#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q3h s THR 390 N 0.00 1.00 0.87 1.09 -1.32 -1.22 -4.98 115.64 111.08 1q3h s THR 390 Ca 0.00 -1.43 -0.12 0.00 -1.21 0.00 0.00 61.69 58.93 1q3h s THR 390 Cb 0.00 -1.15 0.15 0.00 -1.51 0.00 0.00 72.50 69.99 1q3h s THR 390 CO 0.00 -0.38 1.21 -0.83 -2.21 0.00 0.00 174.62 172.41 1q3h s GLY 391 N -2.03 1.74 -0.00 6.08 0.00 -1.26 -4.35 107.32 107.50 1q3h s GLY 391 Ca 0.01 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.54 1q3h s GLY 391 CO 0.01 -0.53 -0.00 -1.50 0.00 0.00 0.00 173.10 171.08 1q3h s ILE 392 N -3.65 0.03 -0.04 0.90 2.07 0.51 -4.41 121.20 116.60 1q3h s ILE 392 Ca 0.69 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.95 1q3h s ILE 392 Cb -0.06 -0.04 0.02 0.00 0.13 0.00 0.00 42.46 42.50 1q3h s ILE 392 CO 0.50 0.02 -0.07 -0.63 -1.91 0.00 0.00 174.94 172.85 1q3h s ILE 393 N 0.10 0.70 -0.18 2.00 1.01 -0.38 0.03 121.20 124.47 1q3h s ILE 393 Ca -0.01 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.41 1q3h s ILE 393 Cb -0.01 -0.67 0.03 0.00 0.01 0.00 0.00 42.46 41.81 1q3h s ILE 393 CO -0.00 0.25 -0.16 -0.04 0.00 0.00 0.00 174.94 174.99 1q3h s MET 394 N 0.70 2.58 -0.35 2.79 -1.94 0.13 -0.66 119.30 122.56 1q3h s MET 394 Ca -0.11 -0.80 -0.08 0.00 -1.71 0.00 0.00 55.69 53.00 1q3h s MET 394 Cb -0.14 -2.44 0.04 0.00 2.01 0.00 0.00 34.83 34.30 1q3h s MET 394 CO 0.01 -0.28 0.14 -1.21 -0.01 0.00 0.00 175.02 173.67 1q3h s GLU 395 N 1.35 2.67 -1.23 2.03 2.02 0.97 -1.26 118.70 125.25 1q3h s GLU 395 Ca 0.03 -1.16 -0.24 0.00 0.02 0.00 0.00 54.97 53.62 1q3h s GLU 395 Cb -0.14 -3.54 0.02 0.00 0.10 0.00 0.00 34.13 30.56 1q3h s GLU 395 CO -0.11 -0.68 0.65 -1.71 0.02 0.00 0.00 175.26 173.43 1q3h n ASN 396 N 4.87 -3.82 -4.77 -0.19 4.05 -1.04 -1.21 115.26 113.15 1q3h n ASN 396 Ca -0.12 -1.16 -0.38 0.00 0.45 0.00 0.00 54.58 53.37 1q3h n ASN 396 Cb 0.45 -2.46 -0.06 0.00 1.23 0.00 0.00 39.78 38.94 1q3h n ASN 396 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1q3h s VAL 397 N -3.61 5.12 -0.03 3.44 1.01 -0.20 -3.29 120.40 122.84 1q3h s VAL 397 Ca 0.40 0.86 0.03 0.00 0.00 0.00 0.00 61.98 63.27 1q3h s VAL 397 Cb -0.19 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1q3h s VAL 397 CO 0.92 0.44 -0.10 -0.89 0.00 0.00 0.00 175.10 175.48 1q3h s THR 398 N -0.14 0.89 -0.09 3.92 2.01 -1.00 0.01 115.64 121.24 1q3h s THR 398 Ca 0.24 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.85 1q3h s THR 398 Cb -0.16 -0.79 0.01 0.00 0.01 0.00 0.00 72.50 71.58 1q3h s THR 398 CO 0.11 