.00 39.48 39.72 1q3h n PHE 508 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1q3h n GLY 509 N -0.56 2.02 3.91 7.13 0.00 -1.26 -5.01 105.19 111.42 1q3h n GLY 509 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1q3h n GLY 509 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q3h s VAL 510 N -3.19 5.16 0.28 1.61 1.01 -0.34 -5.04 120.40 119.89 1q3h s VAL 510 Ca 0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 1q3h s VAL 510 Cb 0.00 -3.66 -0.10 0.00 0.00 0.00 0.00 36.38 32.61 1q3h s VAL 510 CO 0.00 -0.06 1.40 -0.94 0.00 0.00 0.00 175.10 175.50 1q3h s SER 511 N -2.70 6.67 0.33 3.32 1.04 -1.26 -4.94 113.70 116.16 1q3h s SER 511 Ca 0.41 2.70 -0.27 0.00 0.48 0.00 0.00 55.95 59.27 1q3h s SER 511 Cb -0.12 -2.63 -0.09 0.00 0.10 0.00 0.00 66.02 63.28 1q3h s SER 511 CO 0.26 -0.66 1.05 -0.47 0.98 0.00 0.00 173.24 174.41 1q3h s TYR 512 N -0.44 3.49 -0.27 5.02 5.04 -1.26 -5.03 117.35 123.90 1q3h s TYR 512 Ca 0.55 1.70 -0.01 0.00 -2.44 0.00 0.00 57.07 56.88 1q3h s TYR 512 Cb -0.41 -3.17 0.14 0.00 0.35 0.00 0.00 41.96 38.87 1q3h s TYR 512 CO 0.48 -0.44 0.34 0.34 -1.34 0.00 0.00 175.55 174.92 1q3h s ASP 513 N -1.25 1.00 0.14 4.32 -1.08 -1.26 -5.07 116.67 113.47 1q3h s ASP 513 Ca 0.50 -0.40 -0.21 0.00 -0.52 0.00 0.00 52.55 51.92 1q3h s ASP 513 Cb -0.26 0.78 0.02 0.00 -1.46 0.00 0.00 42.92 42.00 1q3h s ASP 513 CO 0.33 -0.35 1.66 -0.08 0.52 0.00 0.00 175.17 177.25 1q3h h GLU 514 N 8.22 -0.14 -0.22 4.34 4.57 -1.99 -0.35 114.58 129.00 1q3h h GLU 514 Ca -0.14 0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 57.94 1q3h h GLU 514 Cb 1.11 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.72 1q3h h GLU 514 CO 0.30 -0.10 -0.35 1.88 -1.18 0.00 0.00 179.01 179.57 1q3h h TYR 515 N -0.15 0.55 -0.12 0.92 0.99 -1.99 -1.52 116.97 115.65 1q3h h TYR 515 Ca 0.13 -0.14 -0.06 0.00 2.00 0.00 0.00 58.73 60.66 1q3h h TYR 515 Cb 0.34 -0.13 -0.00 0.00 1.00 0.00 0.00 36.73 37.94 1q3h h TYR 515 CO -0.31 0.76 -0.16 -0.09 -0.00 0.00 0.00 178.16 178.36 1q3h h ARG 516 N 0.40 0.31 0.09 4.88 2.43 -1.83 -1.68 114.38 118.99 1q3h h ARG 516 Ca 0.05 -0.18 0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1q3h h ARG 516 Cb 0.80 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 1q3h h ARG 516 CO 0.06 0.75 -0.29 -0.92 -1.51 0.00 0.00 179.97 178.06 1q3h h TYR 517 N -0.10 -0.77 -0.97 2.20 3.20 -0.97 0.64 116.97 120.20 1q3h h TYR 517 Ca 0.01 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.98 1q3h h TYR 517 Cb 0.71 0.33 -0.07 0.00 1.54 0.00 0.00 36.73 39.24 1q3h h TYR 517 CO 0.09 -0.39 0.62 0.87 -1.64 0.00 0.00 178.16 177.72 1q3h h LYS 518 N -0.49 1.03 -0.05 1.82 1.57 -1.28 0.82 116.57 120.00 1q3h h LYS 518 Ca 0.04 -0.06 -0.20 0.00 -1.87 0.00 0.00 60.65 58.56 1q3h h LYS 518 Cb 0.53 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1q3h h LYS 518 CO -0.19 0.68 -0.81 1.03 -0.57 0.00 0.00 179.45 179.60 1q3h h SER 519 N 1.07 0.48 -0.32 0.86 0.87 -0.84 -2.00 113.55 113.65 1q3h h SER 519 Ca 0.43 -0.34 -0.11 0.00 -1.23 0.00 0.00 61.79 60.55 1q3h h SER 519 Cb 0.28 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1q3h h SER 519 CO -0.19 1.10 -0.22 0.58 -0.53 0.00 0.00 176.83 177.57 1q3h h VAL 520 N 0.25 1.29 -0.55 2.23 2.07 -0.23 -2.23 116.25 119.08 1q3h h VAL 520 Ca -0.05 -1.37 -0.03 0.00 0.82 0.00 0.00 66.70 66.07 1q3h h VAL 520 Cb 1.41 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 1q3h h VAL 520 CO 0.14 0.44 0.21 0.58 0.02 0.00 0.00 177.57 178.96 1q3h h VAL 521 N 0.49 1.20 -0.13 2.57 2.07 -0.79 -1.62 116.25 120.04 1q3h h VAL 521 Ca 0.06 -0.65 -0.09 0.00 0.82 0.00 0.00 66.70 66.84 1q3h h VAL 521 Cb 0.78 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1q3h h VAL 521 CO 0.06 0.25 -0.26 0.50 0.02 0.00 0.00 177.57 178.15 1q3h h LYS 522 N 0.79 0.40 -0.16 1.57 3.64 -1.31 -1.41 116.57 120.09 1q3h h LYS 522 Ca 0.19 -0.26 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 1q3h h LYS 522 Cb 0.18 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1q3h h LYS 522 CO -0.02 0.86 -0.29 0.00 -2.27 0.00 0.00 179.45 177.73 1q3h h ALA 523 N 0.54 1.21 -0.13 5.00 0.00 -1.20 -1.53 119.26 123.15 1q3h h ALA 523 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1q3h h ALA 523 Cb 0.85 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1q3h h ALA 523 CO 0.06 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1q3h n GLN 525 N -0.03 -5.53 -0.00 0.00 1.13 -0.57 -4.86 117.38 107.51 1q3h n GLN 525 Ca 0.05 0.62 0.10 0.00 -1.94 0.00 0.00 57.00 55.82 1q3h n GLN 525 Cb 0.22 -5.43 -0.12 0.00 0.11 0.00 0.00 30.24 25.01 1q3h n GLN 525 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1q3h n LEU 526 N -4.60 0.65 0.05 1.08 4.77 -0.54 -4.32 117.00 114.10 1q3h n LEU 526 Ca -0.06 -0.35 -0.05 0.00 -0.03 0.00 0.00 56.01 55.52 1q3h n LEU 526 Cb 0.57 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.81 1q3h n LEU 526 CO 0.73 0.16 0.57 -0.61 -1.33 0.00 0.00 177.39 176.91 1q3h h GLN 527 N 0.00 0.37 -0.31 3.23 5.75 -1.87 -1.11 115.11 121.17 1q3h h GLN 527 Ca 0.00 -0.20 0.06 0.00 -0.15 0.00 0.00 58.65 58.36 1q3h h GLN 527 Cb 0.60 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 1q3h h GLN 527 CO 0.00 0.76 0.21 1.96 -2.65 0.00 0.00 178.83 179.11 1q3h h GLN 528 N 0.30 0.17 0.00 1.69 7.50 -1.93 -2.23 115.11 120.60 1q3h h GLN 528 Ca 0.02 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.15 1q3h h GLN 528 Cb 0.94 -0.04 -0.00 0.00 0.05 0.00 0.00 27.48 28.43 1q3h h GLN 528 CO 0.08 0.11 -0.06 -0.44 -1.50 0.00 0.00 178.83 177.02 1q3h h ASP 529 N 0.17 0.00 0.66 1.46 3.32 -1.52 -3.37 116.42 117.14 1q3h h ASP 529 Ca 