#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q3h s GLY 391 N 0.00 1.77 -0.01 1.09 0.00 -1.26 -4.11 107.32 104.80 1q3h s GLY 391 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 43.01 1q3h s GLY 391 CO 0.00 -1.22 0.00 -1.50 0.00 0.00 0.00 173.10 170.38 1q3h s ILE 392 N -2.98 0.06 -0.04 0.90 2.07 -0.35 -4.39 121.20 116.47 1q3h s ILE 392 Ca 0.64 0.05 0.04 0.00 -1.41 0.00 0.00 60.65 59.96 1q3h s ILE 392 Cb -0.06 -0.11 -0.00 0.00 0.13 0.00 0.00 42.46 42.41 1q3h s ILE 392 CO 0.42 0.06 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.75 1q3h s ILE 393 N 0.47 1.15 -0.13 2.00 1.01 0.24 -0.21 121.20 125.72 1q3h s ILE 393 Ca -0.04 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.06 1q3h s ILE 393 Cb -0.06 -1.00 0.02 0.00 0.01 0.00 0.00 42.46 41.43 1q3h s ILE 393 CO -0.01 0.34 -0.16 -0.04 0.00 0.00 0.00 174.94 175.06 1q3h s MET 394 N 0.10 2.42 -0.32 2.79 -1.94 0.28 0.14 119.30 122.77 1q3h s MET 394 Ca -0.03 -0.62 -0.04 0.00 -1.71 0.00 0.00 55.69 53.29 1q3h s MET 394 Cb -0.10 -2.08 0.05 0.00 2.01 0.00 0.00 34.83 34.70 1q3h s MET 394 CO 0.01 -0.12 0.05 -1.21 -0.01 0.00 0.00 175.02 173.74 1q3h s GLU 395 N 1.14 2.51 -1.39 2.03 2.02 0.18 -1.45 118.70 123.74 1q3h s GLU 395 Ca -0.02 -1.24 -0.06 0.00 0.02 0.00 0.00 54.97 53.67 1q3h s GLU 395 Cb -0.14 -3.31 0.03 0.00 0.10 0.00 0.00 34.13 30.81 1q3h s GLU 395 CO -0.05 -0.65 0.85 -1.71 0.02 0.00 0.00 175.26 173.72 1q3h n ASN 396 N 4.71 -2.91 -4.73 -0.19 2.85 -1.03 -1.29 115.26 112.67 1q3h n ASN 396 Ca -0.13 -0.77 -0.41 0.00 -0.11 0.00 0.00 54.58 53.16 1q3h n ASN 396 Cb 0.44 -4.12 -0.04 0.00 1.24 0.00 0.00 39.78 37.29 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 -3.50 4.66 -0.04 3.44 1.01 -0.56 -3.57 120.40 121.84 1q3h s VAL 397 Ca 0.29 1.90 0.04 0.00 0.00 0.00 0.00 61.98 64.20 1q3h s VAL 397 Cb -0.14 -4.24 -0.00 0.00 0.00 0.00 0.00 36.38 31.99 1q3h s VAL 397 CO 0.81 0.30 -0.14 -0.89 0.00 0.00 0.00 175.10 175.18 1q3h s THR 398 N 0.18 1.21 -0.08 3.92 2.01 -0.62 -0.82 115.64 121.45 1q3h s THR 398 Ca 0.45 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.86 1q3h s THR 398 Cb -0.22 -1.05 0.02 0.00 0.01 0.00 0.00 72.50 71.26 1q3h s THR 398 CO 0.27 0.35 -0.10 0.00 -0.69 0.00 0.00 174.62 174.45 1q3h s ALA 399 N 0.05 1.19 0.16 7.40 0.00 0.23 -0.65 121.76 130.15 1q3h s ALA 399 Ca -0.03 -0.40 -0.05 0.00 0.00 0.00 0.00 51.96 51.48 1q3h s ALA 399 Cb -0.10 -0.64 -0.06 0.00 0.00 0.00 0.00 23.12 22.32 1q3h s ALA 399 CO 0.01 -0.05 0.40 -0.06 0.00 0.00 0.00 175.76 176.06 1q3h s PHE 400 N 0.99 3.47 0.09 0.00 0.08 -1.26 -0.31 117.98 121.04 1q3h s PHE 400 Ca -0.09 0.58 -0.33 0.00 0.12 0.00 0.00 56.93 57.21 1q3h s PHE 400 Cb -0.15 -2.02 -0.12 0.00 -0.57 0.00 0.00 43.02 40.16 1q3h s PHE 400 CO -0.00 0.40 1.75 0.91 -0.10 0.00 0.00 175.22 178.19 1q3h n TRP 401 N -0.02 2.45 -4.29 0.36 7.02 -0.53 -4.76 117.44 117.66 1q3h n TRP 401 Ca -0.02 0.03 -0.21 0.00 -1.02 0.00 0.00 57.50 56.28 1q3h n TRP 401 Cb 0.52 -2.65 -0.12 0.00 -2.42 0.00 0.00 31.31 26.64 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 2.34 1.14 0.13 -0.99 0.41 -1.26 -4.59 118.70 115.88 1q3h s GLU 402 Ca 0.83 -1.27 -0.33 0.00 -0.41 0.00 0.00 54.97 53.79 1q3h s GLU 402 Cb -0.60 -1.21 -0.13 0.00 -1.78 0.00 0.00 34.13 30.41 1q3h s GLU 402 CO 0.40 0.26 1.70 0.39 -0.49 0.00 0.00 175.26 177.52 1q3h n GLU 403 N 0.64 2.40 0.00 1.61 1.02 -1.26 -1.96 120.64 123.09 1q3h n GLU 403 Ca -0.16 0.87 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 1q3h n GLU 403 Cb 0.56 -2.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.29 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 3.82 3.34 0.29 0.62 0.00 -1.26 -4.91 105.19 107.09 1q3h n GLY 404 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 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 0.85 -0.78 1.61 3.04 -1.76 -2.63 116.94 117.26 1q3h h PHE 405 Ca 0.00 -0.12 -0.02 0.00 3.98 0.00 0.00 57.97 61.81 1q3h h PHE 405 Cb 0.00 -0.23 -0.04 0.00 2.56 0.00 0.00 35.95 38.24 1q3h h PHE 405 CO 0.00 0.79 0.40 0.78 -2.02 0.00 0.00 178.31 178.25 1q3h h GLY 406 N 0.97 1.19 1.10 2.40 0.00 -1.91 -1.17 103.07 105.66 1q3h h GLY 406 Ca 0.14 -0.57 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 1q3h h GLY 406 CO 0.02 0.54 0.08 -2.09 0.00 0.00 0.00 176.54 175.10 1q3h h GLU 407 N 1.09 1.09 -0.66 4.80 4.57 -1.92 -0.79 114.58 122.77 1q3h h GLU 407 Ca 0.27 -0.30 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1q3h h GLU 407 Cb 0.09 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 1q3h h GLU 407 CO -0.04 1.02 0.36 1.25 -1.18 0.00 0.00 179.01 180.41 1q3h h LEU 408 N 1.02 0.82 -1.29 1.64 7.12 -1.07 1.12 115.31 124.67 1q3h h LEU 408 Ca 0.20 -0.10 -0.01 0.00 0.13 0.00 0.00 57.88 58.10 1q3h h LEU 408 Cb 0.47 -0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 40.36 1q3h h LEU 408 CO 0.02 0.69 0.32 -0.07 -0.13 0.00 0.00 178.44 179.26 1q3h h LEU 409 N 0.90 0.71 -0.07 2.25 3.38 -1.04 -2.58 115.31 118.86 1q3h h LEU 409 Ca 0.23 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1q3h h LEU 409 Cb 0.05 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1q3h h LEU 409 CO -0.04 0.58 -0.08 -0.33 0.09 0.00 0.00 178.44 178.66 1q3h h GLU 410 N 0.81 0.19 0.00 1.13 5.08 0.45 -3.01 114.58 119.23 1q3h h GLU 410 Ca 0.21 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1q3h h GLU 410 Cb 0.02 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1q3h h GLU 410 CO -0.03 0.64 0.00 1.63 -1.00 0.00 0.00 179.01 180.24 1q3h n LYS 411 N -4.69 0.14 0.04 2.33 5.02 0.37 -5.08 118.16 116.29 1q3h n LYS 411 Ca -0.07 0.64 -0.19 0.00 -2.02 0.00 0.00 58.31 56.66 1q3h n LYS 411 Cb 0.32 -1.97 -0.13 0.00 -0.02 0.00 0.00 35.03 33.23 1q3h n LYS 411 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1q3h h VAL 412 N 0.00 1.42 -2.97 -0.18 2.07 -1.33 -3.51 116.25 111.75 1q3h h VAL 412 Ca 0.00 -2.32 -0.57 0.00 0.82 0.00 0.00 66.70 64.63 1q3h h VAL 412 Cb 0.00 2.82 -0.04 0.00 -1.52 0.00 0.00 31.29 32.55 1q3h h VAL 412 CO 0.00 0.68 0.97 -0.55 0.02 0.00 0.00 177.57 178.68 1q3h s SER 429 N -6.99 6.75 0.24 0.57 0.15 -1.26 -4.83 113.70 108.34 1q3h s SER 429 Ca -0.12 1.51 0.09 0.00 0.70 0.00 0.00 55.95 58.12 1q3h s SER 429 Cb 0.03 -2.54 0.25 0.00 -1.71 0.00 0.00 66.02 62.05 1q3h s SER 429 CO 0.85 -0.96 1.55 -0.26 1.20 0.00 0.00 173.24 175.62 1q3h h PHE 430 N 9.02 0.06 -0.10 3.44 0.04 -2.00 -3.04 116.94 124.36 1q3h h PHE 430 Ca -0.28 -0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.39 1q3h h PHE 430 Cb 1.11 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.24 1q3h h PHE 430 CO 0.85 0.71 -0.27 0.66 -0.60 0.00 0.00 178.31 179.66 1q3h h SER 431 N 0.03 0.17 -0.54 2.17 4.64 -1.99 -1.75 113.55 116.28 1q3h h SER 431 Ca -0.01 -0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 61.16 1q3h h SER 431 Cb 1.20 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 1q3h h SER 431 CO 0.09 0.45 -0.05 0.45 -0.87 0.00 0.00 176.83 176.90 1q3h h HIS 432 N 0.16 1.10 -0.12 4.77 3.86 -1.97 -0.36 115.15 122.60 1q3h h HIS 432 Ca 0.02 -0.21 -0.06 0.00 -1.16 0.00 0.00 60.37 58.97 1q3h h HIS 432 Cb 0.58 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 1q3h h HIS 432 CO 0.01 1.01 -0.18 -0.07 0.86 0.00 0.00 177.93 179.55 1q3h h LEU 433 N 0.87 0.18 0.15 2.43 3.38 -1.39 -1.73 115.31 119.20 1q3h h LEU 433 Ca 0.15 -0.04 -0.30 0.00 0.09 0.00 0.00 57.88 57.77 1q3h h LEU 433 Cb 0.61 -0.05 0.03 0.00 0.09 0.00 0.00 40.66 41.34 1q3h h LEU 433 CO 0.04 0.39 -1.31 0.00 0.09 0.00 0.00 178.44 177.64 1q3h h LEU 435 N 0.19 1.03 -0.20 0.00 4.07 -0.89 -2.59 115.31 116.93 1q3h h LEU 435 Ca -0.20 -0.35 0.00 0.00 0.08 0.00 0.00 57.88 57.41 1q3h h LEU 435 Cb 2.00 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 43.45 1q3h h LEU 435 CO 0.24 1.15 0.00 0.52 -1.08 0.00 0.00 178.44 179.27 1q3h n VAL 436 N -4.14 0.01 -3.44 1.22 0.31 -0.67 -4.92 118.33 106.71 1q3h n VAL 436 Ca 0.01 -0.05 -0.19 0.00 -0.01 0.00 0.00 64.34 64.10 1q3h n VAL 436 Cb 0.41 -0.26 0.08 0.00 -0.91 0.00 0.00 33.84 33.16 1q3h n VAL 436 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1q3h n GLY 437 N 0.98 -0.39 3.86 2.92 0.00 -0.98 -4.98 105.19 106.61 1q3h n GLY 437 Ca 0.20 0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.90 6.53 0.44 1.61 -0.87 -0.99 -4.94 114.94 112.82 1q3h s ASN 438 Ca 0.22 0.64 -0.24 0.00 -1.57 0.00 0.00 52.86 51.91 1q3h s ASN 438 Cb -0.10 -2.13 -0.08 0.00 -0.02 0.00 0.00 41.25 38.92 1q3h s ASN 438 CO 0.70 0.37 1.18 -2.16 -2.57 0.00 0.00 177.10 174.62 1q3h s PRO 439 N -1.01 3.87 -0.13 -0.60 0.04 -1.26 -1.46 135.00 134.45 1q3h s PRO 439 Ca 0.18 1.82 0.04 0.00 0.04 0.00 0.00 61.00 63.08 1q3h s PRO 439 Cb -0.14 -2.52 -0.24 0.00 0.04 0.00 0.00 34.50 31.65 1q3h s PRO 439 CO 0.07 -0.47 0.34 1.55 0.04 0.00 0.00 177.00 178.52 1q3h n VAL 440 N -0.26 1.63 -4.14 -0.36 3.14 0.58 -4.78 118.33 114.14 1q3h n VAL 440 