0.28 -0.13 0.00 -0.69 0.00 0.00 174.62 174.18 1q3h s ALA 399 N 0.25 1.46 0.28 7.40 0.00 0.75 -1.51 121.76 130.39 1q3h s ALA 399 Ca -0.05 -0.57 -0.09 0.00 0.00 0.00 0.00 51.96 51.26 1q3h s ALA 399 Cb -0.10 -0.72 -0.07 0.00 0.00 0.00 0.00 23.12 22.23 1q3h s ALA 399 CO 0.01 -0.02 0.59 -0.06 0.00 0.00 0.00 175.76 176.28 1q3h s PHE 400 N 0.92 3.44 0.12 0.00 0.08 -1.26 -0.44 117.98 120.84 1q3h s PHE 400 Ca -0.09 0.85 -0.31 0.00 0.12 0.00 0.00 56.93 57.50 1q3h s PHE 400 Cb -0.15 -2.26 -0.10 0.00 -0.57 0.00 0.00 43.02 39.94 1q3h s PHE 400 CO 0.00 0.18 1.84 -1.58 -0.10 0.00 0.00 175.22 175.56 1q3h s TRP 401 N -1.98 2.12 0.16 0.36 0.52 0.32 -4.74 118.94 115.70 1q3h s TRP 401 Ca 0.47 -0.04 0.10 0.00 0.02 0.00 0.00 56.10 56.65 1q3h s TRP 401 Cb -0.11 -4.18 -0.04 0.00 -1.15 0.00 0.00 33.47 27.99 1q3h s TRP 401 CO 0.25 -4.90 -0.22 -1.21 0.02 0.00 0.00 176.95 170.88 1q3h s GLU 402 N 2.79 1.36 0.08 4.98 0.41 -1.26 -4.55 118.70 122.51 1q3h s GLU 402 Ca 0.81 -1.41 -0.36 0.00 -0.41 0.00 0.00 54.97 53.60 1q3h s GLU 402 Cb -0.46 -1.61 -0.16 0.00 -1.78 0.00 0.00 34.13 30.12 1q3h s GLU 402 CO 0.37 0.35 1.42 -1.91 -0.49 0.00 0.00 175.26 175.00 1q3h n GLU 403 N 0.47 1.38 0.00 1.61 2.13 -1.26 -2.21 120.64 122.77 1q3h n GLU 403 Ca -0.14 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.18 1q3h n GLU 403 Cb 0.56 -2.18 0.00 0.00 0.27 0.00 0.00 31.44 30.09 1q3h n GLU 403 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1q3h n GLY 404 N 2.84 3.05 0.32 8.31 0.00 -1.26 -4.89 105.19 113.56 1q3h n GLY 404 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.24 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 0.64 -0.41 1.61 3.04 -1.81 -1.79 116.94 118.21 1q3h h PHE 405 Ca 0.00 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 61.83 1q3h h PHE 405 Cb 0.00 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.28 1q3h h PHE 405 CO 0.00 0.40 -0.26 0.78 -2.02 0.00 0.00 178.31 177.21 1q3h h GLY 406 N 0.69 0.98 1.90 2.40 0.00 -1.90 -1.40 103.07 105.75 1q3h h GLY 406 Ca 0.19 -0.92 -0.10 0.00 0.00 0.00 0.00 47.33 46.50 1q3h h GLY 406 CO -0.04 0.84 -0.42 -2.09 0.00 0.00 0.00 176.54 174.82 1q3h h GLU 407 N 0.73 0.11 -0.15 4.80 4.57 -1.86 -1.19 114.58 121.59 1q3h h GLU 407 Ca 0.09 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1q3h h GLU 407 Cb 0.83 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 1q3h h GLU 407 CO 0.07 0.51 0.02 1.25 -1.18 0.00 0.00 179.01 179.68 1q3h h LEU 408 N 0.09 0.24 -2.05 1.64 6.46 -1.07 0.35 115.31 120.96 