0.14 -0.43 -0.02 0.00 0.02 0.00 0.00 57.03 56.74 1q3h h ASP 529 Cb 0.33 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 1q3h h ASP 529 CO -0.02 0.75 -0.08 0.16 -1.72 0.00 0.00 179.24 178.33 1q3h h ILE 530 N -1.00 0.28 0.00 0.35 3.07 -1.22 -0.38 117.51 118.62 1q3h h ILE 530 Ca -0.01 -0.57 0.00 0.00 1.55 0.00 0.00 64.86 65.83 1q3h h ILE 530 Cb 0.48 1.44 0.00 0.00 -0.27 0.00 0.00 36.82 38.47 1q3h h ILE 530 CO -0.01 0.08 0.00 1.07 -1.05 0.00 0.00 178.15 178.24 1q3h n THR 531 N -3.31 0.90 0.64 0.16 5.66 -0.84 -1.85 114.28 115.64 1q3h n THR 531 Ca -0.01 0.23 0.13 0.00 -3.05 0.00 0.00 64.05 61.34 1q3h n THR 531 Cb 0.28 -1.03 0.33 0.00 -1.55 0.00 0.00 70.33 68.35 1q3h n THR 531 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1q3h n LYS 532 N -1.76 0.25 -4.08 1.09 5.02 -0.15 -4.89 118.16 113.63 1q3h n LYS 532 Ca 0.03 0.15 -0.32 0.00 -2.02 0.00 0.00 58.31 56.16 1q3h n LYS 532 Cb 0.20 -1.74 -0.07 0.00 -0.02 0.00 0.00 35.03 33.41 1q3h n LYS 532 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1q3h s PHE 533 N -3.11 3.23 0.27 2.13 2.99 -0.77 -5.02 117.98 117.70 1q3h s PHE 533 Ca 0.09 0.13 -0.02 0.00 0.00 0.00 0.00 56.93 57.13 1q3h s PHE 533 Cb 0.13 -1.67 0.37 0.00 0.00 0.00 0.00 43.02 41.85 1q3h s PHE 533 CO 0.64 0.53 1.85 0.00 -0.00 0.00 0.00 175.22 178.24 1q3h h ALA 534 N 3.66 1.23 -0.41 5.36 0.00 -1.90 -2.63 119.26 124.56 1q3h h ALA 534 Ca -0.48 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1q3h h ALA 534 Cb 1.17 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1q3h h ALA 534 CO 0.64 0.56 0.00 0.39 0.00 0.00 0.00 179.25 180.84 1q3h n GLU 535 N -4.30 3.15 0.00 0.00 -0.58 -1.26 -5.03 120.64 112.62 1q3h n GLU 535 Ca 0.05 -2.55 0.00 0.00 -0.42 0.00 0.00 57.16 54.24 1q3h n GLU 535 Cb 0.18 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 1q3h n GLU 535 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1q3h n GLN 536 N 0.39 0.00 -0.38 3.49 6.02 -0.99 0.17 117.38 126.07 1q3h n GLN 536 Ca 0.19 0.00 0.38 0.00 -0.01 0.00 0.00 57.00 57.56 1q3h n GLN 536 Cb 0.71 0.00 0.69 0.00 1.02 0.00 0.00 30.24 32.66 1q3h n GLN 536 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1q3h h ASP 537 N 0.00 0.00 -0.34 1.08 3.32 -1.92 0.15 116.42 118.71 1q3h h ASP 537 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1q3h h ASP 537 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1q3h h ASP 537 CO 0.00 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 1q3h n ASN 538 N -3.77 3.37 -4.67 6.45 5.03 0.13 -1.95 115.26 119.84 1q3h n ASN 538 Ca 0.29 -1.99 -0.45 0.00 0.87 0.00 0.00 54.58 53.30 1q3h n ASN 538 Cb 1.52 -0.22 -0.03 0.00 -1.02 0.00 0.00 39.78 40.03 1q3h n ASN 538 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1q3h n THR 539 N 1.45 0.51 -3.10 3.41 -1.04 0.04 -4.74 114.28 110.81 1q3h n THR 539 Ca 0.19 -0.13 -0.39 0.00 -2.04 0.00 0.00 64.05 61.68 1q3h n THR 539 Cb 0.60 -1.53 -0.05 0.00 -1.82 0.00 0.00 70.33 67.53 1q3h n THR 539 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1q3h s VAL 540 N 0.39 5.07 0.01 12.58 1.01 -1.26 -1.60 120.40 136.61 1q3h s VAL 540 Ca 0.73 1.35 0.02 0.00 0.00 0.00 0.00 61.98 64.08 1q3h s VAL 540 Cb -0.65 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 31.69 1q3h s VAL 540 CO 0.44 0.27 0.00 -0.76 0.00 0.00 0.00 175.10 175.05 1q3h s LEU 541 N 0.74 3.52 0.69 3.92 1.43 0.63 -4.95 118.68 124.66 1q3h s LEU 541 Ca 0.35 -0.03 -0.09 0.00 -1.03 0.00 0.00 54.13 53.34 1q3h s LEU 541 Cb -0.17 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 44.02 1q3h s LEU 541 CO 0.17 0.26 1.03 -0.83 0.23 0.00 0.00 176.35 177.21 1q3h s GLY 542 N -1.69 1.63 0.18 -3.19 0.00 -1.26 -2.18 107.32 100.82 1q3h s GLY 542 Ca 0.21 -0.64 -0.33 0.00 0.00 0.00 0.00 44.72 43.96 1q3h s GLY 542 CO 0.12 -0.26 1.43 1.18 0.00 0.00 0.00 173.10 175.56 1q3h n GLU 543 N -2.91 1.84 0.00 2.90 -0.58 -1.26 -0.54 120.64 120.09 1q3h n GLU 543 Ca 0.07 0.66 0.00 0.00 -0.42 0.00 0.00 57.16 57.47 1q3h n GLU 543 Cb 0.59 -2.33 0.00 0.00 -0.57 0.00 0.00 31.44 29.12 1q3h n GLU 543 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1q3h n GLY 544 N 2.63 2.53 3.88 0.62 0.00 -0.37 -4.45 105.19 110.02 1q3h n GLY 544 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 1q3h n GLY 544 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q3h n GLY 545 N -2.00 -0.48 0.17 -0.02 0.00 0.30 -4.70 105.19 98.47 1q3h n GLY 545 Ca 0.00 0.25 0.04 0.00 0.00 0.00 0.00 46.02 46.31 1q3h n GLY 545 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1q3h h VAL 546 N -1.90 0.95 -0.01 1.61 2.07 -1.79 -2.42 116.25 114.76 1q3h h VAL 546 Ca -0.65 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 65.17 1q3h h VAL 546 Cb 1.37 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1q3h h VAL 546 CO 0.58 0.42 -0.29 0.35 0.02 0.00 0.00 177.57 178.65 1q3h n THR 547 N -3.51 0.00 -1.51 2.57 -2.24 -1.26 -4.86 114.28 103.46 1q3h n THR 547 Ca -0.00 -0.14 -0.30 0.00 -2.27 0.00 0.00 64.05 61.34 1q3h n THR 547 Cb 0.55 0.51 0.11 0.00 -2.10 0.00 0.00 70.33 69.40 1q3h n THR 547 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1q3h s LEU 548 N -2.50 2.40 0.60 3.22 1.02 -0.91 -5.07 118.68 117.44 1q3h s LEU 548 Ca 0.24 1.23 -0.08 0.00 0.02 0.00 0.00 54.13 55.54 1q3h s LEU 548 Cb 0.19 -3.75 -0.00 0.00 0.02 0.00 0.00 46.19 42.65 1q3h s LEU 548 CO 0.53 -2.19 0.94 -0.94 0.02 0.00 0.00 176.35 174.70 1q3h s SER 549 N -3.89 5.77 0.31 2.29 1.04 -1.26 -4.94 113.70 113.01 1q3h s SER 549 Ca 0.62 0.93 -0.01 0.00 0.48 0.00 0.00 55.95 57.97 1q3h s SER 549 Cb -0.15 -1.95 0.50 0.00 0.10 0.00 0.00 66.02 64.52 1q3h s SER 549 CO 0.54 -1.01 