Ca 0.06 -0.72 -0.17 0.00 -2.96 0.00 0.00 64.34 60.55 1q3h n VAL 440 Cb 0.47 -1.28 -0.15 0.00 -1.06 0.00 0.00 33.84 31.82 1q3h n VAL 440 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1q3h s LEU 441 N -6.44 1.74 -0.05 6.55 1.43 -1.12 -4.24 118.68 116.55 1q3h s LEU 441 Ca -0.17 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 1q3h s LEU 441 Cb 0.07 -0.31 0.01 0.00 0.03 0.00 0.00 46.19 45.99 1q3h s LEU 441 CO 0.77 0.02 -0.11 -0.75 0.23 0.00 0.00 176.35 176.51 1q3h s LYS 442 N 0.27 1.37 -1.43 1.70 2.20 -0.36 -0.60 119.74 122.90 1q3h s LYS 442 Ca -0.03 -0.35 -0.05 0.00 -0.36 0.00 0.00 55.97 55.18 1q3h s LYS 442 Cb -0.07 -1.20 0.03 0.00 -1.51 0.00 0.00 37.83 35.09 1q3h s LYS 442 CO -0.00 0.05 0.67 0.09 -0.36 0.00 0.00 175.35 175.80 1q3h n ASN 443 N 3.64 -1.83 -4.72 1.43 3.02 -0.58 -4.34 115.26 111.89 1q3h n ASN 443 Ca -0.22 -0.89 -0.41 0.00 -0.03 0.00 0.00 54.58 53.03 1q3h n ASN 443 Cb 0.52 -3.56 -0.04 0.00 -0.61 0.00 0.00 39.78 36.10 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 -3.66 4.86 -0.05 2.41 -1.09 -0.00 -4.71 121.20 118.96 1q3h s ILE 444 Ca 0.21 1.92 0.03 0.00 -2.23 0.00 0.00 60.65 60.58 1q3h s ILE 444 Cb -0.11 -4.25 0.01 0.00 -1.58 0.00 0.00 42.46 36.52 1q3h s ILE 444 CO 0.85 0.21 -0.12 0.20 -1.23 0.00 0.00 174.94 174.85 1q3h s ASN 445 N 0.79 1.70 -0.00 3.58 0.01 -1.26 -1.50 114.94 118.25 1q3h s ASN 445 Ca 0.48 -0.28 -0.26 0.00 -0.71 0.00 0.00 52.86 52.09 1q3h s ASN 445 Cb -0.21 -0.61 0.06 0.00 0.41 0.00 0.00 41.25 40.90 1q3h s ASN 445 CO 0.26 0.07 0.59 -1.48 -1.51 0.00 0.00 177.10 175.03 1q3h s LEU 446 N 0.37 -0.32 -0.27 0.60 0.05 -0.53 -4.95 118.68 113.63 1q3h s LEU 446 Ca -0.08 0.45 -0.03 0.00 0.05 0.00 0.00 54.13 54.51 1q3h s LEU 446 Cb -0.13 2.28 0.11 0.00 -2.05 0.00 0.00 46.19 46.40 1q3h s LEU 446 CO 0.02 -0.65 0.18 0.21 -0.55 0.00 0.00 176.35 175.56 1q3h s ASN 447 N -1.53 2.81 -0.16 1.48 3.84 -1.26 -0.56 114.94 119.56 1q3h s ASN 447 Ca -0.09 -1.02 -0.02 0.00 0.21 0.00 0.00 52.86 51.94 1q3h s ASN 447 Cb -0.01 -0.07 -0.01 0.00 -0.55 0.00 0.00 41.25 40.61 1q3h s ASN 447 CO 0.04 -0.41 -0.09 -0.63 -2.79 0.00 0.00 177.10 173.23 1q3h s ILE 448 N 2.19 3.28 0.52 -5.21 -1.09 0.70 -5.00 121.20 116.58 1q3h s ILE 448 Ca 0.08 -0.56 -0.19 0.00 -2.23 0.00 0.00 60.65 57.75 1q3h s ILE 448 Cb -0.15 -2.43 -0.07 0.00 -1.58 0.00 0.00 42.46 38.23 1q3h s ILE 448 CO -0.32 0.49 1.04 -1.61 -1.23 0.00 0.00 174.94 173.31 1q3h s GLU 449 N 0.73 3.66 0.09 2.79 0.41 -1.26 -1.22 118.70 123.90 1q3h s GLU 449 Ca -0.04 1.31 -0.36 0.00 -0.41 0.00 0.00 54.97 55.47 1q3h s GLU 449 Cb -0.15 -2.08 -0.17 0.00 -1.78 0.00 0.00 34.13 29.95 1q3h s GLU 449 CO 0.02 -0.54 1.17 1.63 -0.49 0.00 0.00 175.26 177.05 1q3h n LYS 450 N -1.29 0.75 -0.15 1.61 5.02 -1.26 -1.23 118.16 121.60 1q3h n LYS 450 Ca 0.09 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 1q3h n LYS 450 Cb 0.53 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1q3h n LYS 450 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q3h n GLY 451 N 2.07 1.87 3.90 0.72 0.00 -1.26 -4.90 105.19 107.59 1q3h n GLY 451 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.28 3.56 -0.19 1.61 2.02 -0.36 -4.43 118.70 120.62 1q3h s GLU 452 Ca 0.00 0.35 -0.03 0.00 0.02 0.00 0.00 54.97 55.31 1q3h s GLU 452 Cb 0.00 -2.29 -0.01 0.00 0.10 0.00 0.00 34.13 31.93 1q3h s GLU 452 CO 0.00 -0.31 -0.07 1.41 0.02 0.00 0.00 175.26 176.31 1q3h s MET 453 N -4.86 3.39 -0.25 1.61 -2.45 -1.26 -1.64 119.30 113.84 1q3h s MET 453 Ca 0.49 -0.64 -0.14 0.00 -1.25 0.00 0.00 55.69 54.16 1q3h s MET 453 Cb -0.10 -2.89 -0.04 0.00 1.25 0.00 0.00 34.83 33.04 1q3h s MET 453 CO 0.47 -0.07 0.31 -1.17 1.05 0.00 0.00 175.02 175.62 1q3h s LEU 454 N 1.12 4.08 -0.22 4.11 0.20 0.08 -1.80 118.68 126.25 1q3h s LEU 454 Ca 0.01 0.28 -0.14 0.00 0.69 0.00 0.00 54.13 54.97 1q3h s LEU 454 Cb -0.15 -2.34 -0.04 0.00 -0.43 0.00 0.00 46.19 43.23 1q3h s LEU 454 CO -0.01 -0.08 0.33 0.00 -0.29 0.00 0.00 176.35 176.29 1q3h s ALA 455 N 1.61 3.57 -0.18 5.97 0.00 -0.08 -0.85 121.76 131.80 1q3h s ALA 455 Ca 0.14 -0.67 -0.04 0.00 0.00 0.00 0.00 51.96 51.38 1q3h s ALA 455 Cb -0.15 -2.56 -0.02 0.00 0.00 0.00 0.00 23.12 20.39 1q3h s ALA 455 CO 0.08 -0.33 -0.04 0.42 0.00 0.00 0.00 175.76 175.89 1q3h s ILE 456 N 1.37 3.67 0.23 0.00 1.01 -0.24 -0.67 121.20 126.57 1q3h s ILE 456 Ca 0.15 -0.42 0.05 0.00 0.00 0.00 0.00 60.65 60.43 1q3h s ILE 456 Cb -0.15 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 1q3h s ILE 456 CO 0.07 0.46 0.16 1.07 0.00 0.00 0.00 174.94 176.70 1q3h n THR 457 N 4.07 0.00 -2.04 2.92 5.66 -0.30 -0.70 114.28 123.90 1q3h n THR 457 Ca -0.18 -1.61 0.00 0.00 -3.05 0.00 0.00 64.05 59.22 1q3h n THR 457 Cb 0.52 0.74 0.00 0.00 -1.55 0.00 0.00 70.33 70.04 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 -0.25 -2.09 3.83 1.09 0.00 -1.26 -0.48 105.19 106.03 1q3h n GLY 458 Ca 0.03 -1.25 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.07 4.81 0.30 1.61 1.04 -0.82 -4.67 113.70 113.91 1q3h s SER 459 Ca 0.00 1.23 -0.29 0.00 0.48 0.00 0.00 55.95 57.37 1q3h s SER 459 Cb 0.00 -1.97 -0.10 0.00 0.10 0.00 0.00 66.02 64.05 1q3h s SER 459 CO 0.00 -1.76 1.26 0.42 0.98 0.00 0.00 173.24 174.14 1q3h s THR 460 N -3.24 2.94 -0.73 2.02 -4.23 -1.26 -2.57 115.64 108.57 1q3h s THR 460 Ca 0.60 0.93 0.00 0.00 -1.18 0.00 0.00 61.69 62.04 1q3h s THR 460 Cb -0.13 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.12 1q3h s THR 460 CO 0.53 0.21 0.00 0.61 -0.54 0.00 0.00 174.62 175.43 1q3h n GLY 461 N 1.08 0.58 0.05 3.99 0.00 -1.26 -4.93 105.19 104.70 1q3h n GLY 461 Ca 0.00 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.49 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 0.70 0.63 0.00 1.61 3.41 -1.06 -4.71 113.62 114.20 1q3h n SER 462 Ca -0.08 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1q3h n SER 462 Cb 0.38 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 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 1.37 1.43 0.22 5.00 0.00 -1.26 -0.59 105.19 111.37 1q3h n GLY 463 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 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 0.69 -0.40 -0.67 1.61 1.57 -1.91 -1.01 116.57 116.44 1q3h h LYS 464 Ca 0.00 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1q3h h LYS 464 Cb 0.00 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1q3h h LYS 464 CO 0.00 -0.27 0.30 1.15 -0.57 0.00 0.00 179.45 180.07 1q3h h THR 465 N -0.41 1.22 -0.41 -0.16 2.02 -2.01 -2.77 112.91 110.39 1q3h h THR 465 Ca -0.01 -0.65 -0.05 0.00 0.77 0.00 0.00 66.41 66.48 1q3h h THR 465 Cb 0.37 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1q3h h THR 465 CO -0.02 0.27 0.06 0.28 0.37 0.00 0.00 175.52 176.48 1q3h h SER 466 N 0.95 0.59 -0.69 4.18 0.02 -1.85 -1.38 113.55 115.37 1q3h h SER 466 Ca 0.23 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1q3h h SER 466 Cb 0.13 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1q3h h SER 466 CO -0.03 0.62 0.23 0.25 -1.14 0.00 0.00 176.83 176.77 1q3h h LEU 467 N 0.61 1.00 -0.34 5.07 5.85 -0.91 -0.97 115.31 125.62 1q3h h LEU 467 Ca 0.13 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1q3h h LEU 467 Cb 0.30 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1q3h h LEU 467 CO 0.00 0.92 0.17 -0.07 -0.34 0.00 0.00 178.44 179.13 1q3h h LEU 468 N 1.04 0.44 -1.35 2.25 4.07 -1.26 -2.27 115.31 118.24 1q3h h LEU 468 Ca 0.23 -0.12 0.10 0.00 0.08 0.00 0.00 57.88 58.17 1q3h h LEU 468 Cb 0.27 -0.11 -0.06 0.00 1.08 0.00 0.00 40.66 41.84 1q3h h LEU 468 CO -0.01 0.43 0.52 0.24 -1.08 0.00 0.00 178.44 178.55 1q3h h MET 469 N 0.42 0.70 -0.23 1.13 2.86 -0.77 0.53 114.93 119.57 1q3h h MET 469 Ca 0.12 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1q3h h MET 469 Cb 0.10 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1q3h h MET 469 CO -0.02 0.46 0.15 1.25 1.06 0.00 0.00 176.91 179.82 1q3h h LEU 470 N 0.72 0.27 -1.26 1.22 5.85 -0.70 0.13 115.31 121.54 1q3h h LEU 470 Ca 0.37 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 59.05 1q3h h LEU 470 Cb 0.47 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1q3h h LEU 470 CO -0.14 0.20 0.20 0.40 -0.34 0.00 0.00 178.44 178.75 1q3h h ILE 471 N 0.31 1.18 0.00 4.05 2.04 -0.66 -2.19 117.51 122.24 1q3h h ILE 471 Ca 0.08 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1q3h h ILE 471 Cb -0.03 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1q3h h ILE 471 CO -0.02 0.22 0.00 -0.07 0.00 0.00 0.00 178.15 178.29 1q3h h LEU 472 N 0.70 0.00 0.00 1.44 3.38 -0.23 -3.47 115.31 117.13 1q3h h LEU 472 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1q3h h LEU 472 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1q3h h LEU 472 CO -0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.12 1q3h n GLY 473 N 0.85 0.75 0.16 0.83 0.00 0.31 -4.92 105.19 103.18 1q3h n GLY 473 