1q3h h LEU 408 Ca 0.01 -0.27 0.06 0.00 -0.12 0.00 0.00 57.88 57.56 1q3h h LEU 408 Cb 0.78 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.64 1q3h h LEU 408 CO 0.06 0.45 0.16 -0.07 -0.62 0.00 0.00 178.44 178.42 1q3h h LEU 409 N 0.02 0.00 -0.12 2.25 3.38 -1.05 -1.39 115.31 118.40 1q3h h LEU 409 Ca 0.04 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.78 1q3h h LEU 409 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1q3h h LEU 409 CO 0.00 0.00 -1.00 -0.08 0.09 0.00 0.00 178.44 177.45 1q3h h GLU 410 N 0.00 0.34 -1.66 1.13 4.81 -0.35 -3.20 114.58 115.65 1q3h h GLU 410 Ca 0.10 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1q3h h GLU 410 Cb 0.42 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1q3h h GLU 410 CO -0.00 1.10 0.00 1.63 -0.73 0.00 0.00 179.01 181.01 1q3h n LYS 411 N -3.68 0.84 0.00 1.92 5.02 0.12 -5.07 118.16 117.30 1q3h n LYS 411 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1q3h n LYS 411 Cb 0.87 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 34.80 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 1.17 0.00 0.00 -0.18 0.31 -1.21 -5.01 118.33 113.41 1q3h n VAL 412 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1q3h n VAL 412 Cb 0.42 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 1q3h n VAL 412 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1q3h n VAL 428 N -1.41 0.00 -3.73 2.52 0.31 -1.26 -4.76 118.33 110.00 1q3h n VAL 428 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.05 1q3h n VAL 428 Cb 0.00 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 32.77 1q3h n VAL 428 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1q3h s SER 429 N 0.00 2.92 0.25 4.52 0.15 -1.26 -5.02 113.70 115.26 1q3h s SER 429 Ca 0.00 -0.83 -0.05 0.00 0.70 0.00 0.00 55.95 55.77 1q3h s SER 429 Cb 0.00 -0.59 0.28 0.00 -1.71 0.00 0.00 66.02 64.00 1q3h s SER 429 CO 0.00 -0.31 1.91 -0.26 1.20 0.00 0.00 173.24 175.79 1q3h h PHE 430 N 8.24 1.21 -0.80 3.44 0.04 -2.00 -1.37 116.94 125.71 1q3h h PHE 430 Ca -0.16 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.62 1q3h h PHE 430 Cb 1.12 -0.40 -0.04 0.00 2.20 0.00 0.00 35.95 38.83 1q3h h PHE 430 CO 0.28 0.79 0.49 0.77 -0.60 0.00 0.00 178.31 180.04 1q3h h SER 431 N 1.29 0.96 -0.35 2.17 0.02 -1.98 -1.03 113.55 114.62 1q3h h SER 431 Ca 0.34 -0.06 -0.16 0.00 -0.84 0.00 0.00 61.79 61.07 1q3h h SER 431 Cb -0.09 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.20 1q3h h SER 431 CO -0.07 0.73 -0.41 0.45 -1.14 0.00 0.00 176.83 