1.97 1.23 0.98 0.00 0.00 173.24 176.95 1q3h h GLY 550 N -0.22 1.13 1.31 7.32 0.00 -1.97 -1.82 103.07 108.80 1q3h h GLY 550 Ca -0.45 -0.41 -0.09 0.00 0.00 0.00 0.00 47.33 46.37 1q3h h GLY 550 CO 0.62 0.39 -0.09 -1.33 0.00 0.00 0.00 176.54 176.13 1q3h h GLY 551 N 1.05 0.89 0.94 4.60 0.00 -1.96 -1.60 103.07 106.99 1q3h h GLY 551 Ca 0.30 -0.66 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 1q3h h GLY 551 CO -0.07 0.61 0.10 1.46 0.00 0.00 0.00 176.54 178.63 1q3h h GLN 552 N 0.75 0.64 -0.40 4.80 4.20 -1.79 -0.99 115.11 122.32 1q3h h GLN 552 Ca 0.13 -0.15 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 1q3h h GLN 552 Cb 0.58 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1q3h h GLN 552 CO 0.04 0.66 0.00 0.00 -0.67 0.00 0.00 178.83 178.86 1q3h h ARG 553 N 0.50 0.64 -0.20 1.46 3.08 -1.24 -1.57 114.38 117.05 1q3h h ARG 553 Ca 0.13 -0.15 -0.17 0.00 0.07 0.00 0.00 59.98 59.85 1q3h h ARG 553 Cb 0.31 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1q3h h ARG 553 CO 0.00 0.65 -0.59 0.00 -1.07 0.00 0.00 179.97 178.97 1q3h h ALA 554 N 1.40 0.60 -0.13 0.04 0.00 -1.06 -0.64 119.26 119.49 1q3h h ALA 554 Ca 0.13 -0.53 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 1q3h h ALA 554 Cb 0.37 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1q3h h ALA 554 CO 0.01 0.69 -0.61 0.00 0.00 0.00 0.00 179.25 179.35 1q3h h ARG 555 N 0.48 0.44 -0.57 0.00 3.08 -0.93 0.58 114.38 117.45 1q3h h ARG 555 Ca 0.00 -0.30 -0.08 0.00 0.07 0.00 0.00 59.98 59.67 1q3h h ARG 555 Cb 1.15 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.23 1q3h h ARG 555 CO 0.11 0.91 0.03 0.82 -1.07 0.00 0.00 179.97 180.77 1q3h h ILE 556 N 0.33 1.26 -0.31 2.04 2.04 -1.25 -0.35 117.51 121.27 1q3h h ILE 556 Ca -0.01 -1.09 -0.16 0.00 1.00 0.00 0.00 64.86 64.60 1q3h h ILE 556 Cb 1.15 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1q3h h ILE 556 CO 0.11 0.39 -0.45 -1.28 0.00 0.00 0.00 178.15 176.92 1q3h h SER 557 N 0.88 0.86 0.11 1.72 0.87 -0.76 -1.66 113.55 115.58 1q3h h SER 557 Ca 0.17 -0.42 -0.01 0.00 -1.23 0.00 0.00 61.79 60.30 1q3h h SER 557 Cb 0.51 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1q3h h SER 557 CO 0.02 1.18 -0.05 0.25 -0.53 0.00 0.00 176.83 177.70 1q3h h LEU 558 N 0.63 -0.13 -0.95 2.23 6.46 0.24 -2.68 115.31 121.12 1q3h h LEU 558 Ca 0.04 0.00 0.06 0.00 -0.12 0.00 0.00 57.88 57.86 1q3h h LEU 558 Cb 1.02 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 40.92 1q3h h LEU 558 CO 0.10 -0.09 0.61 0.00 -0.62 0.00 0.00 178.44 178.43 1q3h h ALA 559 N 0.73 1.31 -0.74 1.25 0.00 -0.97 0.52 119.26 121.36 1q3h h ALA 559 Ca -0.02 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1q3h h ALA 559 Cb 0.12 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1q3h h ALA 559 CO 0.03 0.39 0.46 -0.09 0.00 0.00 0.00 179.25 180.04 1q3h h ARG 560 N 1.11 0.86 -0.07 0.00 2.43 -1.17 0.19 114.38 117.73 1q3h h ARG 560 Ca 0.41 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 59.34 1q3h h ARG 560 Cb 0.15 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1q3h h ARG 560 CO -0.17 0.57 -0.73 0.00 -1.51 0.00 0.00 179.97 178.13 1q3h h ALA 561 N 1.33 0.60 0.00 2.80 0.00 -0.89 -3.05 119.26 120.04 1q3h h ALA 561 Ca 0.30 -0.61 -0.20 0.00 0.00 0.00 0.00 54.91 54.41 1q3h h ALA 561 Cb 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1q3h h ALA 561 CO -0.13 0.77 -0.94 0.28 0.00 0.00 0.00 179.25 179.23 1q3h h VAL 562 N 0.27 1.65 -0.17 0.00 2.07 -0.63 -3.23 116.25 116.21 1q3h h VAL 562 Ca -0.03 -3.25 -0.10 0.00 0.82 0.00 0.00 66.70 64.14 1q3h h VAL 562 Cb 1.31 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 33.83 1q3h h VAL 562 CO 0.13 0.92 -0.33 0.22 0.02 0.00 0.00 177.57 178.52 1q3h h TYR 563 N 0.00 0.39 -3.51 1.57 3.20 -0.65 -3.43 116.97 114.55 1q3h h TYR 563 Ca -0.01 -0.09 -0.53 0.00 3.14 0.00 0.00 58.73 61.24 1q3h h TYR 563 Cb 1.69 -0.09 0.06 0.00 1.54 0.00 0.00 36.73 39.92 1q3h h TYR 563 CO 0.00 0.64 0.73 0.21 -1.64 0.00 0.00 178.16 178.10 1q3h s LYS 564 N -4.32 4.28 -0.27 1.82 2.20 -1.16 -4.96 119.74 117.34 1q3h s LYS 564 Ca -0.06 2.28 -0.23 0.00 -0.36 0.00 0.00 55.97 57.60 1q3h s LYS 564 Cb 0.14 -3.10 -0.01 0.00 -1.51 0.00 0.00 37.83 33.35 1q3h s LYS 564 CO 0.78 -0.37 0.78 0.34 -0.36 0.00 0.00 175.35 176.52 1q3h s ASP 565 N 0.17 6.72 0.17 1.43 3.68 -1.26 -4.99 116.67 122.59 1q3h s ASP 565 Ca 0.57 0.83 -0.10 0.00 2.13 0.00 0.00 52.55 55.98 1q3h s ASP 565 Cb -0.41 -2.41 -0.00 0.00 -1.45 0.00 0.00 42.92 38.64 1q3h s ASP 565 CO 0.46 -0.53 0.32 0.00 0.13 0.00 0.00 175.17 175.54 1q3h s ALA 566 N 2.84 -0.12 -0.02 3.66 0.00 -1.26 -4.96 121.76 121.90 1q3h s ALA 566 Ca 0.32 -0.80 0.12 0.00 0.00 0.00 0.00 51.96 51.60 1q3h s ALA 566 Cb -0.15 0.87 -0.22 0.00 0.00 0.00 0.00 23.12 23.62 1q3h s ALA 566 CO 0.10 -0.67 0.80 -0.44 0.00 0.00 0.00 175.76 175.54 1q3h h ASP 567 N 2.49 0.00 -3.40 0.00 3.32 -1.38 -3.46 116.42 113.98 1q3h h ASP 567 Ca -0.31 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.35 1q3h h ASP 567 Cb 1.23 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.43 1q3h h ASP 567 CO 0.46 0.97 -0.76 -0.22 -1.72 0.00 0.00 179.24 177.97 1q3h s LEU 568 N -6.19 0.97 -0.20 1.55 2.96 -1.06 -3.83 118.68 112.89 1q3h s LEU 568 Ca -0.03 -0.06 -0.05 0.00 -0.22 0.00 0.00 54.13 53.76 1q3h s LEU 568 Cb 0.08 -0.34 -0.03 0.00 0.50 0.00 0.00 46.19 46.41 1q3h s LEU 568 CO 0.82 -0.13 0.00 -0.31 -1.32 0.00 0.00 176.35 175.42 1q3h s TYR 569 N 1.35 3.05 -0.39 5.38 1.51 -0.44 -0.44 117.35 127.38 1q3h s TYR 569 Ca -0.05 -0.40 -0.06 0.00 -1.01 0.00 0.00 57.07 55.55 1q3h s TYR 569 Cb -0.13 -2.07 0.08 0.00 -0.11 0.00 0.00 