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 2.76 0.00 -5.67 1.61 4.39 -1.45 -3.43 114.58 112.79 1q3h h GLU 474 Ca 0.00 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.06 1q3h h GLU 474 Cb 0.00 0.00 -0.32 0.00 -0.10 0.00 0.00 28.75 28.33 1q3h h GLU 474 CO 0.00 0.00 -0.87 -1.17 -1.16 0.00 0.00 179.01 175.81 1q3h s LEU 475 N -5.45 2.01 0.08 1.33 2.96 -1.15 -4.95 118.68 113.51 1q3h s LEU 475 Ca 0.08 -0.46 -0.19 0.00 -0.22 0.00 0.00 54.13 53.34 1q3h s LEU 475 Cb 0.08 -1.24 -0.07 0.00 0.50 0.00 0.00 46.19 45.47 1q3h s LEU 475 CO 0.65 0.20 0.57 -1.83 -1.32 0.00 0.00 176.35 174.63 1q3h s GLU 476 N -0.01 4.19 -0.73 1.98 1.03 -1.26 -4.45 118.70 119.45 1q3h s GLU 476 Ca -0.06 0.73 -0.21 0.00 0.03 0.00 0.00 54.97 55.46 1q3h s GLU 476 Cb -0.14 -3.21 0.09 0.00 -0.80 0.00 0.00 34.13 30.07 1q3h s GLU 476 CO 0.04 0.62 1.00 0.00 -1.33 0.00 0.00 175.26 175.59 1q3h s ALA 477 N -1.14 3.20 0.19 -0.84 0.00 -1.26 -4.33 121.76 117.58 1q3h s ALA 477 Ca 0.30 -2.13 0.20 0.00 0.00 0.00 0.00 51.96 50.32 1q3h s ALA 477 Cb -0.19 -3.90 0.78 0.00 0.00 0.00 0.00 23.12 19.81 1q3h s ALA 477 CO 0.19 -2.81 1.78 0.77 0.00 0.00 0.00 175.76 175.69 1q3h h SER 478 N 9.34 0.00 -4.95 0.00 0.02 -1.26 -3.43 113.55 113.28 1q3h h SER 478 Ca -0.16 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.61 1q3h h SER 478 Cb 1.06 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.43 1q3h h SER 478 CO 1.16 0.33 -0.70 -1.61 -1.14 0.00 0.00 176.83 174.87 1q3h s GLU 479 N -3.69 0.62 0.17 3.45 2.02 -0.52 -4.98 118.70 115.76 1q3h s GLU 479 Ca -0.00 -1.10 0.00 0.00 0.02 0.00 0.00 54.97 53.89 1q3h s GLU 479 Cb 0.11 0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.35 1q3h s GLU 479 CO 0.67 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 176.31 1q3h n GLY 480 N 0.48 -2.80 3.05 -1.39 0.00 -1.23 -1.58 105.19 101.71 1q3h n GLY 480 Ca -0.16 -1.75 -0.26 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.72 1.25 -0.09 -0.61 1.01 -0.41 -4.89 121.20 116.73 1q3h s ILE 481 Ca 0.00 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.14 1q3h s ILE 481 Cb 0.00 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.34 1q3h s ILE 481 CO 0.00 0.38 -0.19 -0.51 0.00 0.00 0.00 174.94 174.62 1q3h s ILE 482 N 0.64 1.70 -0.14 2.92 2.07 -1.26 0.51 121.20 127.64 1q3h s ILE 482 Ca -0.15 -0.80 0.01 0.00 -1.41 0.00 0.00 60.65 58.30 1q3h s ILE 482 Cb -0.16 -1.50 0.02 0.00 0.13 0.00 0.00 42.46 40.95 1q3h s ILE 482 CO 0.04 0.48 -0.16 -0.54 -1.91 0.00 0.00 174.94 172.85 1q3h s LYS 483 N 0.57 2.41 0.06 3.50 1.02 0.12 -4.99 119.74 122.44 1q3h s LYS 483 Ca -0.15 -0.62 -0.25 0.00 0.02 0.00 0.00 55.97 54.98 1q3h s LYS 483 Cb -0.17 -2.11 0.06 0.00 -0.52 0.00 0.00 37.83 35.09 1q3h s LYS 483 CO 0.05 -0.15 0.58 -3.38 -0.92 0.00 0.00 175.35 171.53 1q3h s HIS 484 N 1.22 -0.51 0.21 3.18 -3.43 -1.26 -0.59 115.29 114.10 1q3h s HIS 484 Ca -0.00 0.59 0.07 0.00 -0.80 0.00 0.00 55.06 54.92 1q3h s HIS 484 Cb -0.14 0.42 -0.05 0.00 -1.43 0.00 0.00 32.58 31.39 1q3h s HIS 484 CO -0.07 -0.70 -0.13 -1.54 -2.00 0.00 0.00 174.74 170.31 1q3h s SER 485 N -2.02 2.53 0.00 7.38 1.04 -1.26 -5.10 113.70 116.27 1q3h s SER 485 Ca -0.05 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1q3h s SER 485 Cb -0.01 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.99 1q3h s SER 485 CO -0.02 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1q3h n GLY 486 N -0.39 0.03 3.75 7.32 0.00 -1.26 -4.67 105.19 109.97 1q3h n GLY 486 Ca -0.08 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.34 4.33 -0.01 1.61 0.52 -1.26 -4.86 118.95 117.94 1q3h s ARG 487 Ca 0.00 2.21 0.04 0.00 -0.52 0.00 0.00 55.73 57.46 1q3h s ARG 487 Cb 0.00 -3.12 -0.03 0.00 0.52 0.00 0.00 34.95 32.32 1q3h s ARG 487 CO 0.00 -0.31 -0.11 0.54 0.02 0.00 0.00 175.30 175.44 1q3h s VAL 488 N -0.30 3.31 -0.12 3.52 0.11 -1.26 -0.53 120.40 125.14 1q3h s VAL 488 Ca 0.56 -0.82 0.00 0.00 -2.93 0.00 0.00 61.98 58.79 1q3h s VAL 488 Cb -0.40 -2.38 -0.02 0.00 -1.53 0.00 0.00 36.38 32.05 1q3h s VAL 488 CO 0.45 0.46 -0.13 -0.55 -3.33 0.00 0.00 175.10 171.99 1q3h s SER 489 N -1.18 4.03 -0.14 3.54 0.15 0.39 -4.98 113.70 115.51 1q3h s SER 489 Ca 0.15 -0.30 0.02 0.00 0.70 0.00 0.00 55.95 56.51 1q3h s SER 489 Cb -0.11 -1.49 0.01 0.00 -1.71 0.00 0.00 66.02 62.72 1q3h s SER 489 CO 0.05 0.20 -0.20 0.12 1.20 0.00 0.00 173.24 174.60 1q3h s PHE 490 N 0.16 2.70 -0.34 3.44 5.36 -1.26 -0.12 117.98 127.91 1q3h s PHE 490 Ca -0.07 -1.26 -0.04 0.00 -0.96 0.00 0.00 56.93 54.59 1q3h s PHE 490 Cb -0.15 -1.83 0.06 0.00 -0.34 0.00 0.00 43.02 40.76 1q3h s PHE 490 CO 0.05 -0.57 0.10 0.00 -1.46 0.00 0.00 175.22 173.33 1q3h s SER 492 N 1.49 5.66 0.22 0.00 1.04 -1.26 -0.16 113.70 120.68 1q3h s SER 492 Ca -0.01 1.55 -0.08 0.00 0.48 0.00 0.00 55.95 57.89 1q3h s SER 492 Cb -0.20 -2.48 0.33 0.00 0.10 0.00 0.00 66.02 63.76 1q3h s SER 492 CO 0.00 -1.26 1.72 1.56 0.98 0.00 0.00 173.24 176.24 1q3h h GLN 493 N -0.59 0.32 -6.37 4.02 4.20 -1.86 -3.40 115.11 111.44 1q3h h GLN 493 Ca -0.44 -0.02 -0.55 0.00 0.06 0.00 0.00 58.65 57.71 1q3h h GLN 493 Cb 1.20 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 1q3h h GLN 493 CO 0.58 0.21 0.65 0.12 -0.67 0.00 0.00 178.83 179.73 1q3h s PHE 494 N -6.08 3.26 -0.62 2.96 5.36 -1.26 -4.98 117.98 116.61 1q3h s PHE 494 Ca -0.13 1.24 -0.20 0.00 -0.96 0.00 0.00 56.93 56.88 1q3h s PHE 494 Cb 0.18 -3.42 0.10 0.00 -0.34 0.00 0.00 43.02 39.54 1q3h s PHE 494 CO 0.75 -1.31 0.79 -1.12 -1.46 0.00 0.00 175.22 172.86 1q3h s SER 495 N 1.37 6.20 0.12 6.13 0.01 -1.26 -5.04 113.70 121.23 1q3h s SER 495 Ca 0.57 -1.36 -0.19 0.00 1.31 0.00 0.00 55.95 56.29 1q3h s SER 495 Cb -0.26 -2.33 -0.07 0.00 0.21 0.00 0.00 66.02 63.56 1q3h s SER 495 CO 0.24 -1.19 0.60 -1.66 0.41 0.00 0.00 173.24 171.64 1q3h s TRP 496 N 3.02 3.75 -0.08 2.43 1.48 -1.26 -4.91 118.94 123.36 1q3h s TRP 496 Ca 0.15 1.27 0.02 0.00 -1.06 0.00 0.00 56.10 56.48 1q3h s TRP 496 Cb -0.21 -2.50 0.01 0.00 -1.16 0.00 0.00 33.47 29.61 1q3h s TRP 496 CO 0.06 0.51 -0.13 0.42 -4.06 0.00 0.00 176.95 173.76 1q3h s ILE 497 N -1.25 1.23 0.14 0.66 -1.09 -1.26 -4.80 121.20 114.82 1q3h s ILE 497 Ca 0.33 -0.51 0.02 0.00 -2.23 0.00 0.00 60.65 58.26 1q3h s ILE 497 Cb -0.18 -1.13 -0.04 0.00 -1.58 0.00 0.00 42.46 39.53 1q3h s ILE 497 CO 0.20 0.38 0.28 0.00 -1.23 0.00 0.00 174.94 174.57 1q3h s MET 498 N 0.84 3.45 0.27 2.79 0.23 -1.26 -2.42 119.30 123.20 1q3h s MET 498 Ca -0.11 -0.56 -0.30 0.00 -1.03 0.00 0.00 55.69 53.70 1q3h s MET 498 Cb -0.15 -2.97 -0.14 0.00 -1.53 0.00 0.00 34.83 30.04 1q3h s MET 498 CO 0.02 0.53 1.25 -2.30 -2.03 0.00 0.00 175.02 172.48 1q3h n PRO 499 N -0.43 1.77 0.00 3.16 -0.02 -1.26 -4.55 135.00 133.67 1q3h n PRO 499 Ca -0.07 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1q3h n PRO 499 Cb 0.54 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 1.56 1.74 3.74 -1.23 0.00 -1.13 -4.94 105.19 104.92 1q3h n GLY 500 Ca 0.10 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.37 2.01 0.15 2.61 -4.23 -1.26 -1.64 115.64 111.91 1q3h s THR 501 Ca 0.00 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.34 1q3h s THR 501 Cb 0.00 -2.65 -0.00 0.00 1.34 0.00 0.00 72.50 71.19 1q3h s THR 501 CO 0.00 -0.00 1.78 0.40 -0.54 0.00 0.00 174.62 176.26 1q3h h ILE 502 N -1.67 1.01 -0.18 2.99 2.04 -1.24 -0.80 117.51 119.66 1q3h h ILE 502 Ca -0.52 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.24 1q3h h ILE 502 Cb 1.33 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 1q3h h ILE 502 CO 0.60 0.07 -0.02 0.50 0.00 0.00 0.00 178.15 179.31 1q3h h LYS 503 N 0.38 0.03 -0.25 2.37 3.64 -1.52 -1.69 116.57 119.53 1q3h h LYS 503 Ca 0.14 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1q3h h LYS 503 Cb 0.03 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1q3h h LYS 503 CO -0.08 0.02 0.17 0.93 -2.27 0.00 0.00 179.45 178.22 1q3h h GLU 504 N 0.04 0.24 -0.31 1.90 5.08 -1.76 -1.09 114.58 118.68 1q3h h GLU 504 Ca 0.09 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.26 1q3h h GLU 504 Cb 0.12 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1q3h h GLU 504 CO -0.16 0.16 -0.48 -0.91 -1.00 0.00 0.00 179.01 176.61 1q3h h ASN 505 N 0.25 0.92 0.38 1.42 2.35 -0.51 -2.35 115.58 118.03 1q3h h ASN 505 Ca 0.10 -0.46 -0.12 0.00 -0.55 0.00 0.00 56.30 55.27 1q3h h ASN 505 Cb 0.11 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1q3h h ASN 505 CO -0.02 1.24 -0.53 0.40 -1.65 0.00 0.00 177.43 176.87 1q3h h ILE 506 N 0.66 1.37 -0.61 2.81 2.04 -0.43 -3.16 117.51 120.18 1q3h h ILE 506 Ca 0.03 -1.81 0.00 0.00 1.00 0.00 0.00 64.86 64.08 1q3h h ILE 506 Cb 1.07 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1q3h h ILE 506 CO 0.11 0.53 0.00 -0.38 0.00 0.00 0.00 178.15 178.41 1q3h n ILE 507 N -3.92 0.84 -1.58 -0.67 -0.00 -0.50 -4.19 119.36 109.34 1q3h n ILE 507 Ca -0.02 -0.92 -0.50 0.00 -0.00 0.00 0.00 