176.40 1q3h h HIS 432 N 1.09 1.08 -0.56 3.45 3.86 -1.82 0.24 115.15 122.49 1q3h h HIS 432 Ca 0.29 -0.34 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 1q3h h HIS 432 Cb -0.05 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.17 1q3h h HIS 432 CO -0.01 1.16 0.28 -0.07 0.86 0.00 0.00 177.93 180.16 1q3h h LEU 433 N 0.70 0.70 -0.03 2.43 3.38 -1.05 -1.72 115.31 119.72 1q3h h LEU 433 Ca 0.05 -0.06 -0.26 0.00 0.09 0.00 0.00 57.88 57.70 1q3h h LEU 433 Cb 1.00 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.59 1q3h h LEU 433 CO 0.10 0.59 -1.09 0.00 0.09 0.00 0.00 178.44 178.13 1q3h h LEU 435 N 0.21 -0.17 -0.72 0.00 5.85 -0.29 -3.18 115.31 117.01 1q3h h LEU 435 Ca -0.12 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1q3h h LEU 435 Cb 1.76 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.83 1q3h h LEU 435 CO 0.19 0.08 0.00 0.58 -0.34 0.00 0.00 178.44 178.95 1q3h h VAL 436 N -0.41 0.00 -3.32 1.05 2.07 -1.43 -3.48 116.25 110.73 1q3h h VAL 436 Ca -0.02 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 1q3h h VAL 436 Cb 0.33 1.32 0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1q3h h VAL 436 CO 0.03 0.00 -0.12 0.61 0.02 0.00 0.00 177.57 178.11 1q3h n GLY 437 N 0.36 0.61 3.74 2.17 0.00 -1.12 -5.07 105.19 105.88 1q3h n GLY 437 Ca 0.02 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.06 5.53 0.30 1.61 0.01 -1.07 -4.96 114.94 113.30 1q3h s ASN 438 Ca 0.06 0.19 -0.29 0.00 -0.71 0.00 0.00 52.86 52.11 1q3h s ASN 438 Cb -0.01 -1.60 -0.10 0.00 0.41 0.00 0.00 41.25 39.95 1q3h s ASN 438 CO 0.10 0.35 1.16 -2.16 -1.51 0.00 0.00 177.10 175.04 1q3h s PRO 439 N -1.16 4.54 -0.02 -0.60 0.04 -1.26 -0.52 135.00 136.02 1q3h s PRO 439 Ca 0.16 1.92 0.13 0.00 0.04 0.00 0.00 61.00 63.25 1q3h s PRO 439 Cb -0.12 -3.13 -0.21 0.00 0.04 0.00 0.00 34.50 31.08 1q3h s PRO 439 CO 0.06 0.08 0.72 -0.24 0.04 0.00 0.00 177.00 177.66 1q3h h VAL 440 N 3.05 0.79 -3.69 -0.36 3.04 -1.04 -3.45 116.25 114.58 1q3h h VAL 440 Ca -0.47 -2.56 -0.33 0.00 -1.01 0.00 0.00 66.70 62.32 1q3h h VAL 440 Cb 1.22 2.34 -0.31 0.00 -2.01 0.00 0.00 31.29 32.53 1q3h h VAL 440 CO 0.66 0.45 -0.75 -0.76 -1.01 0.00 0.00 177.57 176.16 1q3h s LEU 441 N -6.04 1.63 -0.06 3.16 1.43 -1.15 -4.36 118.68 113.29 1q3h s LEU 441 Ca -0.04 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1q3h s LEU 441 Cb 0.08 -0.25 0.02 0.00 0.03 0.00 0.00 46.19 46.08 1q3h s LEU 441 CO 0.82 -0.01 -0.05 -0.75 0.23 0.00 0.00 176.35 176.58 1q3h s LYS 442 N 0.42 0.99 -1.32 1.70 2.20 -0.22 -0.17 119.74 123.34 1q3h s LYS 442 Ca -0.04 -0.13 -0.04 0.00 -0.36 0.00 0.00 55.97 55.40 1q3h s LYS 442 Cb -0.08 -1.02 -0.00 0.00 -1.51 0.00 0.00 37.83 35.22 1q3h s LYS 442 CO -0.01 -0.12 0.58 0.09 -0.36 0.00 0.00 175.35 175.54 1q3h n ASN 443 N 4.28 -1.51 -4.72 1.43 3.02 -0.36 -4.32 115.26 113.07 1q3h n ASN 443 Ca -0.20 -0.94 -0.40 0.00 -0.03 0.00 0.00 54.58 53.01 1q3h n ASN 443 Cb 0.51 -3.49 -0.05 0.00 -0.61 0.00 0.00 39.78 36.14 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 -3.77 4.98 -0.05 2.41 -1.09 0.10 -4.70 121.20 119.08 1q3h s ILE 444 Ca 0.09 1.51 0.02 0.00 -2.23 0.00 0.00 60.65 60.04 1q3h s ILE 444 Cb -0.03 -4.07 0.01 0.00 -1.58 0.00 0.00 42.46 36.80 1q3h s ILE 444 CO 0.85 0.27 -0.11 0.20 -1.23 0.00 0.00 174.94 174.93 1q3h s ASN 445 N 0.63 1.56 0.03 3.58 0.01 -1.26 -1.03 114.94 118.47 1q3h s ASN 445 Ca 0.38 -0.26 -0.21 0.00 -0.71 0.00 0.00 52.86 52.07 1q3h s ASN 445 Cb -0.18 -0.67 0.04 0.00 0.41 0.00 0.00 41.25 40.85 1q3h s ASN 445 CO 0.20 0.03 0.47 -1.48 -1.51 0.00 0.00 177.10 174.80 1q3h s LEU 446 N 0.59 0.17 -0.24 0.60 0.05 -0.39 -4.94 118.68 114.52 1q3h s LEU 446 Ca -0.12 0.13 -0.03 0.00 0.05 0.00 0.00 54.13 54.17 1q3h s LEU 446 Cb -0.14 1.92 0.08 0.00 -2.05 0.00 0.00 46.19 45.99 1q3h s LEU 446 CO 0.03 -0.66 0.07 0.21 -0.55 0.00 0.00 176.35 175.44 1q3h s ASN 447 N -1.87 3.29 -0.18 1.48 2.47 -1.26 0.20 114.94 119.07 1q3h s ASN 447 Ca -0.06 -1.11 -0.02 0.00 0.42 0.00 0.00 52.86 52.08 1q3h s ASN 447 Cb -0.01 -0.61 -0.01 0.00 -1.45 0.00 0.00 41.25 39.18 1q3h s ASN 447 CO -0.01 -0.36 -0.08 -0.63 -3.72 0.00 0.00 177.10 172.30 1q3h s ILE 448 N 1.85 3.19 0.42 -5.21 -1.09 0.10 -5.01 121.20 115.46 1q3h s ILE 448 Ca 0.04 -0.57 -0.11 0.00 -2.23 0.00 0.00 60.65 57.77 1q3h s ILE 448 Cb -0.17 -2.41 -0.07 0.00 -1.58 0.00 0.00 42.46 38.24 1q3h s ILE 448 CO -0.18 0.47 0.80 -1.61 -1.23 0.00 0.00 174.94 173.19 1q3h s GLU 449 N 1.04 3.80 0.05 2.79 2.02 -1.26 -0.37 118.70 126.77 1q3h s GLU 449 Ca 0.00 0.52 -0.36 0.00 0.02 0.00 0.00 54.97 55.16 1q3h s GLU 449 Cb -0.15 -2.36 -0.19 0.00 0.10 0.00 0.00 34.13 31.54 1q3h s GLU 449 CO -0.01 -0.07 0.90 1.63 0.02 0.00 0.00 175.26 177.74 1q3h n LYS 450 N -1.34 0.00 0.00 1.61 4.01 -1.26 -1.40 118.16 119.79 1q3h n LYS 450 Ca 0.03 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 1q3h n LYS 450 Cb 0.54 -1.33 0.00 0.00 -0.51 0.00 0.00 35.03 33.73 1q3h n LYS 450 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1q3h n GLY 451 N 1.56 2.51 3.84 0.72 0.00 -1.26 -4.91 105.19 