41.96 39.72 1q3h s TYR 569 CO -0.02 -0.19 0.19 -0.51 -1.11 0.00 0.00 175.55 173.91 1q3h s LEU 570 N 0.90 4.91 -0.40 -1.29 1.43 0.32 -0.48 118.68 124.07 1q3h s LEU 570 Ca 0.01 -1.55 -0.07 0.00 -1.03 0.00 0.00 54.13 51.49 1q3h s LEU 570 Cb -0.14 -1.90 0.08 0.00 0.03 0.00 0.00 46.19 44.26 1q3h s LEU 570 CO 0.02 -0.48 0.22 -0.76 0.23 0.00 0.00 176.35 175.58 1q3h s LEU 571 N 1.33 5.01 -0.68 1.79 1.02 0.34 0.26 118.68 127.75 1q3h s LEU 571 Ca 0.03 -1.56 -0.18 0.00 0.02 0.00 0.00 54.13 52.44 1q3h s LEU 571 Cb -0.22 -1.93 0.13 0.00 0.02 0.00 0.00 46.19 44.19 1q3h s LEU 571 CO 0.00 -0.50 0.76 -0.62 0.02 0.00 0.00 176.35 176.02 1q3h s ASP 572 N 1.95 6.34 -1.25 2.29 -1.08 -0.30 -0.52 116.67 124.09 1q3h s ASP 572 Ca 0.03 -1.75 -0.08 0.00 -0.52 0.00 0.00 52.55 50.23 1q3h s ASP 572 Cb -0.22 -2.30 0.01 0.00 -1.46 0.00 0.00 42.92 38.95 1q3h s ASP 572 CO 0.01 -1.01 1.05 -1.20 0.52 0.00 0.00 175.17 174.54 1q3h n SER 573 N 5.92 -6.00 0.16 -0.34 7.64 -0.23 -3.36 113.62 117.41 1q3h n SER 573 Ca -0.01 -0.48 0.05 0.00 1.01 0.00 0.00 58.87 59.44 1q3h n SER 573 Cb 0.44 -4.63 0.49 0.00 -1.01 0.00 0.00 64.21 59.50 1q3h n SER 573 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1q3h h PRO 574 N -2.39 0.18 -3.67 1.43 0.13 -1.83 -3.37 132.00 122.47 1q3h h PRO 574 Ca -0.52 -0.02 -0.79 0.00 -0.87 0.00 0.00 66.00 63.80 1q3h h PRO 574 Cb 1.34 -0.03 -0.25 0.00 0.13 0.00 0.00 31.00 32.19 1q3h h PRO 574 CO 0.51 0.22 0.85 1.19 -0.23 0.00 0.00 178.00 180.55 1q3h n PHE 575 N -4.40 4.39 -1.51 1.56 3.72 -1.26 -4.61 117.46 115.35 1q3h n PHE 575 Ca -0.01 -3.43 0.00 0.00 -0.05 0.00 0.00 57.45 53.97 1q3h n PHE 575 Cb 0.17 -1.74 0.01 0.00 -0.94 0.00 0.00 39.48 36.98 1q3h n PHE 575 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1q3h n GLY 576 N 2.69 -0.64 2.72 1.37 0.00 -1.26 -4.82 105.19 105.25 1q3h n GLY 576 Ca 0.28 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 1q3h n GLY 576 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1q3h n TYR 577 N -0.07 -0.43 0.06 1.61 4.01 -1.26 -4.42 117.16 116.66 1q3h n TYR 577 Ca 0.01 -1.71 -0.14 0.00 -0.16 0.00 0.00 57.90 55.89 1q3h n TYR 577 Cb 0.60 -0.30 -0.05 0.00 -0.31 0.00 0.00 39.34 39.28 1q3h n TYR 577 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1q3h h LEU 578 N 0.00 0.57 -7.50 7.72 3.38 -1.99 -3.39 115.31 114.10 1q3h h LEU 578 Ca -0.26 -0.46 -0.47 0.00 0.09 0.00 0.00 57.88 56.78 1q3h h LEU 578 Cb 0.92 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1q3h h LEU 578 CO 0.42 1.25 1.60 -0.90 0.09 0.00 0.00 178.44 180.91 1q3h n ASP 579 N -3.76 3.17 0.07 -0.43 3.85 -1.26 -4.69 116.55 113.51 1q3h n ASP 579 Ca -0.07 -2.72 -0.07 0.00 -0.71 0.00 0.00 54.79 51.22 1q3h n ASP 579 Cb 0.84 -1.57 -0.08 0.00 -1.35 0.00 0.00 41.12 38.96 1q3h n ASP 579 CO 0.00 0.00 0.00 1.62 -1.01 0.00 0.00 177.20 177.81 1q3h h VAL 580 N 5.57 1.67 -0.33 2.12 3.04 -1.98 -2.49 116.25 123.85 1q3h h VAL 580 Ca 0.31 -3.21 -0.09 0.00 -1.01 0.00 0.00 66.70 62.70 1q3h h VAL 580 Cb 0.85 2.75 -0.01 0.00 -2.01 0.00 0.00 31.29 32.87 1q3h h VAL 580 CO 1.47 0.92 -0.15 -0.26 -1.01 0.00 0.00 177.57 178.54 1q3h h PHE 581 N 0.01 0.78 -0.62 3.17 -1.00 -1.96 -1.79 116.94 115.52 1q3h h PHE 581 Ca -0.02 -0.19 0.08 0.00 2.81 0.00 0.00 57.97 60.65 1q3h h PHE 581 Cb 1.68 -0.18 -0.06 0.00 3.61 0.00 0.00 35.95 41.00 1q3h h PHE 581 CO 0.00 0.89 0.29 1.15 -1.61 0.00 0.00 178.31 179.03 1q3h h THR 582 N 0.45 0.86 -0.46 -1.55 2.02 -1.93 -2.04 112.91 110.26 1q3h h THR 582 Ca 0.07 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1q3h h THR 582 Cb 0.68 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1q3h h THR 582 CO 0.05 0.10 0.28 -0.33 0.37 0.00 0.00 175.52 175.98 1q3h h GLU 583 N 0.52 0.61 -0.31 6.66 5.08 -1.02 0.18 114.58 126.29 1q3h h GLU 583 Ca 0.30 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.47 1q3h h GLU 583 Cb 0.29 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1q3h h GLU 583 CO -0.24 0.43 -0.35 0.93 -1.00 0.00 0.00 179.01 178.78 1q3h h GLU 584 N 0.62 0.79 -0.78 2.33 5.08 -0.93 -1.12 114.58 120.56 1q3h h GLU 584 Ca 0.16 -0.43 0.02 0.00 -1.00 0.00 0.00 59.36 58.12 1q3h h GLU 584 Cb -0.03 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1q3h h GLU 584 CO -0.03 1.06 0.51 1.96 -1.00 0.00 0.00 179.01 181.51 1q3h h GLN 585 N 0.55 0.99 -0.39 2.33 4.20 -0.64 -1.96 115.11 120.19 1q3h h GLN 585 Ca 0.05 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 1q3h h GLN 585 Cb 0.93 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 1q3h h GLN 585 CO 0.08 0.66 -0.00 0.28 -0.67 0.00 0.00 178.83 179.18 1q3h h VAL 586 N 1.02 1.26 -0.61 -0.54 2.07 -0.89 0.26 116.25 118.82 1q3h h VAL 586 Ca 0.30 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1q3h h VAL 586 Cb -0.06 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1q3h h VAL 586 CO -0.09 0.34 0.38 0.15 0.02 0.00 0.00 177.57 178.37 1q3h h PHE 587 N 0.51 0.79 -0.10 1.57 3.04 -1.06 0.17 116.94 121.87 1q3h h PHE 587 Ca 0.11 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.98 1q3h h PHE 587 Cb 0.47 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 38.72 1q3h h PHE 587 CO 0.04 0.53 -0.27 1.49 -2.02 0.00 0.00 178.31 178.08 1q3h h GLU 588 N 0.83 0.35 0.26 1.11 4.81 -1.17 -1.01 114.58 119.75 1q3h h GLU 588 Ca 0.22 -0.25 -0.34 0.00 -0.13 0.00 0.00 59.36 58.86 1q3h h GLU 588 Cb -0.05 0.04 0.04 0.00 0.63 0.00 0.00 28.75 29.41 1q3h h GLU 588 CO -0.04 0.87 -1.48 0.77 -0.73 0.00 0.00 179.01 178.40 1q3h h SER 589 N -0.10 0.85 0.00 1.04 0.02 -0.41 -2.11 113.55 112.84 1q3h h SER 589 Ca -0.01 -0.92 -0.14 0.00 -0.84 0.00 0.00 61.79 59.89 1q3h