62.75 61.31 1q3h n ILE 507 Cb 0.56 0.65 -0.06 0.00 -0.00 0.00 0.00 39.64 40.79 1q3h n ILE 507 CO 0.00 0.00 0.00 0.33 -0.00 0.00 0.00 176.55 176.88 1q3h n PHE 508 N 1.56 1.96 -1.00 1.39 7.35 -0.89 -1.09 117.46 126.74 1q3h n PHE 508 Ca 0.22 0.19 -0.00 0.00 -0.76 0.00 0.00 57.45 57.10 1q3h n PHE 508 Cb 0.61 -2.58 -0.00 0.00 0.35 0.00 0.00 39.48 37.86 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 5.37 0.46 3.22 7.13 0.00 -1.26 -5.00 105.19 115.10 1q3h n GLY 509 Ca 0.31 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.92 1.01 0.19 1.61 1.01 -0.25 -5.14 120.40 116.91 1q3h s VAL 510 Ca 0.00 -1.96 -0.20 0.00 0.00 0.00 0.00 61.98 59.82 1q3h s VAL 510 Cb 0.00 -1.73 -0.08 0.00 0.00 0.00 0.00 36.38 34.58 1q3h s VAL 510 CO 0.00 -0.75 0.69 -0.94 0.00 0.00 0.00 175.10 174.10 1q3h s SER 511 N -3.02 7.07 0.15 3.32 1.04 -1.26 -4.92 113.70 116.08 1q3h s SER 511 Ca 0.14 1.38 -0.31 0.00 0.48 0.00 0.00 55.95 57.64 1q3h s SER 511 Cb 0.02 -2.40 -0.08 0.00 0.10 0.00 0.00 66.02 63.66 1q3h s SER 511 CO -0.01 0.09 1.36 -0.47 0.98 0.00 0.00 173.24 175.19 1q3h s TYR 512 N -1.42 3.24 -0.06 5.02 5.04 -1.26 -5.03 117.35 122.89 1q3h s TYR 512 Ca 0.40 1.05 -0.01 0.00 -2.44 0.00 0.00 57.07 56.07 1q3h s TYR 512 Cb -0.18 -3.65 0.03 0.00 0.35 0.00 0.00 41.96 38.51 1q3h s TYR 512 CO 0.21 -2.20 0.02 0.34 -1.34 0.00 0.00 175.55 172.58 1q3h s ASP 513 N 0.82 1.41 0.10 4.32 -1.08 -1.26 -5.08 116.67 115.89 1q3h s ASP 513 Ca 0.62 -0.03 -0.24 0.00 -0.52 0.00 0.00 52.55 52.37 1q3h s ASP 513 Cb -0.37 -0.34 -0.12 0.00 -1.46 0.00 0.00 42.92 40.63 1q3h s ASP 513 CO 0.33 -0.21 1.70 -0.08 0.52 0.00 0.00 175.17 177.44 1q3h h GLU 514 N 8.32 -0.19 -0.63 4.34 4.81 -1.99 0.49 114.58 129.73 1q3h h GLU 514 Ca -0.18 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1q3h h GLU 514 Cb 1.12 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 1q3h h GLU 514 CO 0.23 -0.13 0.40 1.88 -0.73 0.00 0.00 179.01 180.67 1q3h h TYR 515 N -0.20 0.76 -0.44 0.92 -1.99 -1.99 -1.04 116.97 112.99 1q3h h TYR 515 Ca 0.01 0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.68 1q3h h TYR 515 Cb 0.20 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 38.66 1q3h h TYR 515 CO -0.12 0.46 -0.01 -0.09 -0.00 0.00 0.00 178.16 178.40 1q3h h ARG 516 N 0.81 0.78 0.45 4.88 2.43 -1.87 -2.20 114.38 119.66 1q3h h ARG 516 Ca 0.24 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1q3h h ARG 516 Cb -0.05 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1q3h h ARG 516 CO -0.07 0.85 -0.21 -0.92 -1.51 0.00 0.00 179.97 178.11 1q3h h TYR 517 N 0.62 -0.55 -0.52 2.20 3.20 -0.57 -1.04 116.97 120.31 1q3h h TYR 517 Ca 0.12 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.01 1q3h h TYR 517 Cb 0.51 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.94 1q3h h TYR 517 CO 0.04 -0.24 0.35 0.87 -1.64 0.00 0.00 178.16 177.54 1q3h h LYS 518 N -0.86 0.56 -0.15 1.82 1.57 -1.23 0.22 116.57 118.50 1q3h h LYS 518 Ca -0.06 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 1q3h h LYS 518 Cb 0.57 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1q3h h LYS 518 CO 0.10 0.37 -0.19 1.03 -0.57 0.00 0.00 179.45 180.19 1q3h h SER 519 N 0.58 0.43 -0.26 0.86 0.87 -1.31 -1.78 113.55 112.95 1q3h h SER 519 Ca 0.21 -0.50 -0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1q3h h SER 519 Cb 0.12 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1q3h h SER 519 CO -0.05 0.85 0.14 0.58 -0.53 0.00 0.00 176.83 177.82 1q3h h VAL 520 N 0.03 1.12 -0.92 2.23 2.07 -0.31 -2.05 116.25 118.41 1q3h h VAL 520 Ca 0.02 -0.31 0.09 0.00 0.82 0.00 0.00 66.70 67.32 1q3h h VAL 520 Cb 0.74 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 31.29 1q3h h VAL 520 CO 0.05 0.12 0.57 0.58 0.02 0.00 0.00 177.57 178.90 1q3h h VAL 521 N 0.31 0.97 -0.12 2.57 2.07 -0.58 -1.39 116.25 120.08 1q3h h VAL 521 Ca 0.09 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 1q3h h VAL 521 Cb 0.06 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.75 1q3h h VAL 521 CO -0.01 0.18 -0.21 0.50 0.02 0.00 0.00 177.57 178.04 1q3h h LYS 522 N 0.96 0.35 0.00 1.57 3.64 -1.17 -1.68 116.57 120.24 1q3h h LYS 522 Ca 0.43 -0.22 -0.06 0.00 -1.27 0.00 0.00 60.65 59.53 1q3h h LYS 522 Cb 0.32 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1q3h h LYS 522 CO -0.22 0.81 -0.30 0.00 -2.27 0.00 0.00 179.45 177.46 1q3h h ALA 523 N 0.54 1.34 -0.23 5.00 0.00 -1.14 -1.46 119.26 123.32 1q3h h ALA 523 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1q3h h ALA 523 Cb 0.78 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1q3h h ALA 523 CO 0.05 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1q3h n GLN 525 N 0.20 -4.87 0.04 0.00 1.13 -0.55 -4.88 117.38 108.44 1q3h n GLN 525 Ca 0.10 0.89 0.12 0.00 -1.94 0.00 0.00 57.00 56.18 1q3h n GLN 525 Cb 0.23 -5.72 0.26 0.00 0.11 0.00 0.00 30.24 25.12 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 -3.97 0.59 -0.21 1.08 4.77 -0.64 -3.91 117.00 114.71 1q3h n LEU 526 Ca -0.11 0.24 -0.07 0.00 -0.03 0.00 0.00 56.01 56.04 1q3h n LEU 526 Cb 0.62 -0.25 0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1q3h n LEU 526 CO 0.47 -0.02 1.02 -0.61 -1.33 0.00 0.00 177.39 176.92 1q3h h GLN 527 N 0.00 0.87 -0.56 3.23 5.75 -1.87 -0.55 115.11 121.98 1q3h h GLN 527 Ca 0.00 -0.13 0.12 0.00 -0.15 0.00 0.00 58.65 58.49 1q3h h GLN 527 Cb 0.66 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.02 1q3h h GLN 527 CO 0.00 0.70 0.38 1.96 -2.65 0.00 0.00 178.83 179.23 1q3h h GLN 528 N 0.82 0.21 0.00 1.69 7.50 -1.95 -2.35 115.11 121.04 1q3h h GLN 528 Ca 0.21 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.34 1q3h h GLN 528 Cb 0.13 -0.05 -0.00 0.00 0.05 0.00 0.00 27.48 27.61 1q3h h GLN 528 CO -0.03 0.14 -0.04 -0.44 -1.50 0.00 0.00 178.83 176.96 1q3h h ASP 529 N 0.22 0.00 1.00 1.46 3.32 -1.41 -3.37 116.42 117.64 1q3h h ASP 529 Ca 0.26 -0.62 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1q3h h ASP 529 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1q3h h ASP 529 CO -0.05 0.83 0.00 0.16 -1.72 0.00 0.00 179.24 178.47 1q3h h ILE 530 N -1.00 0.00 0.00 0.35 3.07 -1.06 -1.66 117.51 117.21 1q3h h ILE 530 Ca -0.01 -0.43 0.00 0.00 1.55 0.00 0.00 64.86 65.97 1q3h h ILE 530 Cb 0.65 1.33 0.00 0.00 -0.27 0.00 0.00 36.82 38.53 1q3h h ILE 530 CO -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.09 1q3h h THR 531 N 0.00 0.00 0.00 0.16 1.03 -1.59 -1.99 112.91 110.53 1q3h h THR 531 Ca 0.00 -0.57 0.00 0.00 -0.01 0.00 0.00 66.41 65.83 1q3h h THR 531 Cb 0.50 1.54 0.00 0.00 -1.07 0.00 0.00 68.15 69.12 1q3h h THR 531 CO 0.00 0.00 0.00 0.29 -0.01 0.00 0.00 175.52 175.80 1q3h n LYS 532 N -2.96 0.34 -4.43 0.00 5.02 -0.62 -4.83 118.16 110.67 1q3h n LYS 532 Ca 0.02 0.04 -0.33 0.00 -2.02 0.00 0.00 58.31 56.02 1q3h n LYS 532 Cb 0.35 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.76 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 -2.61 2.97 0.16 2.13 2.99 -0.75 -5.02 117.98 117.86 1q3h s PHE 533 Ca 0.23 0.02 -0.16 0.00 0.00 0.00 0.00 56.93 57.02 1q3h s PHE 533 Cb 0.17 -1.66 0.08 0.00 0.00 0.00 0.00 43.02 41.62 1q3h s PHE 533 CO 0.40 0.40 1.70 0.00 -0.00 0.00 0.00 175.22 177.72 1q3h h ALA 534 N 4.64 0.34 -0.60 5.36 0.00 -1.88 -2.26 119.26 124.85 1q3h h ALA 534 Ca -0.49 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1q3h h ALA 534 Cb 1.17 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1q3h h ALA 534 CO 0.54 -0.39 0.00 0.39 0.00 0.00 0.00 179.25 179.79 1q3h n GLU 535 N -5.17 3.52 0.00 0.00 -0.58 -1.26 -5.04 120.64 112.11 1q3h n GLU 535 Ca 0.02 -2.64 0.00 0.00 -0.42 0.00 0.00 57.16 54.12 1q3h n GLU 535 Cb 0.19 -1.85 0.00 0.00 -0.57 0.00 0.00 31.44 29.21 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 1.04 0.00 0.00 3.49 6.02 -0.85 -0.22 117.38 126.86 1q3h n GLN 536 Ca 0.24 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.27 1q3h n GLN 536 Cb 0.83 0.00 0.23 0.00 1.02 0.00 0.00 30.24 32.32 1q3h n GLN 536 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1q3h n ASP 537 N 1.11 0.00 -0.93 1.08 5.75 -1.26 -1.19 116.55 121.11 1q3h n ASP 537 Ca 0.00 -0.93 0.12 0.00 -0.01 0.00 0.00 54.79 53.97 1q3h n ASP 537 Cb 0.00 0.00 0.25 0.00 -1.03 0.00 0.00 41.12 40.34 1q3h n ASP 537 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1q3h n ASN 538 N -0.71 2.81 -4.72 -1.12 5.03 0.69 -1.37 115.26 115.87 1q3h n ASN 538 Ca 0.06 -1.90 -0.42 0.00 0.87 0.00 0.00 54.58 53.19 1q3h n ASN 538 Cb 0.03 -0.13 -0.03 0.00 -1.02 0.00 0.00 39.78 38.62 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 1.11 0.07 -2.87 3.41 -1.04 -0.33 -4.75 114.28 109.88 1q3h n THR 539 Ca 0.17 -0.02 -0.41 0.00 -2.04 0.00 0.00 64.05 61.75 1q3h n THR 539 Cb 0.53 -1.99 -0.04 0.00 -1.82 0.00 0.00 70.33 67.01 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 1.09 4.94 -0.02 12.58 1.01 -1.26 -1.46 120.40 137.28 1q3h s VAL 540 Ca 0.74 1.74 0.02 0.00 0.00 0.00 0.00 61.98 64.49 1q3h s VAL 540 Cb -0.50 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 31.67 1q3h s VAL 540 CO 0.33 0.17 -0.07 -0.76 0.00 0.00 0.00 175.10 174.77 1q3h s LEU 541 N 1.16 3.15 0.30 3.92 1.43 -0.65 -4.97 118.68 123.03 1q3h s LEU 541 Ca 0.44 -0.11 -0.16 0.00 -1.03 0.00 0.00 54.13 53.27 1q3h s LEU 541 Cb -0.19 -1.77 -0.09 0.00 0.03 0.00 0.00 46.19 44.18 1q3h s LEU 541 CO 0.21 0.31 0.74 -0.83 0.23 0.00 0.00 176.35 177.01 1q3h s GLY 542 N -1.20 2.40 0.39 -3.19 0.00 -1.26 -2.85 107.32 101.60 1q3h s GLY 542 Ca 0.15 0.07 -0.22 0.00 0.00 0.00 0.00 44.72 44.73 1q3h s GLY 542 CO 0.05 0.32 0.24 1.18 0.00 0.00 0.00 173.10 174.88 1q3h n GLU 543 N -0.12 0.13 0.00 2.90 -0.58 -1.26 0.12 120.64 121.83 1q3h n GLU 543 Ca 0.02 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1q3h n GLU 543 Cb 0.53 -1.12 0.00 0.00 -0.57 0.00 0.00 31.44 30.28 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 2.18 2.50 4.21 0.62 0.00 -1.01 -4.34 105.19 109.35 1q3h n GLY 544 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.90 -0.33 0.24 -0.02 0.00 0.32 -4.77 105.19 98.73 1q3h n GLY 545 Ca 0.00 0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.03 0.58 -0.01 1.61 2.07 -1.76 -2.37 116.25 114.35 1q3h h VAL 546 Ca -0.67 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.03 1q3h h VAL 546 Cb 1.40 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1q3h h VAL 546 CO 0.65 0.17 -0.38 0.35 0.02 0.00 0.00 177.57 178.39 1q3h n THR 547 N -3.54 0.00 -1.19 2.57 -2.24 -1.26 -4.88 114.28 103.74 1q3h n THR 547 Ca -0.01 -0.11 -0.30 0.00 -2.27 0.00 0.00 64.05 61.36 1q3h n THR 547 Cb 0.33 0.51 0.14 0.00 -2.10 0.00 0.00 70.33 69.21 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 -2.63 2.28 0.66 3.22 1.02 -0.89 -5.07 118.68 117.27 1q3h s LEU 548 Ca 0.20 1.52 -0.10 0.00 0.02 0.00 0.00 54.13 55.77 1q3h s LEU 548 Cb 0.19 -3.94 0.00 0.00 0.02 0.00 0.00 46.19 42.45 1q3h s LEU 548 CO 0.58 -2.64 1.03 -0.94 0.02 0.00 0.00 176.35 174.40 1q3h s SER 549 N -3.39 5.66 0.43 2.29 1.04 -1.26 -4.92 113.70 113.55 1q3h s SER 549 Ca 0.63 1.09 0.09 0.00 0.48 0.00 0.00 55.95 58.25 1q3h s SER 549 Cb -0.18 -2.00 0.94 0.00 0.10 0.00 0.00 66.02 64.88 1q3h s SER 549 CO 0.57 -1.16 2.05 1.23 0.98 0.00 0.00 173.24 176.91 1q3h h GLY 550 N -0.45 0.51 1.23 7.32 0.00 -1.97 -1.57 103.07 108.14 1q3h h GLY 550 Ca -0.45 -0.18 -0.24 0.00 0.00 0.00 0.00 47.33 46.46 1q3h h GLY 550 CO 0.63 0.17 -0.89 -1.33 0.00 0.00 0.00 176.54 175.11 1q3h h GLY 551 N 0.47 0.80 0.99 4.60 0.00 -1.96 -1.79 103.07 106.19 1q3h h GLY 551 Ca 0.16 -1.25 0.01 0.00 0.00 0.00 0.00 47.33 46.24 1q3h h GLY 551 CO -0.04 1.11 0.38 1.46 0.00 0.00 0.00 176.54 179.46 1q3h h GLN 552 N 0.46 0.76 -0.60 4.80 4.20 -1.85 -0.19 115.11 122.69 1q3h h GLN 552 Ca -0.08 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.49 1q3h h GLN 552 Cb 1.53 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 29.12 1q3h h GLN 552 CO 0.18 0.50 0.04 0.00 -0.67 0.00 0.00 178.83 178.88 1q3h h ARG 553 N 0.78 1.01 -0.16 1.46 3.08 -1.27 -2.19 114.38 117.09 1q3h h ARG 553 Ca 0.22 -0.29 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 1q3h h ARG 553 Cb -0.08 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 1q3h h ARG 553 CO -0.05 0.97 -0.42 0.00 -1.07 0.00 0.00 179.97 179.40 1q3h h ALA 554 N 1.09 0.98 -0.21 0.04 0.00 -1.08 -0.53 119.26 119.55 1q3h h ALA 554 Ca 0.18 -0.43 -0.21 0.00 0.00 0.00 0.00 54.91 54.45 1q3h h ALA 554 Cb 0.49 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1q3h h ALA 554 CO 0.02 0.62 -0.68 0.00 0.00 0.00 0.00 179.25 179.21 1q3h h ARG 555 N 0.31 0.81 0.08 0.00 3.08 -0.88 0.35 114.38 118.13 1q3h h ARG 555 Ca 0.03 -0.60 -0.00 0.00 0.07 0.00 0.00 59.98 59.47 1q3h h ARG 555 Cb 0.87 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.02 1q3h h ARG 555 CO 0.07 1.22 -0.04 0.82 -1.07 0.00 0.00 179.97 180.97 1q3h h ILE 556 N 0.59 0.94 -0.88 2.04 2.04 -1.33 0.15 117.51 121.06 1q3h h ILE 556 Ca -0.02 -0.07 0.04 0.00 1.00 0.00 0.00 64.86 65.80 1q3h h ILE 556 Cb 1.30 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 1q3h h ILE 556 CO 0.14 0.02 0.56 -1.28 0.00 0.00 0.00 178.15 177.60 1q3h h SER 557 N -0.14 0.93 -0.32 1.72 0.87 -1.00 -0.34 113.55 115.27 1q3h h SER 557 Ca -0.01 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1q3h h SER 557 Cb 0.11 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1q3h h SER 557 CO 0.02 0.63 0.11 0.25 -0.53 0.00 0.00 176.83 177.31 1q3h h LEU 558 N 1.09 0.45 -0.95 2.23 6.46 -0.14 -2.70 115.31 121.76 1q3h h LEU 558 Ca 0.36 -0.19 0.02 0.00 -0.12 0.00 0.00 57.88 57.95 1q3h h LEU 558 Cb 0.04 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 39.80 1q3h h LEU 558 CO -0.13 0.52 0.62 0.00 -0.62 0.00 0.00 178.44 178.83 1q3h h ALA 559 N 0.95 1.22 -0.65 1.25 0.00 0.06 0.14 119.26 122.23 1q3h h ALA 559 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1q3h h ALA 559 Cb 0.22 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1q3h h ALA 559 CO -0.01 0.56 0.42 -0.09 0.00 0.00 0.00 179.25 180.13 1q3h h ARG 560 N 1.25 0.86 -0.08 0.00 2.43 -1.03 0.11 114.38 117.92 1q3h h ARG 560 Ca 0.36 -0.06 -0.19 0.00 -0.81 0.00 0.00 59.98 59.27 1q3h h ARG 560 Cb -0.10 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.26 1q3h h ARG 560 CO -0.09 0.58 -0.76 0.00 -1.51 0.00 0.00 179.97 178.20 1q3h h ALA 561 N 1.23 0.53 -0.26 2.80 0.00 -1.04 -2.91 119.26 119.61 1q3h h ALA 561 Ca 0.24 -0.62 -0.17 0.00 0.00 0.00 0.00 54.91 54.36 1q3h h ALA 561 Cb -0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1q3h h ALA 561 CO -0.05 0.75 -0.52 0.28 0.00 0.00 0.00 179.25 179.72 1q3h h VAL 562 N 0.31 1.29 0.00 0.00 2.07 -0.78 -2.99 116.25 116.16 1q3h h VAL 562 Ca -0.04 -1.72 -0.03 0.00 0.82 0.00 0.00 66.70 65.73 1q3h h VAL 562 Cb 1.35 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1q3h h VAL 562 CO 0.13 0.55 -0.12 0.22 0.02 0.00 0.00 177.57 178.37 1q3h h TYR 563 N 0.58 0.00 -2.93 1.57 3.20 -0.78 -3.42 116.97 115.19 1q3h h TYR 563 Ca 0.02 0.00 -0.52 0.00 3.14 0.00 0.00 58.73 61.37 1q3h h TYR 563 Cb 1.10 0.00 0.07 0.00 1.54 0.00 0.00 36.73 39.43 1q3h h TYR 563 CO 0.06 0.12 0.97 0.15 -1.64 0.00 0.00 178.16 177.82 1q3h s LYS 564 N -4.03 4.12 -0.40 1.82 1.02 -1.10 -4.96 119.74 116.21 1q3h s LYS 564 Ca -0.02 2.60 -0.26 0.00 0.02 0.00 0.00 55.97 58.32 1q3h s LYS 564 Cb 0.12 -3.05 0.02 0.00 -0.52 0.00 0.00 37.83 34.40 1q3h s LYS 564 CO 0.58 -0.71 0.92 0.34 -0.92 0.00 0.00 175.35 175.56 1q3h s ASP 565 N 0.91 6.62 0.16 2.83 3.68 -1.26 -5.00 116.67 124.60 1q3h s ASP 565 Ca 0.70 0.42 -0.09 0.00 2.13 0.00 0.00 52.55 55.71 1q3h s ASP 565 Cb -0.49 -2.46 -0.01 0.00 -1.45 0.00 0.00 42.92 38.51 1q3h s ASP 565 CO 0.38 -0.92 0.29 0.00 0.13 0.00 0.00 175.17 175.05 1q3h s ALA 566 N 3.57 -0.06 -0.18 3.66 0.00 -1.26 -4.90 121.76 122.58 1q3h s ALA 566 Ca 0.38 -0.83 0.19 0.00 0.00 0.00 0.00 51.96 51.70 1q3h s ALA 566 Cb -0.11 0.83 -0.05 0.00 0.00 0.00 0.00 23.12 23.78 1q3h s ALA 566 CO 0.21 -0.64 0.98 -0.44 0.00 0.00 0.00 175.76 175.88 1q3h h ASP 567 N 2.55 0.00 -3.56 0.00 3.32 -1.14 -3.47 116.42 114.12 1q3h h ASP 567 Ca -0.32 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.48 1q3h h ASP 567 Cb 1.23 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.47 1q3h h ASP 567 CO 0.49 0.30 -0.66 -0.22 -1.72 0.00 0.00 179.24 177.43 1q3h s LEU 568 N -5.66 1.17 -0.16 1.55 2.96 -1.11 -3.62 118.68 113.81 1q3h s LEU 568 Ca -0.01 0.16 0.01 0.00 -0.22 0.00 0.00 54.13 54.07 1q3h s LEU 568 Cb 0.09 0.18 0.00 0.00 0.50 0.00 0.00 46.19 46.96 1q3h s LEU 568 CO 0.79 -0.10 -0.17 -0.31 -1.32 0.00 0.00 176.35 175.24 1q3h s TYR 569 N 0.78 2.75 -0.34 5.38 1.51 -0.41 -0.46 117.35 126.56 1q3h s TYR 569 Ca -0.06 -1.20 -0.09 0.00 -1.01 0.00 0.00 57.07 54.72 1q3h s TYR 569 Cb -0.08 -1.88 0.02 0.00 -0.11 0.00 0.00 41.96 39.91 1q3h s TYR 569 CO -0.03 -0.56 0.14 -0.51 -1.11 0.00 0.00 175.55 173.49 1q3h s LEU 570 N 0.89 4.32 -0.40 -1.29 1.43 0.83 0.20 118.68 124.66 1q3h s LEU 570 Ca -0.04 -0.89 -0.03 0.00 -1.03 0.00 0.00 54.13 52.14 1q3h s LEU 570 Cb -0.15 -1.95 0.10 0.00 0.03 0.00 0.00 46.19 44.22 1q3h s LEU 570 CO -0.02 -0.30 0.19 -0.76 0.23 0.00 0.00 176.35 175.69 1q3h s LEU 571 N 1.51 5.10 -0.70 1.79 1.02 0.70 0.13 118.68 128.23 1q3h s LEU 571 Ca 0.02 -1.91 -0.20 0.00 0.02 0.00 0.00 54.13 52.05 1q3h s LEU 571 Cb -0.18 -1.83 0.10 0.00 0.02 0.00 0.00 46.19 44.30 1q3h s LEU 571 CO 0.05 -0.51 0.92 -0.62 0.02 0.00 0.00 176.35 176.20 1q3h s ASP 572 N 1.79 6.29 -1.29 2.29 -1.08 0.77 -0.95 116.67 124.48 1q3h s ASP 572 Ca 0.06 -1.39 -0.01 0.00 -0.52 0.00 0.00 52.55 50.70 1q3h s ASP 572 Cb -0.22 -2.38 0.00 0.00 -1.46 0.00 0.00 42.92 38.86 1q3h s ASP 572 CO -0.03 -1.25 0.78 -1.20 0.52 0.00 0.00 175.17 173.99 1q3h n SER 573 N 6.97 -1.52 0.22 -0.34 7.64 -0.96 -2.83 113.62 122.80 