h SER 589 Cb 0.88 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 1q3h h SER 589 CO 0.06 1.71 -0.99 0.00 -1.14 0.00 0.00 176.83 176.47 1q3h h VAL 591 N -1.00 1.34 0.12 0.00 2.07 -1.36 -1.32 116.25 116.09 1q3h h VAL 591 Ca -0.20 -2.53 -0.33 0.00 0.82 0.00 0.00 66.70 64.45 1q3h h VAL 591 Cb 0.96 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 33.64 1q3h h VAL 591 CO -0.12 0.75 -1.74 0.00 0.02 0.00 0.00 177.57 176.48 1q3h n LYS 593 N -3.44 0.25 -0.25 0.00 5.02 -0.79 -3.51 118.16 115.43 1q3h n LYS 593 Ca -0.23 0.15 0.04 0.00 -2.02 0.00 0.00 58.31 56.26 1q3h n LYS 593 Cb 1.05 -1.00 0.18 0.00 -0.02 0.00 0.00 35.03 35.24 1q3h n LYS 593 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1q3h h LEU 594 N -0.48 0.28 -3.06 -0.35 5.85 -1.25 -2.15 115.31 114.15 1q3h h LEU 594 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1q3h h LEU 594 Cb 0.44 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1q3h h LEU 594 CO 0.00 0.11 0.00 0.23 -0.34 0.00 0.00 178.44 178.44 1q3h n MET 595 N -5.00 3.90 -0.31 1.25 2.81 -0.50 -4.61 117.12 114.66 1q3h n MET 595 Ca 0.14 -2.74 0.31 0.00 -1.81 0.00 0.00 57.70 53.60 1q3h n MET 595 Cb 0.39 -1.98 0.68 0.00 -0.71 0.00 0.00 33.22 31.61 1q3h n MET 595 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1q3h h ALA 596 N 3.98 2.83 -0.36 3.04 0.00 -1.42 0.19 119.26 127.53 1q3h h ALA 596 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1q3h h ALA 596 Cb 1.54 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1q3h h ALA 596 CO 0.30 -1.19 0.00 0.09 0.00 0.00 0.00 179.25 178.45 1q3h n ASN 597 N -4.33 3.49 -4.90 0.00 3.02 -1.26 -4.79 115.26 106.49 1q3h n ASN 597 Ca 0.25 -2.41 -0.32 0.00 -0.03 0.00 0.00 54.58 52.07 1q3h n ASN 597 Cb 1.12 -0.38 -0.05 0.00 -0.61 0.00 0.00 39.78 39.86 1q3h n ASN 597 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1q3h s LYS 598 N -1.74 3.51 -0.27 3.52 -0.14 0.67 -4.21 119.74 121.08 1q3h s LYS 598 Ca 0.33 -0.26 -0.29 0.00 -1.36 0.00 0.00 55.97 54.39 1q3h s LYS 598 Cb 0.22 -3.02 0.01 0.00 -1.68 0.00 0.00 37.83 33.37 1q3h s LYS 598 CO 0.15 0.60 1.05 0.99 -0.76 0.00 0.00 175.35 177.37 1q3h s THR 599 N -1.46 4.61 0.01 2.17 2.01 -1.25 -3.98 115.64 117.75 1q3h s THR 599 Ca 0.33 1.87 0.00 0.00 0.31 0.00 0.00 61.69 64.21 1q3h s THR 599 Cb -0.13 -4.35 -0.01 0.00 0.01 0.00 0.00 72.50 68.02 1q3h s THR 599 CO 0.23 -0.31 -0.02 0.00 -0.69 0.00 0.00 174.62 173.82 1q3h s ARG 600 N 3.39 0.22 -0.17 4.92 1.70 -0.59 -1.32 118.95 127.10 1q3h s ARG 600 Ca 0.44 -0.36 0.01 0.00 -0.47 0.00 0.00 55.73 55.35 1q3h s ARG 600 Cb -0.14 -0.00 0.02 0.00 -0.57 0.00 0.00 34.95 34.26 1q3h s ARG 600 CO 0.10 -0.01 -0.18 0.42 -1.08 0.00 0.00 175.30 174.56 1q3h s ILE 601 N -0.81 1.86 -0.22 4.99 1.01 0.36 -1.37 121.20 127.02 1q3h s ILE 601 Ca -0.08 -0.82 -0.05 0.00 0.00 0.00 0.00 60.65 59.71 1q3h s ILE 601 Cb -0.06 -1.70 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 1q3h s ILE 601 CO -0.00 0.51 -0.02 -0.22 0.00 0.00 0.00 174.94 175.20 1q3h s LEU 602 N 1.37 3.04 -0.10 2.97 2.96 -0.32 -0.51 118.68 128.10 1q3h s LEU 602 Ca 0.05 -0.33 -0.25 0.00 -0.22 0.00 0.00 54.13 53.38 1q3h s LEU 602 Cb -0.13 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 1q3h s LEU 602 CO -0.12 -0.01 0.79 -0.69 -1.32 0.00 0.00 176.35 175.01 1q3h s VAL 603 N 1.40 4.95 0.09 1.68 1.01 0.32 -0.52 120.40 129.35 1q3h s VAL 603 Ca 0.05 1.60 -0.18 0.00 0.00 0.00 0.00 61.98 63.45 1q3h s VAL 603 Cb -0.14 -4.12 0.04 0.00 0.00 0.00 0.00 36.38 32.16 1q3h s VAL 603 CO -0.01 0.15 0.44 0.28 0.00 0.00 0.00 175.10 175.96 1q3h s THR 604 N 1.40 0.05 -0.09 3.92 -1.32 -0.60 -1.07 115.64 117.93 1q3h s THR 604 Ca 0.40 -0.43 0.14 0.00 -1.21 0.00 0.00 61.69 60.58 1q3h s THR 604 Cb -0.18 -1.06 0.21 0.00 -1.51 0.00 0.00 72.50 69.96 1q3h s THR 604 CO 0.17 -0.24 1.10 -1.54 -2.21 0.00 0.00 174.62 171.90 1q3h n SER 605 N 0.06 2.05 -4.74 8.08 3.41 -1.26 -4.21 113.62 117.01 1q3h n SER 605 Ca -0.17 -2.77 -0.36 0.00 -0.26 0.00 0.00 58.87 55.31 1q3h n SER 605 Cb 0.62 -0.33 -0.08 0.00 -0.26 0.00 0.00 64.21 64.16 1q3h n SER 605 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1q3h s LYS 606 N -2.26 3.56 0.25 4.33 1.02 -1.26 -4.87 119.74 120.50 1q3h s LYS 606 Ca 0.23 -0.27 0.07 0.00 0.02 0.00 0.00 55.97 56.02 1q3h s LYS 606 Cb 0.20 -3.12 0.29 0.00 -0.52 0.00 0.00 37.83 34.69 1q3h s LYS 606 CO 0.02 0.57 1.58 0.52 -0.92 0.00 0.00 175.35 177.12 1q3h h MET 607 N 5.69 0.13 -0.86 1.68 2.86 -1.95 -2.90 114.93 119.59 1q3h h MET 607 Ca -0.47 -0.09 0.12 0.00 -2.06 0.00 0.00 59.70 57.20 1q3h h MET 607 Cb 1.19 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.80 1q3h h MET 607 CO 0.63 0.70 0.56 1.49 1.06 0.00 0.00 176.91 181.35 1q3h h GLU 608 N 0.10 0.69 0.00 1.72 4.57 -1.99 0.11 114.58 119.79 1q3h h GLU 608 Ca -0.01 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.05 1q3h h GLU 608 Cb 1.11 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.53 1q3h h GLU 608 CO 0.09 0.46 -0.38 0.45 -1.18 0.00 0.00 179.01 178.45 1q3h h HIS 609 N 0.72 0.00 -0.14 0.92 3.86 -1.93 -1.34 115.15 117.23 1q3h h HIS 609 Ca 0.42 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.42 1q3h h HIS 609 Cb 0.61 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.08 1q3h h HIS 609 CO -0.00 0.38 -0.75 -0.07 0.86 0.00 0.00 177.93 178.35 1q3h h LEU 610 N 0.00 0.80 -0.58 2.43 4.07 -1.11 -2.49 115.31 118.42 1q3h h LEU 610 Ca -0.00 -0.51 -0.15 0.00 0.08 0.00 0.00 57.88 57.29 1q3h h LEU 610 Cb 0.91 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.41 1q3h h LEU 610 CO 0.05 1.29 -0.52 0.08 -1.08 0.00 0.00 178.44 178.27 1q3h h ARG 611 N 0.46 0.51 -0.00 1.13 0.11 -0.68 -2.95 114.38 112.97 1q3h h ARG 611 Ca -0.04 -0.31 0.00 0.00 0.10 0.00 0.00 59.98 59.73 1q3h h ARG 611 Cb 1.36 0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.47 1q3h h ARG 611 CO 0.15 0.91 -0.19 1.63 0.10 0.00 0.00 179.97 182.56 1q3h n LYS 612 N -3.97 0.23 -2.42 0.08 4.76 -0.54 -4.90 118.16 111.39 1q3h n LYS 612 Ca -0.03 -0.08 -0.32 0.00 -2.87 0.00 0.00 58.31 55.01 1q3h n LYS 612 Cb 0.58 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.24 1q3h n LYS 612 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1q3h s ALA 613 N -2.83 3.03 0.08 7.82 0.00 -0.94 -4.97 121.76 123.95 1q3h s ALA 613 Ca 0.18 0.24 -0.00 0.00 0.00 0.00 0.00 51.96 52.38 1q3h s ALA 613 Cb 0.19 -3.14 -0.26 0.00 0.00 0.00 0.00 23.12 19.91 1q3h s ALA 613 CO 0.56 -0.24 1.13 -0.44 0.00 0.00 0.00 175.76 176.77 1q3h h ASP 614 N 1.02 0.28 -5.13 0.00 3.32 -1.66 -3.44 116.42 110.81 1q3h h ASP 614 Ca -0.47 -0.31 -0.11 0.00 0.02 0.00 0.00 57.03 56.16 1q3h h ASP 614 Cb 1.19 -0.09 -0.16 0.00 0.22 0.00 0.00 39.33 40.49 1q3h h ASP 614 CO 0.61 1.25 -0.47 -0.54 -1.72 0.00 0.00 179.24 178.36 1q3h s LYS 615 N -2.67 0.69 -0.04 3.56 1.02 -0.95 -4.64 119.74 116.72 1q3h s LYS 615 Ca -0.03 -0.86 0.02 0.00 0.02 0.00 0.00 55.97 55.11 1q3h s LYS 615 Cb 0.08 0.27 0.02 0.00 -0.52 0.00 0.00 37.83 37.68 1q3h s LYS 615 CO 0.86 -0.19 -0.07 0.42 -0.92 0.00 0.00 175.35 175.45 1q3h s ILE 616 N -3.19 0.69 -0.14 2.17 1.01 0.08 -0.91 121.20 120.91 1q3h s ILE 616 Ca -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 1q3h s ILE 616 Cb 0.02 -0.66 -0.02 0.00 0.01 0.00 0.00 42.46 41.81 1q3h s ILE 616 CO -0.07 0.25 -0.10 -0.22 0.00 0.00 0.00 174.94 174.80 1q3h s LEU 617 N 0.65 2.88 -0.21 2.97 0.20 -0.10 -2.35 118.68 122.73 1q3h s LEU 617 Ca -0.10 -0.28 -0.02 0.00 0.69 0.00 0.00 54.13 54.43 1q3h s LEU 617 Cb -0.13 -1.67 0.01 0.00 -0.43 0.00 0.00 46.19 43.97 1q3h s LEU 617 CO 0.01 0.15 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.48 1q3h s ILE 618 N 0.45 2.77 0.03 6.68 1.01 -0.21 -0.94 121.20 130.99 1q3h s ILE 618 Ca -0.08 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.81 1q3h s ILE 618 Cb -0.15 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 1q3h s ILE 618 CO 0.04 0.43 0.11 -0.76 0.00 0.00 0.00 174.94 174.75 1q3h s LEU 619 N 1.38 3.97 -0.23 2.97 1.02 0.73 -0.22 118.68 128.29 1q3h s LEU 619 Ca 0.04 0.13 -0.08 0.00 0.02 0.00 0.00 54.13 54.24 1q3h s LEU 619 Cb -0.14 -2.46 0.10 0.00 0.02 0.00 0.00 46.19 43.71 1q3h s LEU 619 CO -0.07 0.23 0.50 -2.28 0.02 0.00 0.00 176.35 174.75 1q3h s HIS 620 N -1.31 -0.98 -1.59 0.29 2.46 -0.33 -2.14 115.29 111.70 1q3h s HIS 620 Ca 0.27 1.80 -0.14 0.00 0.47 0.00 0.00 55.06 57.46 1q3h s HIS 620 Cb -0.12 0.48 0.11 0.00 -0.13 0.00 0.00 32.58 32.92 1q3h s HIS 620 CO 0.19 -0.54 0.82 0.94 -2.47 0.00 0.00 174.74 173.68 1q3h n GLN 621 N 5.32 -4.17 -0.65 2.88 -0.06 -1.26 -2.26 117.38 117.18 1q3h n GLN 621 Ca -0.11 0.47 0.00 0.00 -2.00 0.00 0.00 57.00 55.36 1q3h n GLN 621 Cb 0.50 -5.19 0.00 0.00 -4.06 0.00 0.00 30.24 21.49 1q3h n GLN 621 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1q3h n GLY 622 N -1.58 0.78 3.32 1.69 0.00 -1.01 -4.95 105.19 103.43 1q3h n GLY 622 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 1q3h n GLY 622 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q3h s SER 623 N -2.72 1.96 -0.66 1.61 1.04 -0.96 0.12 113.70 114.09 1q3h s SER 623 Ca 0.00 -1.14 -0.27 0.00 0.48 0.00 0.00 55.95 55.01 1q3h s SER 623 Cb 0.00 -0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.13 1q3h s SER 623 CO 0.00 -0.42 1.21 -0.55 0.98 0.00 0.00 173.24 174.46 1q3h s SER 624 N -3.28 6.30 0.31 7.02 0.15 -1.26 -1.18 113.70 121.75 1q3h s SER 624 Ca 0.25 -0.22 0.02 0.00 0.70 0.00 0.00 55.95 56.71 1q3h s SER 624 Cb 0.04 -2.55 0.51 0.00 -1.71 0.00 0.00 66.02 62.31 1q3h s SER 624 CO 0.07 -1.64 1.83 0.22 1.20 0.00 0.00 173.24 174.92 1q3h h TYR 625 N 9.76 0.63 -1.87 3.44 5.03 -0.92 -3.46 116.97 129.59 1q3h h TYR 625 Ca -0.27 -0.07 -0.01 0.00 2.58 0.00 0.00 58.73 60.96 1q3h h TYR 625 Cb 1.05 -0.18 -0.22 0.00 1.55 0.00 0.00 36.73 38.94 1q3h h TYR 625 CO 1.07 0.62 0.25 0.12 -1.32 0.00 0.00 178.16 178.90 1q3h s PHE 626 N -4.93 -0.66 -0.04 -3.82 2.19 -1.12 -4.98 117.98 104.61 1q3h s PHE 626 Ca -0.08 1.53 -0.02 0.00 0.33 0.00 0.00 56.93 58.68 1q3h s PHE 626 Cb 0.15 0.33 0.02 0.00 -1.31 0.00 0.00 43.02 42.21 1q3h s PHE 626 CO 0.78 -0.37 0.10 -0.47 1.83 0.00 0.00 175.22 177.09 1q3h s TYR 627 N 0.01 -0.10 -5.00 10.12 5.04 -1.26 -1.04 117.35 125.13 1q3h s TYR 627 Ca -0.01 0.31 0.00 0.00 -2.44 0.00 0.00 57.07 54.93 1q3h s TYR 627 Cb -0.04 -0.06 0.00 0.00 0.35 0.00 0.00 41.96 42.21 1q3h s TYR 627 CO 0.01 -0.10 0.00 0.41 -1.34 0.00 0.00 175.55 174.53 1q3h n GLY 628 N 3.70 -0.57 3.96 8.97 0.00 -0.99 -5.00 105.19 115.25 1q3h n GLY 628 Ca -0.21 -1.36 -0.26 0.00 0.00 0.00 0.00 46.02 44.19 1q3h n GLY 628 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q3h s THR 629 N -2.85 2.11 0.17 2.61 -4.23 -1.26 -0.74 115.64 111.44 1q3h s THR 629 Ca 0.00 -0.30 -0.11 0.00 -1.18 0.00 0.00 61.69 60.11 1q3h s THR 629 Cb 0.00 -2.81 0.05 0.00 1.34 0.00 0.00 72.50 71.07 1q3h s THR 629 CO 0.00 0.00 1.63 0.15 -0.54 0.00 0.00 174.62 175.86 1q3h h PHE 630 N -0.98 1.06 -0.22 3.99 3.57 -1.84 -2.31 116.94 120.20 1q3h h PHE 630 Ca -0.41 -0.18 -0.00 0.00 3.53 0.00 0.00 57.97 60.91 1q3h h PHE 630 Cb 1.26 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 1q3h h PHE 630 CO -0.47 0.95 0.13 1.03 -2.23 0.00 0.00 178.31 177.72 1q3h h SER 631 N 0.86 0.26 -0.65 0.41 0.87 -1.95 -0.67 113.55 112.68 1q3h h