1q3h n SER 573 Ca 0.01 -0.77 0.06 0.00 1.01 0.00 0.00 58.87 59.17 1q3h n SER 573 Cb 0.45 -4.28 0.54 0.00 -1.01 0.00 0.00 64.21 59.91 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 -1.89 0.04 -2.91 1.43 0.13 -1.81 -3.37 132.00 123.62 1q3h h PRO 574 Ca -0.61 -0.01 -0.80 0.00 -0.87 0.00 0.00 66.00 63.72 1q3h h PRO 574 Cb 1.36 -0.01 -0.29 0.00 0.13 0.00 0.00 31.00 32.19 1q3h h PRO 574 CO 0.55 0.14 0.72 1.19 -0.23 0.00 0.00 178.00 180.37 1q3h n PHE 575 N -4.40 2.42 -1.07 1.56 3.72 -1.26 -4.66 117.46 113.77 1q3h n PHE 575 Ca -0.02 -2.70 0.03 0.00 -0.05 0.00 0.00 57.45 54.71 1q3h n PHE 575 Cb 0.18 -1.24 0.04 0.00 -0.94 0.00 0.00 39.48 37.52 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 1.35 1.74 3.89 1.37 0.00 -1.26 -4.88 105.19 107.40 1q3h n GLY 576 Ca 0.26 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 1q3h n GLY 576 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1q3h s TYR 577 N -1.12 1.57 0.22 1.61 2.02 -1.26 -4.46 117.35 115.93 1q3h s TYR 577 Ca 0.10 -0.90 0.01 0.00 -0.37 0.00 0.00 57.07 55.91 1q3h s TYR 577 Cb 0.09 -1.83 0.20 0.00 -0.40 0.00 0.00 41.96 40.02 1q3h s TYR 577 CO 0.01 -0.38 1.54 -0.07 -1.57 0.00 0.00 175.55 175.08 1q3h h LEU 578 N 0.82 0.43 -6.89 -1.29 3.38 -1.98 -3.38 115.31 106.40 1q3h h LEU 578 Ca -0.38 -0.23 -0.59 0.00 0.09 0.00 0.00 57.88 56.77 1q3h h LEU 578 Cb 1.31 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1q3h h LEU 578 CO 0.60 0.91 2.12 -0.90 0.09 0.00 0.00 178.44 181.26 1q3h n ASP 579 N -3.93 3.06 0.22 -0.43 3.85 -1.26 -4.69 116.55 113.38 1q3h n ASP 579 Ca -0.03 -2.73 0.12 0.00 -0.71 0.00 0.00 54.79 51.45 1q3h n ASP 579 Cb 0.60 -1.40 0.19 0.00 -1.35 0.00 0.00 41.12 39.16 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 4.91 0.00 0.23 2.12 3.04 -1.98 -2.69 116.25 121.87 1q3h h VAL 580 Ca 0.40 -0.98 -0.33 0.00 -1.01 0.00 0.00 66.70 64.78 1q3h h VAL 580 Cb 0.75 1.98 0.03 0.00 -2.01 0.00 0.00 31.29 32.03 1q3h h VAL 580 CO 1.73 0.00 -1.48 -0.26 -1.01 0.00 0.00 177.57 176.55 1q3h h PHE 581 N 0.00 0.88 -0.69 3.17 -1.00 -1.95 -2.82 116.94 114.54 1q3h h PHE 581 Ca 0.00 -0.64 0.07 0.00 2.81 0.00 0.00 57.97 60.20 1q3h h PHE 581 Cb 0.98 -0.04 -0.06 0.00 3.61 0.00 0.00 35.95 40.45 1q3h h PHE 581 CO 0.00 1.53 0.37 1.15 -1.61 0.00 0.00 178.31 179.75 1q3h h THR 582 N 0.13 0.94 -0.84 -1.55 2.02 -1.93 -2.03 112.91 109.65 1q3h h THR 582 Ca -0.25 -0.23 0.04 0.00 0.77 0.00 0.00 66.41 66.74 1q3h h THR 582 Cb 2.14 0.21 -0.05 0.00 -1.74 0.00 0.00 68.15 68.71 1q3h h THR 582 CO 0.26 0.12 0.55 -0.33 0.37 0.00 0.00 175.52 176.49 1q3h h GLU 583 N 0.67 0.99 -0.57 6.66 5.08 -1.50 -0.74 114.58 125.17 1q3h h GLU 583 Ca 0.32 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.51 1q3h h GLU 583 Cb 0.24 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1q3h h GLU 583 CO -0.21 0.65 -0.06 0.93 -1.00 0.00 0.00 179.01 179.33 1q3h h GLU 584 N 1.02 1.04 -0.68 2.33 5.08 -1.14 -1.31 114.58 120.92 1q3h h GLU 584 Ca 0.34 -0.36 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1q3h h GLU 584 Cb 0.08 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1q3h h GLU 584 CO -0.11 1.05 0.21 1.96 -1.00 0.00 0.00 179.01 181.13 1q3h h GLN 585 N 0.92 1.04 -0.41 2.33 4.20 -0.74 -2.28 115.11 120.17 1q3h h GLN 585 Ca 0.15 -0.21 -0.12 0.00 0.06 0.00 0.00 58.65 58.54 1q3h h GLN 585 Cb 0.62 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1q3h h GLN 585 CO 0.04 0.88 -0.19 0.28 -0.67 0.00 0.00 178.83 179.17 1q3h h VAL 586 N 1.00 1.28 -0.75 -0.54 2.07 -0.81 0.18 116.25 118.67 1q3h h VAL 586 Ca 0.22 -1.33 -0.06 0.00 0.82 0.00 0.00 66.70 66.35 1q3h h VAL 586 Cb 0.28 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1q3h h VAL 586 CO -0.01 0.45 0.25 0.15 0.02 0.00 0.00 177.57 178.43 1q3h h PHE 587 N 0.68 1.20 -0.01 1.57 3.04 -1.17 0.26 116.94 122.51 1q3h h PHE 587 Ca 0.09 -0.12 -0.00 0.00 3.98 0.00 0.00 57.97 61.93 1q3h h PHE 587 Cb 0.75 -0.35 -0.00 0.00 2.56 0.00 0.00 35.95 38.91 1q3h h PHE 587 CO 0.06 0.94 -0.00 1.49 -2.02 0.00 0.00 178.31 178.77 1q3h h GLU 588 N 1.11 0.01 0.10 1.11 4.81 -1.20 -1.50 114.58 119.03 1q3h h GLU 588 Ca 0.24 -0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 59.21 1q3h h GLU 588 Cb 0.29 -0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.70 1q3h h GLU 588 CO -0.01 0.45 -1.09 0.77 -0.73 0.00 0.00 179.01 178.40 1q3h h SER 589 N -0.42 0.79 0.00 1.04 0.02 -0.55 -2.41 113.55 112.02 1q3h h SER 589 Ca 0.00 -0.82 -0.03 0.00 -0.84 0.00 0.00 61.79 60.10 1q3h h SER 589 Cb 0.44 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 1q3h h SER 589 CO 0.00 1.53 -0.60 0.00 -1.14 0.00 0.00 176.83 176.62 1q3h h VAL 591 N -1.00 1.33 0.12 0.00 2.07 -1.50 -0.56 116.25 116.70 1q3h h VAL 591 Ca -0.05 -1.95 -0.33 0.00 0.82 0.00 0.00 66.70 65.19 1q3h h VAL 591 Cb 0.61 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 1q3h h VAL 591 CO -0.03 0.60 -1.70 0.00 0.02 0.00 0.00 177.57 176.46 1q3h n LYS 593 N -3.44 0.00 -0.31 0.00 5.02 -0.91 -3.81 118.16 114.71 1q3h n LYS 593 Ca -0.22 0.07 0.12 0.00 -2.02 0.00 0.00 58.31 56.26 1q3h n LYS 593 Cb 1.05 -0.46 0.29 0.00 -0.02 0.00 0.00 35.03 35.89 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 0.00 0.45 -3.30 -0.35 5.85 -1.26 -0.95 115.31 115.74 1q3h h LEU 594 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1q3h h LEU 594 Cb 0.00 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1q3h h LEU 594 CO 0.00 0.09 0.00 0.23 -0.34 0.00 0.00 178.44 178.42 1q3h n MET 595 N -4.96 4.01 -0.24 1.25 2.81 -0.23 -4.65 117.12 115.12 1q3h n MET 595 Ca 0.21 -2.95 0.29 0.00 -1.81 0.00 0.00 57.70 53.45 1q3h n MET 595 Cb 0.59 -1.99 0.70 0.00 -0.71 0.00 0.00 33.22 31.81 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 3.62 2.84 -0.25 3.04 0.00 -1.26 -0.14 119.26 127.10 1q3h h ALA 596 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1q3h h ALA 596 Cb 1.61 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1q3h h ALA 596 CO 0.32 -1.13 0.00 0.09 0.00 0.00 0.00 179.25 178.53 1q3h n ASN 597 N -4.29 2.65 -4.80 0.00 3.02 -1.26 -4.78 115.26 105.80 1q3h n ASN 597 Ca 0.21 -1.97 -0.38 0.00 -0.03 0.00 0.00 54.58 52.41 1q3h n ASN 597 Cb 1.02 -0.16 -0.06 0.00 -0.61 0.00 0.00 39.78 39.96 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 -0.99 4.05 0.07 3.52 -0.14 -0.07 -4.05 119.74 122.14 1q3h s LYS 598 Ca 0.17 0.37 -0.31 0.00 -1.36 0.00 0.00 55.97 54.84 1q3h s LYS 598 Cb 0.09 -3.30 -0.07 0.00 -1.68 0.00 0.00 37.83 32.87 1q3h s LYS 598 CO 0.12 0.51 1.45 0.99 -0.76 0.00 0.00 175.35 177.66 1q3h s THR 599 N -0.49 3.36 -0.04 2.17 2.01 -1.25 -4.40 115.64 117.01 1q3h s THR 599 Ca 0.23 0.88 -0.08 0.00 0.31 0.00 0.00 61.69 63.04 1q3h s THR 599 Cb -0.16 -3.57 0.01 0.00 0.01 0.00 0.00 72.50 68.80 1q3h s THR 599 CO 0.11 0.03 0.19 0.00 -0.69 0.00 0.00 174.62 174.26 1q3h s ARG 600 N 1.85 0.36 -0.17 4.92 1.70 -0.65 -1.29 118.95 125.66 1q3h s ARG 600 Ca 0.66 0.00 0.01 0.00 -0.47 0.00 0.00 55.73 55.94 1q3h s ARG 600 Cb -0.36 0.16 0.02 0.00 -0.57 0.00 0.00 34.95 34.20 1q3h s ARG 600 CO 0.29 -0.07 -0.19 0.42 -1.08 0.00 0.00 175.30 174.68 1q3h s ILE 601 N -0.53 1.93 -0.20 4.99 1.01 0.13 -0.74 121.20 127.78 1q3h s ILE 601 Ca -0.06 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.71 1q3h s ILE 601 Cb -0.04 -1.75 0.00 0.00 0.01 0.00 0.00 42.46 40.69 1q3h s ILE 601 CO 0.01 0.52 -0.11 -0.22 0.00 0.00 0.00 174.94 175.14 1q3h s LEU 602 N 1.30 2.59 0.03 2.97 2.96 -0.03 -0.22 118.68 128.28 1q3h s LEU 602 Ca 0.04 -0.51 -0.23 0.00 -0.22 0.00 0.00 54.13 53.21 1q3h s LEU 602 Cb -0.13 -1.63 -0.05 0.00 0.50 0.00 0.00 46.19 44.87 1q3h s LEU 602 CO -0.11 -0.01 0.70 -0.69 -1.32 0.00 0.00 176.35 174.91 1q3h s VAL 603 N 1.40 4.80 -0.05 1.68 1.01 -0.12 -1.08 120.40 128.03 1q3h s VAL 603 Ca 0.05 1.47 -0.31 0.00 0.00 0.00 0.00 61.98 63.20 1q3h s VAL 603 Cb -0.14 -4.04 0.07 0.00 0.00 0.00 0.00 36.38 32.27 1q3h s VAL 603 CO -0.07 0.39 0.69 0.28 0.00 0.00 0.00 175.10 176.39 1q3h s THR 604 N -0.13 0.00 -0.19 3.92 -1.32 0.12 -2.26 115.64 115.77 1q3h s THR 604 Ca 0.35 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.96 1q3h s THR 604 Cb -0.20 -1.00 0.41 0.00 -1.51 0.00 0.00 72.50 70.20 1q3h s THR 604 CO 0.21 0.00 1.21 -1.54 -2.21 0.00 0.00 174.62 172.29 1q3h n SER 605 N 0.89 1.73 -4.44 8.08 3.41 -1.26 -4.21 113.62 117.81 1q3h n SER 605 Ca -0.19 -3.76 -0.33 0.00 -0.26 0.00 0.00 58.87 54.33 1q3h n SER 605 Cb 0.57 -0.51 -0.13 0.00 -0.26 0.00 0.00 64.21 63.88 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 -3.07 3.06 0.27 4.33 1.02 -1.26 -4.81 119.74 119.28 1q3h s LYS 606 Ca 0.37 -0.66 0.08 0.00 0.02 0.00 0.00 55.97 55.79 1q3h s LYS 606 Cb 0.36 -2.58 0.35 0.00 -0.52 0.00 0.00 37.83 35.45 1q3h s LYS 606 CO -0.07 0.40 1.62 0.52 -0.92 0.00 0.00 175.35 176.90 1q3h h MET 607 N 6.10 0.10 -0.71 1.68 2.86 -1.95 -2.72 114.93 120.29 1q3h h MET 607 Ca -0.35 -0.07 0.12 0.00 -2.06 0.00 0.00 59.70 57.34 1q3h h MET 607 Cb 1.19 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.81 1q3h h MET 607 CO 0.54 0.65 0.47 1.49 1.06 0.00 0.00 176.91 181.13 1q3h h GLU 608 N 0.08 0.46 -0.20 1.72 4.57 -1.98 -0.88 114.58 118.35 1q3h h GLU 608 Ca -0.00 -0.03 -0.17 0.00 -1.18 0.00 0.00 59.36 57.98 1q3h h GLU 608 Cb 1.04 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.53 1q3h h GLU 608 CO 0.08 0.30 -0.56 0.45 -1.18 0.00 0.00 179.01 178.11 1q3h h HIS 609 N 0.47 0.75 -0.65 0.92 3.86 -1.90 -0.13 115.15 118.47 1q3h h HIS 609 Ca 0.34 -0.27 -0.09 0.00 -1.16 0.00 0.00 60.37 59.20 1q3h h HIS 609 Cb 0.68 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 1q3h h HIS 609 CO -0.00 1.02 0.07 -0.07 0.86 0.00 0.00 177.93 179.81 1q3h h LEU 610 N 0.46 1.07 -0.99 2.43 4.07 -1.47 -2.21 115.31 118.66 1q3h h LEU 610 Ca 0.01 -0.27 -0.08 0.00 0.08 0.00 0.00 57.88 57.61 1q3h h LEU 610 Cb 1.11 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.55 1q3h h LEU 610 CO 0.11 1.07 -0.14 -0.09 -1.08 0.00 0.00 178.44 178.31 1q3h h ARG 611 N 1.02 0.57 -0.02 1.13 2.43 -0.52 -2.46 114.38 116.54 1q3h h ARG 611 Ca 0.19 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1q3h h ARG 611 Cb 0.49 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1q3h h ARG 611 CO 0.02 0.70 -0.13 1.63 -1.51 0.00 0.00 179.97 180.67 1q3h n LYS 612 N -4.18 1.55 -1.91 0.20 4.76 -0.12 -4.94 118.16 113.52 1q3h n LYS 612 Ca 0.01 -1.08 -0.32 0.00 -2.87 0.00 0.00 58.31 54.05 1q3h n LYS 612 Cb 0.35 -1.48 0.02 0.00 -1.84 0.00 0.00 35.03 32.08 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 -2.19 2.82 -0.01 7.82 0.00 -0.83 -4.99 121.76 124.37 1q3h s ALA 613 Ca 0.29 0.19 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 1q3h s ALA 613 Cb 0.20 -3.17 -0.27 0.00 0.00 0.00 0.00 23.12 19.88 1q3h s ALA 613 CO 0.41 -0.85 0.81 -0.44 0.00 0.00 0.00 175.76 175.68 1q3h h ASP 614 N 0.00 0.34 -4.89 0.00 3.32 -1.68 -3.44 116.42 110.08 1q3h h ASP 614 Ca -0.45 -0.51 -0.21 0.00 0.02 0.00 0.00 57.03 55.87 1q3h h ASP 614 Cb 1.21 -0.11 -0.21 0.00 0.22 0.00 0.00 39.33 40.44 1q3h h ASP 614 CO 0.58 1.43 -0.71 -0.54 -1.72 0.00 0.00 179.24 178.28 1q3h s LYS 615 N -2.61 0.43 -0.04 3.56 -0.14 -0.74 -4.70 119.74 115.50 1q3h s LYS 615 Ca -0.09 -0.72 0.03 0.00 -1.36 0.00 0.00 55.97 53.83 1q3h s LYS 615 Cb 0.07 -0.07 0.00 0.00 -1.68 0.00 0.00 37.83 36.15 1q3h s LYS 615 CO 0.84 -0.01 -0.13 0.42 -0.76 0.00 0.00 175.35 175.71 1q3h s ILE 616 N -1.59 1.14 -0.15 2.17 1.01 0.77 -0.90 121.20 123.65 1q3h s ILE 616 Ca -0.12 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 59.99 1q3h s ILE 616 Cb -0.09 -1.00 0.03 0.00 0.01 0.00 0.00 42.46 41.41 1q3h s ILE 616 CO -0.01 0.34 -0.12 -0.22 0.00 0.00 0.00 174.94 174.94 1q3h s LEU 617 N 0.20 1.62 -0.15 2.97 0.20 0.15 -1.73 118.68 121.94 1q3h s LEU 617 Ca -0.05 -0.50 -0.04 0.00 0.69 0.00 0.00 54.13 54.23 1q3h s LEU 617 Cb -0.11 -1.09 -0.03 0.00 -0.43 0.00 0.00 46.19 44.53 1q3h s LEU 617 CO 0.02 -0.09 -0.01 -0.63 -0.29 0.00 0.00 176.35 175.34 1q3h s ILE 618 N 1.54 4.11 -0.03 6.68 1.01 0.01 -1.15 121.20 133.36 1q3h s ILE 618 Ca 0.04 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.44 1q3h s ILE 618 Cb -0.13 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 1q3h s ILE 618 CO -0.10 0.50 -0.13 -0.76 0.00 0.00 0.00 174.94 174.45 1q3h s LEU 619 N 0.22 2.83 -0.13 2.97 1.02 0.36 -0.35 118.68 125.61 1q3h s LEU 619 Ca -0.01 -0.19 -0.05 0.00 0.02 0.00 0.00 54.13 53.90 1q3h s LEU 619 Cb -0.13 -1.60 0.06 0.00 0.02 0.00 0.00 46.19 44.54 1q3h s LEU 619 CO 0.02 0.33 0.27 -2.28 0.02 0.00 0.00 176.35 174.71 1q3h s HIS 620 N -0.80 -0.42 -1.37 0.29 2.46 -0.12 -1.93 115.29 113.40 1q3h s HIS 620 Ca 0.13 0.95 -0.07 0.00 0.47 0.00 0.00 55.06 56.53 1q3h s HIS 620 Cb -0.11 0.01 0.03 0.00 -0.13 0.00 0.00 32.58 32.39 1q3h s HIS 620 CO 0.02 -0.32 1.01 1.04 -2.47 0.00 0.00 174.74 174.02 1q3h n GLN 621 N 4.96 -6.49 -1.04 2.88 3.00 -1.26 -1.23 117.38 118.20 1q3h n GLN 621 Ca -0.13 0.73 -0.01 0.00 -0.01 0.00 0.00 57.00 57.58 1q3h n GLN 621 Cb 0.51 -5.64 -0.01 0.00 0.00 0.00 0.00 30.24 25.10 1q3h n GLN 621 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1q3h n GLY 622 N -1.69 0.36 3.52 1.08 0.00 0.24 -4.94 105.19 103.77 1q3h n GLY 622 Ca -0.09 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 1q3h n GLY 622 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q3h s SER 623 N -2.11 4.03 -0.60 1.61 0.01 -0.37 -1.22 113.70 115.05 1q3h s SER 623 Ca 0.00 -0.58 -0.28 0.00 1.31 0.00 0.00 55.95 56.40 1q3h s SER 623 Cb 0.00 -0.61 0.03 0.00 0.21 0.00 0.00 66.02 65.65 1q3h s SER 623 CO 0.00 0.14 1.19 -0.55 0.41 0.00 0.00 173.24 174.43 1q3h s SER 624 N -2.47 6.40 0.10 2.44 0.15 -1.26 -0.94 113.70 118.11 1q3h s SER 624 Ca 0.21 -0.01 -0.06 0.00 0.70 0.00 0.00 55.95 56.79 1q3h s SER 624 Cb -0.10 -2.55 -0.20 0.00 -1.71 0.00 0.00 66.02 61.47 1q3h s SER 624 CO 0.12 -1.52 1.21 0.22 1.20 0.00 0.00 173.24 174.48 1q3h h TYR 625 N 9.60 0.62 -2.18 3.44 5.03 -1.01 -3.47 116.97 129.00 1q3h h TYR 625 Ca -0.25 -0.39 -0.06 0.00 2.58 0.00 0.00 58.73 60.60 1q3h h TYR 625 Cb 1.06 -0.05 -0.21 0.00 1.55 0.00 0.00 36.73 39.08 1q3h h TYR 625 CO 1.04 1.25 0.07 0.12 -1.32 0.00 0.00 178.16 179.32 1q3h s PHE 626 N -2.97 -0.65 -0.02 -3.82 2.19 -1.14 -4.98 117.98 106.58 1q3h s PHE 626 Ca -0.06 1.41 -0.00 0.00 0.33 0.00 0.00 56.93 58.61 1q3h s PHE 626 Cb 0.08 0.29 0.02 0.00 -1.31 0.00 0.00 43.02 42.10 1q3h s PHE 626 CO 0.88 -0.44 0.03 -0.47 1.83 0.00 0.00 175.22 177.06 1q3h s TYR 627 N -0.33 -0.00 -5.00 10.12 5.04 -1.26 -0.81 117.35 125.10 1q3h s TYR 627 Ca -0.05 0.12 0.00 0.00 -2.44 0.00 0.00 57.07 54.70 1q3h s TYR 627 Cb -0.03 -0.13 0.00 0.00 0.35 0.00 0.00 41.96 42.15 1q3h s TYR 627 CO 0.04 -0.06 0.00 0.41 -1.34 0.00 0.00 175.55 174.60 1q3h n GLY 628 N 3.74 -0.30 3.97 8.97 0.00 -0.71 -4.99 105.19 115.88 1q3h n GLY 628 Ca -0.21 -1.16 -0.22 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.18 2.61 0.37 2.61 -4.23 -1.26 -0.17 115.64 112.40 1q3h s THR 629 Ca 0.00 -0.63 0.12 0.00 -1.18 0.00 0.00 61.69 60.00 1q3h s THR 629 Cb 0.00 -2.98 0.10 0.00 1.34 0.00 0.00 72.50 70.96 1q3h s THR 629 CO 0.00 0.00 1.84 0.15 -0.54 0.00 0.00 174.62 176.07 1q3h h PHE 630 N -0.01 0.04 -0.37 3.99 3.57 -1.85 -1.71 116.94 120.60 1q3h h PHE 630 Ca -0.42 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 60.99 1q3h h PHE 630 Cb 1.30 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 1q3h h PHE 630 CO 0.35 0.37 -0.10 1.03 -2.23 0.00 0.00 178.31 177.73 1q3h h SER 631 N 0.03 0.72 0.59 0.41 0.87 -1.95 -2.88 113.55 111.34 1q3h h SER 631 Ca 0.00 -0.37 -0.06 0.00 -1.23 0.00 0.00 61.79 60.13 1q3h h SER 631 Cb 0.61 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 1q3h h SER 631 CO 0.04 0.92 -0.29 -0.33 -0.53 0.00 0.00 176.83 176.65 1q3h h GLU 632 N 0.51 0.00 -0.27 2.24 5.08 -1.88 -2.86 114.58 117.41 1q3h h GLU 632 Ca 0.09 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 1q3h h GLU 632 Cb 0.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1q3h h GLU 632 CO 0.04 0.29 -0.38 1.25 -1.00 0.00 0.00 179.01 179.20 1q3h h LEU 633 N 0.00 0.66 -0.40 1.33 5.85 -1.12 0.14 115.31 121.76 1q3h h LEU 633 Ca -0.00 -0.29 -0.17 0.00 0.84 0.00 0.00 57.88 58.26 1q3h h LEU 633 Cb 0.66 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 1q3h h LEU 633 CO 0.04 0.97 -0.52 1.56 -0.34 0.00 0.00 178.44 180.14 1q3h h GLN 634 N 0.52 0.77 0.12 1.25 4.20 -1.30 -1.87 115.11 118.79 1q3h h GLN 634 Ca 0.05 -0.47 -0.35 0.00 0.06 0.00 0.00 58.65 57.93 1q3h h GLN 634 Cb 0.89 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 1q3h h GLN 634 CO 0.08 1.10 -1.90 0.66 -0.67 0.00 0.00 178.83 178.10 1q3h h SER 635 N 0.59 0.41 1.57 1.46 4.64 -1.50 -3.31 113.55 117.41 1q3h h SER 635 Ca 0.02 -0.83 -0.01 0.00 -0.47 0.00 0.00 61.79 60.50 1q3h h SER 635 Cb 1.11 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1q3h h SER 635 CO 0.11 1.74 -0.43 -0.07 -0.87 0.00 0.00 176.83 177.30 1q3h h LEU 636 N 0.07 0.00 -5.88 5.97 3.38 -0.84 -3.37 115.31 114.64 1q3h h LEU 636 Ca -0.39 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.05 1q3h h LEU 636 Cb 2.04 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 42.39 1q3h h LEU 636 CO 0.11 0.03 -0.99 0.54 0.09 0.00 0.00 178.44 178.23 1q3h n ARG 637 N -2.94 1.56 0.17 1.13 5.12 -0.70 -4.96 116.66 116.04 1q3h n ARG 637 Ca 0.02 -3.80 0.03 0.00 -1.93 0.00 0.00 57.85 52.16 1q3h n ARG 637 Cb 0.55 -1.76 0.31 0.00 -1.16 0.00 0.00 32.46 30.40 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 3.40 0.00 -0.14 5.56 0.13 -1.73 -1.65 132.00 137.58 1q3h h PRO 638 Ca 0.11 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.16 1q3h h PRO 638 Cb 0.81 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 1q3h h PRO 638 CO 0.60 0.44 -0.21 -0.44 -0.23 0.00 0.00 178.00 