SER 631 Ca 0.16 -0.05 0.19 0.00 -1.23 0.00 0.00 61.79 60.86 1q3h h SER 631 Cb 0.52 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 1q3h h SER 631 CO 0.03 0.24 0.47 -0.33 -0.53 0.00 0.00 176.83 176.71 1q3h h GLU 632 N 0.27 0.00 -0.05 2.24 5.08 -1.90 -2.33 114.58 117.89 1q3h h GLU 632 Ca 0.08 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.24 1q3h h GLU 632 Cb 0.03 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.29 1q3h h GLU 632 CO -0.01 0.00 -0.73 1.25 -1.00 0.00 0.00 179.01 178.52 1q3h h LEU 633 N 0.00 0.74 -0.77 1.33 5.85 -0.56 0.13 115.31 122.01 1q3h h LEU 633 Ca 0.31 -0.70 -0.07 0.00 0.84 0.00 0.00 57.88 58.26 1q3h h LEU 633 Cb 1.26 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 1q3h h LEU 633 CO -0.00 1.33 0.14 1.56 -0.34 0.00 0.00 178.44 181.13 1q3h h GLN 634 N 0.21 1.07 0.00 1.25 4.20 -0.92 -1.65 115.11 119.27 1q3h h GLN 634 Ca -0.08 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.37 1q3h h GLN 634 Cb 1.39 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.04 1q3h h GLN 634 CO 0.15 0.96 -0.00 1.03 -0.67 0.00 0.00 178.83 180.29 1q3h h SER 635 N 1.01 -0.00 0.72 1.46 0.87 -1.43 -3.22 113.55 112.96 1q3h h SER 635 Ca 0.21 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 59.84 1q3h h SER 635 Cb 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1q3h h SER 635 CO 0.01 0.93 -0.45 0.18 -0.53 0.00 0.00 176.83 176.96 1q3h n LEU 636 N -4.64 0.50 -3.18 2.23 4.77 0.43 -4.09 117.00 113.02 1q3h n LEU 636 Ca -0.10 0.16 -0.20 0.00 -0.03 0.00 0.00 56.01 55.85 1q3h n LEU 636 Cb 0.45 -0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1q3h n LEU 636 CO 0.34 0.04 -0.22 0.54 -1.33 0.00 0.00 177.39 176.75 1q3h n ARG 637 N -1.72 1.03 0.22 3.23 5.12 -0.62 -4.98 116.66 118.95 1q3h n ARG 637 Ca 0.05 -3.42 0.07 0.00 -1.93 0.00 0.00 57.85 52.62 1q3h n ARG 637 Cb 0.37 -1.65 0.52 0.00 -1.16 0.00 0.00 32.46 30.55 1q3h n ARG 637 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1q3h h PRO 638 N 3.19 0.00 -0.12 5.56 0.13 -1.70 -1.10 132.00 137.96 1q3h h PRO 638 Ca 0.10 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.11 1q3h h PRO 638 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1q3h h PRO 638 CO 0.51 0.23 -0.37 -0.44 -0.23 0.00 0.00 178.00 177.70 1q3h h ASP 639 N 0.00 0.54 0.41 1.44 3.45 -1.92 0.63 116.42 120.97 1q3h h ASP 639 Ca -0.00 -0.60 -0.02 0.00 0.43 0.00 0.00 57.03 56.84 1q3h h ASP 639 Cb 0.46 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.08 1q3h h ASP 639 CO 0.03 1.04 -0.20 0.15 -1.57 0.00 0.00 179.24 178.69 1q3h h PHE 640 N 0.06 -0.51 -0.26 4.55 3.04 -1.87 -3.01 116.94 118.94 1q3h h PHE 640 Ca -0.01 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.92 1q3h h PHE 640 Cb 0.99 0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.66 1q3h h PHE 640 CO 0.11 -0.30 0.15 0.77 -2.02 0.00 0.00 178.31 177.02 1q3h h SER 641 N -0.58 0.32 -0.60 0.41 0.02 -1.18 -2.32 113.55 109.62 1q3h h SER 641 Ca -0.06 -0.06 0.08 0.00 -0.84 0.00 0.00 61.79 60.91 1q3h h SER 641 Cb 0.44 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.84 1q3h h SER 641 CO 0.09 0.29 0.26 -1.28 -1.14 0.00 0.00 176.83 175.05 1q3h h SER 642 N 0.32 0.32 -0.16 3.07 0.87 -0.93 0.15 113.55 117.20 1q3h h SER 642 Ca 0.09 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1q3h h SER 642 Cb 0.03 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1q3h h SER 642 CO -0.02 0.20 0.04 0.50 -0.53 0.00 0.00 176.83 177.02 1q3h h LYS 643 N 0.48 0.25 0.24 2.24 1.63 -1.34 -2.11 116.57 117.97 1q3h h LYS 643 Ca 0.29 -0.06 -0.34 0.00 -0.85 0.00 0.00 60.65 59.69 1q3h h LYS 643 Cb 0.29 -0.03 0.03 0.00 -0.60 0.00 0.00 32.23 31.92 1q3h h LYS 643 CO -0.25 0.40 -1.51 -0.07 -3.45 0.00 0.00 179.45 174.58 1q3h h LEU 644 N 0.06 0.80 0.00 5.20 4.07 -1.07 -2.82 115.31 121.55 1q3h h LEU 644 Ca 0.05 -0.92 0.00 0.00 0.08 0.00 0.00 57.88 57.08 1q3h h LEU 644 Cb 0.26 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1q3h h LEU 644 CO 0.00 1.72 0.00 0.23 -1.08 0.00 0.00 178.44 179.31 1q3h n MET 645 N -3.72 0.13 0.17 1.13 2.81 0.51 -3.34 117.12 114.81 1q3h n MET 645 Ca -0.18 0.16 0.03 0.00 -1.81 0.00 0.00 57.70 55.90 1q3h n MET 645 Cb 1.09 -1.50 0.26 0.00 -0.71 0.00 0.00 33.22 32.36 1q3h n MET 645 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1q3h h GLY 646 N 2.85 0.00 -0.99 3.03 0.00 -1.10 -3.45 103.07 103.41 1q3h h GLY 646 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 1q3h h GLY 646 CO 0.00 0.00 0.27 -0.19 0.00 0.00 0.00 176.54 176.62 1q3h s TYR 647 N -3.56 2.44 -0.19 5.60 1.51 -1.21 -5.02 117.35 116.92 1q3h s TYR 647 Ca -0.00 1.11 -0.19 0.00 -1.01 0.00 0.00 57.07 56.98 1q3h s TYR 647 Cb 0.11 -3.21 -0.15 0.00 -0.11 0.00 0.00 41.96 38.60 1q3h s TYR 647 CO 0.72 -2.33 0.15 -0.44 -1.11 0.00 0.00 175.55 172.54 1q3h h ASP 648 N -1.49 0.00 -2.07 2.29 3.32 -1.92 -3.43 116.42 113.12 1q3h h ASP 648 Ca -0.50 -0.41 -0.54 0.00 0.02 0.00 0.00 57.03 55.60 1q3h h ASP 648 Cb 1.30 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.44 1q3h h ASP 648 CO 0.58 1.28 -1.00 0.35 -1.72 0.00 0.00 179.24 178.72 1q3h n THR 649 N -4.49 0.53 -0.22 0.35 -2.24 -1.26 -4.93 114.28 102.02 1q3h n THR 649 Ca -0.25 -4.65 -0.06 0.00 -2.27 0.00 0.00 64.05 56.82 1q3h n THR 649 Cb 0.56 -1.23 0.04 0.00 -2.10 0.00 0.00 70.33 67.60 1q3h n THR 649 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1q3h h PHE 650 N 3.47 0.84 0.00 4.78 3.57 -1.91 -2.77 116.94 124.92 1q3h h PHE 650 Ca 0.11 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1q3h h PHE 650 Cb 0.82 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.29 1q3h h PHE 650 CO 0.53 0.60 0.00 -0.25 -2.23 0.00 0.00 178.31 176.95 1q3h n ASP 651 N -4.57 0.53 -1.08 0.41 9.92 -1.26 -1.19 116.55 119.31 1q3h n ASP 651 Ca 0.04 0.70 0.11 0.00 -0.53 0.00 0.00 54.79 55.12 1q3h n ASP 651 Cb 0.08 -0.79 0.19 0.00 -0.64 0.00 0.00 41.12 39.96 1q3h n ASP 651 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1q3h n GLN 652 N -2.16 2.41 -1.22 -1.24 6.02 -1.04 -4.93 117.38 115.21 1q3h n GLN 652 Ca -0.00 -2.19 -0.31 0.00 -0.01 0.00 0.00 57.00 54.49 1q3h n GLN 652 Cb 0.09 -1.48 0.11 0.00 1.02 0.00 0.00 30.24 29.98 1q3h n GLN 652 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1q3h s PHE 653 N -1.47 2.46 0.80 1.08 2.99 -0.33 -5.01 117.98 118.48 1q3h s PHE 653 Ca 0.36 1.46 -0.13 0.00 0.00 0.00 0.00 56.93 58.61 1q3h s PHE 653 Cb 0.21 -3.09 0.08 0.00 0.00 0.00 0.00 43.02 40.22 1q3h s PHE 653 CO 0.30 -2.04 1.18 0.95 -0.00 0.00 0.00 175.22 175.60 1q3h s THR 654 N -2.91 2.28 0.52 0.64 -4.23 -1.26 -4.76 115.64 105.92 1q3h s THR 654 Ca 0.62 0.12 0.23 0.00 -1.18 0.00 0.00 61.69 61.48 1q3h s THR 654 Cb -0.18 -2.50 0.29 0.00 1.34 0.00 0.00 72.50 71.45 1q3h s THR 654 CO 0.56 -0.09 2.15 -0.08 -0.54 0.00 0.00 174.62 176.62 1q3h h GLU 655 N -0.90 0.00 -0.10 3.99 4.22 -1.89 -1.16 114.58 118.73 1q3h h GLU 655 Ca -0.46 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 58.94 1q3h h GLU 655 Cb 1.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 1q3h h GLU 655 CO 0.47 0.05 -0.11 1.49 -2.18 0.00 0.00 179.01 178.73 1q3h h GLU 656 N 0.00 0.26 -0.57 1.92 4.81 -1.91 -1.82 114.58 117.27 1q3h h GLU 656 Ca -0.00 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 1q3h h GLU 656 Cb 0.12 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1q3h h GLU 656 CO 0.01 0.68 0.25 -0.09 -0.73 0.00 0.00 179.01 179.13 1q3h h ARG 657 N -0.15 0.84 -0.66 1.92 9.65 -1.81 -0.97 114.38 123.21 1q3h h ARG 657 Ca 0.02 -0.14 0.01 0.00 -1.10 0.00 0.00 59.98 58.77 1q3h h ARG 657 Cb 0.63 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 29.04 1q3h h ARG 657 CO 0.03 0.71 0.43 0.00 2.80 0.00 0.00 179.97 183.94 1q3h h ARG 658 N 0.78 0.84 -0.02 0.20 3.08 -1.22 -1.26 114.38 116.79 1q3h h ARG 658 Ca 0.19 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 60.04 1q3h h ARG 658 Cb 0.17 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1q3h h ARG 658 CO -0.02 0.56 -0.67 0.77 -1.07 0.00 0.00 179.97 179.53 1q3h h SER 659 N 0.87 0.11 -0.49 7.04 0.02 -1.18 -1.83 113.55 118.09 1q3h h SER 659 Ca 0.25 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 1q3h h SER 659 Cb -0.07 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 1q3h h SER 659 CO -0.07 0.75 0.17 0.28 -1.14 0.00 0.00 176.83 176.83 1q3h h SER 660 N 0.07 0.70 -0.41 3.07 0.02 -0.77 -0.85 113.55 115.38 1q3h h SER 660 Ca -0.01 -0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.67 1q3h h SER 660 Cb 1.20 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 1q3h h SER 660 CO 0.09 0.71 -0.03 0.40 -1.14 0.00 0.00 176.83 176.87 1q3h h ILE 661 N 0.66 1.27 -0.51 3.27 2.04 -1.11 0.84 117.51 123.97 1q3h h ILE 661 Ca 0.16 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.94 1q3h h ILE 661 Cb 0.24 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1q3h h ILE 661 CO -0.01 0.36 0.24 -0.07 0.00 0.00 0.00 178.15 178.67 1q3h h LEU 662 N 0.56 0.67 0.04 1.44 3.38 -1.26 -0.42 115.31 119.72 1q3h h LEU 662 Ca 0.11 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1q3h h LEU 662 Cb 0.52 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1q3h h LEU 662 CO 0.03 0.62 -0.02 0.74 0.09 0.00 0.00 178.44 179.89 1q3h h THR 663 N 0.68 1.05 -0.01 0.22 2.02 -0.95 0.73 112.91 116.65 1q3h h THR 663 Ca 0.18 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 1q3h h THR 663 Cb 0.12 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1q3h h THR 663 CO -0.02 0.07 -0.17 -0.33 0.37 0.00 0.00 175.52 175.44 1q3h h GLU 664 N -0.18 0.01 0.18 6.66 5.08 -0.74 -1.08 114.58 124.51 1q3h h GLU 664 Ca -0.01 -0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.05 1q3h h GLU 664 Cb 0.16 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.43 1q3h h GLU 664 CO 0.01 0.19 -1.34 1.15 -1.00 0.00 0.00 179.01 178.01 1q3h h THR 665 N 0.01 1.40 0.00 1.13 2.02 -0.79 -2.79 112.91 113.89 1q3h h THR 665 Ca 0.00 -2.88 -0.00 0.00 0.77 0.00 0.00 66.41 64.30 1q3h h THR 665 Cb 0.32 2.98 -0.00 0.00 -1.74 0.00 0.00 68.15 69.70 1q3h h THR 665 CO 0.02 0.85 -0.00 -0.07 0.37 0.00 0.00 175.52 176.69 1q3h h LEU 666 N 0.11 0.00 0.06 2.58 4.07 -0.53 -2.95 115.31 118.66 1q3h h LEU 666 Ca -0.19 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.54 1q3h h LEU 666 Cb 2.05 0.00 0.02 0.00 1.08 0.00 0.00 40.66 43.81 1q3h h LEU 666 CO 0.24 0.00 -0.96 0.03 -1.08 0.00 0.00 178.44 176.67 1q3h h ARG 667 N 0.00 0.53 0.58 1.13 3.08 -1.19 -3.37 114.38 115.14 1q3h h ARG 667 Ca -0.00 -0.66 -0.03 0.00 0.07 0.00 0.00 59.98 59.36 1q3h h ARG 667 Cb 0.59 0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.84 1q3h h ARG 667 CO 0.00 1.27 -0.33 0.00 -1.07 0.00 0.00 179.97 179.84 1q3h h ARG 668 N 0.10 -0.81 -4.99 0.04 3.08 -1.34 -3.37 114.38 107.08 1q3h h ARG 668 Ca -0.14 0.06 -0.70 0.00 0.07 0.00 0.00 59.98 59.27 1q3h h ARG 668 Cb 1.66 0.18 -0.17 0.00 0.08 0.00 0.00 29.97 31.72 1q3h h ARG 668 CO 0.18 -0.54 1.01 -0.06 -1.07 0.00 0.00 179.97 179.49 1q3h s PHE 669 N -4.97 3.21 0.00 3.04 0.08 -1.13 -5.13 117.98 113.08 1q3h s PHE 669 Ca -0.13 -1.59 0.00 0.00 0.12 0.00 0.00 56.93 55.34 1q3h s PHE 669 Cb 0.02 -4.31 0.00 0.00 -0.57 0.00 0.00 43.02 38.16 1q3h s PHE 669 CO 0.40 -1.48 0.00 -1.13 -0.10 0.00 0.00 175.22 172.91