178.16 1q3h h ASP 639 N 0.00 0.43 0.29 1.44 3.45 -1.93 -1.59 116.42 118.50 1q3h h ASP 639 Ca -0.00 -0.53 -0.01 0.00 0.43 0.00 0.00 57.03 56.91 1q3h h ASP 639 Cb 0.86 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.51 1q3h h ASP 639 CO 0.06 0.87 -0.14 0.15 -1.57 0.00 0.00 179.24 178.61 1q3h h PHE 640 N -0.01 -0.36 -0.23 4.55 3.04 -1.88 -2.94 116.94 119.11 1q3h h PHE 640 Ca 0.01 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.96 1q3h h PHE 640 Cb 0.79 0.12 -0.02 0.00 2.56 0.00 0.00 35.95 39.40 1q3h h PHE 640 CO 0.10 -0.20 0.13 0.77 -2.02 0.00 0.00 178.31 177.08 1q3h h SER 641 N -0.42 0.20 -0.09 0.41 0.02 -1.33 -1.80 113.55 110.55 1q3h h SER 641 Ca -0.04 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 1q3h h SER 641 Cb 0.32 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1q3h h SER 641 CO 0.06 0.15 -0.19 -1.28 -1.14 0.00 0.00 176.83 174.43 1q3h h SER 642 N 0.26 0.47 -0.27 3.07 0.87 -1.34 0.30 113.55 116.92 1q3h h SER 642 Ca 0.09 -0.14 -0.08 0.00 -1.23 0.00 0.00 61.79 60.42 1q3h h SER 642 Cb 0.00 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1q3h h SER 642 CO -0.05 0.68 -0.16 0.50 -0.53 0.00 0.00 176.83 177.28 1q3h h LYS 643 N 0.43 0.59 0.11 2.24 1.63 -1.31 -1.61 116.57 118.65 1q3h h LYS 643 Ca 0.07 -0.27 -0.30 0.00 -0.85 0.00 0.00 60.65 59.30 1q3h h LYS 643 Cb 0.59 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 1q3h h LYS 643 CO 0.04 0.84 -1.55 -0.07 -3.45 0.00 0.00 179.45 175.26 1q3h h LEU 644 N 0.32 0.35 0.00 5.20 4.07 -0.99 -3.13 115.31 121.14 1q3h h LEU 644 Ca 0.06 -0.51 0.00 0.00 0.08 0.00 0.00 57.88 57.51 1q3h h LEU 644 Cb 0.68 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.31 1q3h h LEU 644 CO 0.05 1.43 0.00 0.23 -1.08 0.00 0.00 178.44 179.06 1q3h n MET 645 N -3.42 0.23 -0.07 1.13 2.81 0.10 -3.52 117.12 114.38 1q3h n MET 645 Ca -0.17 0.04 0.10 0.00 -1.81 0.00 0.00 57.70 55.87 1q3h n MET 645 Cb 1.04 -1.50 0.40 0.00 -0.71 0.00 0.00 33.22 32.45 1q3h n MET 645 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1q3h n GLY 646 N 1.05 0.10 3.94 3.03 0.00 -0.61 -4.78 105.19 107.93 1q3h n GLY 646 Ca 0.10 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 1q3h n GLY 646 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1q3h s TYR 647 N -1.82 3.14 -0.16 1.61 1.51 -1.23 -5.03 117.35 115.37 1q3h s TYR 647 Ca 0.31 0.32 -0.03 0.00 -1.01 0.00 0.00 57.07 56.67 1q3h s TYR 647 Cb 0.17 -2.58 -0.23 0.00 -0.11 0.00 0.00 41.96 39.20 1q3h s TYR 647 CO 0.25 -0.66 0.18 -0.25 -1.11 0.00 0.00 175.55 173.96 1q3h n ASP 648 N -2.34 2.00 -3.04 2.29 8.00 -1.26 -4.65 116.55 117.55 1q3h n ASP 648 Ca 0.04 0.10 -0.16 0.00 0.71 0.00 0.00 54.79 55.48 1q3h n ASP 648 Cb 0.58 -0.65 -0.02 0.00 -0.02 0.00 0.00 41.12 41.01 1q3h n ASP 648 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1q3h n THR 649 N -3.38 0.26 -0.35 -3.53 -2.24 -1.26 -4.94 114.28 98.83 1q3h n THR 649 Ca -0.36 -4.25 0.01 0.00 -2.27 0.00 0.00 64.05 57.18 1q3h n THR 649 Cb 1.03 -0.08 0.14 0.00 -2.10 0.00 0.00 70.33 69.33 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 2.99 1.14 0.00 4.78 3.57 -1.90 -2.49 116.94 125.02 1q3h h PHE 650 Ca 0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1q3h h PHE 650 Cb 1.01 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.37 1q3h h PHE 650 CO 0.49 0.62 0.00 -0.25 -2.23 0.00 0.00 178.31 176.94 1q3h n ASP 651 N -4.51 0.40 -0.63 0.41 8.00 -1.26 -1.55 116.55 117.41 1q3h n ASP 651 Ca 0.13 0.63 0.10 0.00 0.71 0.00 0.00 54.79 56.36 1q3h n ASP 651 Cb 0.13 -0.70 0.04 0.00 -0.02 0.00 0.00 41.12 40.57 1q3h n ASP 651 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q3h n GLN 652 N -1.98 1.65 -0.62 -1.24 6.02 -0.94 -4.91 117.38 115.36 1q3h n GLN 652 Ca 0.01 -1.31 -0.30 0.00 -0.01 0.00 0.00 57.00 55.39 1q3h n GLN 652 Cb 0.14 -1.40 0.19 0.00 1.02 0.00 0.00 30.24 30.20 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 -2.02 1.50 0.87 1.08 2.99 -0.60 -5.00 117.98 116.80 1q3h s PHE 653 Ca 0.20 1.67 -0.11 0.00 0.00 0.00 0.00 56.93 58.69 1q3h s PHE 653 Cb 0.17 -3.29 0.12 0.00 0.00 0.00 0.00 43.02 40.01 1q3h s PHE 653 CO 0.39 -3.13 1.09 0.95 -0.00 0.00 0.00 175.22 174.52 1q3h s THR 654 N -2.58 2.78 0.38 0.64 -4.23 -1.26 -4.80 115.64 106.57 1q3h s THR 654 Ca 0.67 0.25 0.13 0.00 -1.18 0.00 0.00 61.69 61.56 1q3h s THR 654 Cb -0.24 -2.68 0.11 0.00 1.34 0.00 0.00 72.50 71.03 1q3h s THR 654 CO 0.60 -0.33 1.86 -0.08 -0.54 0.00 0.00 174.62 176.12 1q3h h GLU 655 N -1.50 0.02 -0.25 3.99 4.22 -1.91 -1.48 114.58 117.67 1q3h h GLU 655 Ca -0.48 -0.01 -0.07 0.00 0.08 0.00 0.00 59.36 58.88 1q3h h GLU 655 Cb 1.27 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1q3h h GLU 655 CO 0.52 0.34 -0.13 1.49 -2.18 0.00 0.00 179.01 179.05 1q3h h GLU 656 N 0.02 0.54 -0.01 1.92 4.81 -1.91 -1.01 114.58 118.94 1q3h h GLU 656 Ca -0.00 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1q3h h GLU 656 Cb 0.58 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 1q3h h GLU 656 CO 0.04 0.80 -0.00 -0.09 -0.73 0.00 0.00 179.01 179.03 1q3h h ARG 657 N 0.26 0.02 -0.91 1.92 9.65 -1.86 -1.62 114.38 121.84 1q3h h ARG 657 Ca 0.06 -0.01 0.09 0.00 -1.10 0.00 0.00 59.98 59.02 1q3h h ARG 657 Cb 0.64 -0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.15 1q3h h ARG 657 CO 0.04 0.36 0.56 0.00 2.80 0.00 0.00 179.97 183.73 1q3h h ARG 658 N -0.33 0.92 -0.38 0.20 3.08 -1.30 0.64 114.38 117.22 1q3h h ARG 658 Ca 0.00 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.86 1q3h h ARG 658 Cb 0.36 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1q3h h ARG 658 CO 0.00 0.61 -0.33 0.77 -1.07 0.00 0.00 179.97 179.95 1q3h h SER 659 N 0.94 0.89 0.38 7.04 0.02 -1.10 -1.43 113.55 120.30 1q3h h SER 659 Ca 0.43 -0.38 -0.23 0.00 -0.84 0.00 0.00 61.79 60.77 1q3h h SER 659 Cb 0.34 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1q3h h SER 659 CO -0.23 1.14 -0.99 0.77 -1.14 0.00 0.00 176.83 176.38 1q3h h SER 660 N 0.71 0.52 -0.07 3.07 4.64 -0.58 -0.35 113.55 121.49 1q3h h SER 660 Ca 0.07 -0.43 0.03 0.00 -0.47 0.00 0.00 61.79 60.98 1q3h h SER 660 Cb 0.89 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.79 1q3h h SER 660 CO 0.08 1.25 -0.08 0.40 -0.87 0.00 0.00 176.83 177.60 1q3h h ILE 661 N 0.21 0.76 -0.67 0.95 2.04 -0.90 -0.01 117.51 119.89 1q3h h ILE 661 Ca -0.09 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.86 1q3h h ILE 661 Cb 1.64 0.76 -0.07 0.00 -0.74 0.00 0.00 36.82 38.41 1q3h h ILE 661 CO 0.17 0.00 0.32 -0.07 0.00 0.00 0.00 178.15 178.57 1q3h h LEU 662 N -0.11 0.41 -0.03 1.44 3.38 -1.15 0.19 115.31 119.44 1q3h h LEU 662 Ca 0.06 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1q3h h LEU 662 Cb 0.20 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1q3h h LEU 662 CO -0.14 0.24 0.02 0.74 0.09 0.00 0.00 178.44 179.39 1q3h h THR 663 N 0.56 1.08 -0.78 0.22 2.02 -0.77 -0.78 112.91 114.46 1q3h h THR 663 Ca 0.32 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 1q3h h THR 663 Cb 0.33 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 1q3h h THR 663 CO -0.26 0.06 0.42 -0.33 0.37 0.00 0.00 175.52 175.79 1q3h h GLU 664 N -0.04 1.09 -0.30 6.66 5.08 -0.64 0.17 114.58 126.61 1q3h h GLU 664 Ca 0.01 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 1q3h h GLU 664 Cb 0.09 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1q3h h GLU 664 CO -0.00 0.81 -0.18 1.15 -1.00 0.00 0.00 179.01 179.79 1q3h h THR 665 N 1.08 1.25 -0.05 1.13 2.02 -0.80 -1.00 112.91 116.54 1q3h h THR 665 Ca 0.27 -1.17 -0.25 0.00 0.77 0.00 0.00 66.41 66.03 1q3h h THR 665 Cb 0.04 1.22 0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1q3h h THR 665 CO -0.04 0.38 -0.96 -0.07 0.37 0.00 0.00 175.52 175.20 1q3h h LEU 666 N 0.50 0.92 -1.38 2.58 4.07 -0.55 -2.07 115.31 119.38 1q3h h LEU 666 Ca 0.08 -0.69 0.06 0.00 0.08 0.00 0.00 57.88 57.41 1q3h h LEU 666 Cb 0.60 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 42.01 1q3h h LEU 666 CO 0.04 1.50 0.47 0.03 -1.08 0.00 0.00 178.44 179.40 1q3h h ARG 667 N 0.44 0.74 -0.03 1.13 3.08 -0.51 -3.14 114.38 116.09 1q3h h ARG 667 Ca -0.10 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 1q3h h ARG 667 Cb 1.60 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.49 1q3h h ARG 667 CO 0.19 0.49 -0.20 -0.09 -1.07 0.00 0.00 179.97 179.29 1q3h h ARG 668 N 0.76 0.20 -0.80 0.04 2.43 -1.03 -3.37 114.38 112.61 1q3h h ARG 668 Ca 0.31 -0.17 -0.54 0.00 -0.81 0.00 0.00 59.98 58.77 1q3h h ARG 668 Cb 0.24 0.04 -0.31 0.00 -0.42 0.00 0.00 29.97 29.51 1q3h h ARG 668 CO -0.10 0.83 0.11 1.19 -1.51 0.00 0.00 179.97 180.49 1q3h n PHE 669 N -4.55 2.69 0.56 2.20 3.72 -0.79 -5.10 117.46 116.18 1q3h n PHE 669 Ca -0.09 -2.43 0.04 0.00 -0.05 0.00 0.00 57.45 54.93 1q3h n PHE 669 Cb 0.44 -0.87 0.27 0.00 -0.94 0.00 0.00 39.48 38.38 1q3h n PHE 669 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58