107.65 1q3h n GLY 451 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.38 3.63 -0.21 1.61 2.02 -0.49 -4.28 118.70 120.60 1q3h s GLU 452 Ca 0.00 0.92 -0.02 0.00 0.02 0.00 0.00 54.97 55.88 1q3h s GLU 452 Cb 0.00 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.15 1q3h s GLU 452 CO 0.00 -0.54 -0.08 1.41 0.02 0.00 0.00 175.26 176.07 1q3h s MET 453 N -4.56 3.24 -0.20 1.61 -2.45 -1.26 -1.86 119.30 113.81 1q3h s MET 453 Ca 0.58 -0.71 -0.16 0.00 -1.25 0.00 0.00 55.69 54.16 1q3h s MET 453 Cb -0.12 -2.90 -0.04 0.00 1.25 0.00 0.00 34.83 33.02 1q3h s MET 453 CO 0.42 -0.22 0.39 -1.17 1.05 0.00 0.00 175.02 175.49 1q3h s LEU 454 N 1.42 4.16 -0.24 4.11 0.20 -0.22 -1.13 118.68 126.97 1q3h s LEU 454 Ca 0.05 0.50 -0.13 0.00 0.69 0.00 0.00 54.13 55.25 1q3h s LEU 454 Cb -0.14 -2.50 -0.05 0.00 -0.43 0.00 0.00 46.19 43.08 1q3h s LEU 454 CO -0.06 -0.07 0.25 0.00 -0.29 0.00 0.00 176.35 176.19 1q3h s ALA 455 N 1.28 3.58 -0.20 5.97 0.00 0.03 -0.82 121.76 131.59 1q3h s ALA 455 Ca 0.19 -0.81 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 1q3h s ALA 455 Cb -0.15 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 1q3h s ALA 455 CO 0.08 -0.32 -0.03 0.42 0.00 0.00 0.00 175.76 175.90 1q3h s ILE 456 N 1.33 3.59 0.09 0.00 1.01 0.73 -0.95 121.20 127.00 1q3h s ILE 456 Ca 0.11 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.35 1q3h s ILE 456 Cb -0.14 -2.62 -0.01 0.00 0.01 0.00 0.00 42.46 39.70 1q3h s ILE 456 CO 0.07 0.44 0.06 1.07 0.00 0.00 0.00 174.94 176.57 1q3h n THR 457 N 4.40 0.00 -2.32 2.92 5.66 -0.24 -0.62 114.28 124.09 1q3h n THR 457 Ca -0.18 -0.60 0.00 0.00 -3.05 0.00 0.00 64.05 60.22 1q3h n THR 457 Cb 0.51 0.27 0.00 0.00 -1.55 0.00 0.00 70.33 69.56 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 0.54 -0.58 3.89 1.09 0.00 -1.26 -0.73 105.19 108.14 1q3h n GLY 458 Ca 0.01 -1.49 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.68 5.89 0.22 1.61 1.04 -1.05 -4.69 113.70 113.04 1q3h s SER 459 Ca 0.00 1.09 -0.32 0.00 0.48 0.00 0.00 55.95 57.20 1q3h s SER 459 Cb 0.00 -2.12 -0.14 0.00 0.10 0.00 0.00 66.02 63.87 1q3h s SER 459 CO 0.00 -0.97 1.44 1.07 0.98 0.00 0.00 173.24 175.75 1q3h n THR 460 N -2.68 0.71 -3.62 2.02 5.66 -1.26 -2.04 114.28 113.07 1q3h n THR 460 Ca 0.05 -0.18 -0.24 0.00 -3.05 0.00 0.00 64.05 60.63 1q3h n THR 460 Cb 0.56 -1.45 0.08 0.00 -1.55 0.00 0.00 70.33 67.96 1q3h n THR 460 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1q3h n GLY 461 N 2.44 -0.54 0.11 1.09 0.00 -1.26 -4.90 105.19 102.13 1q3h n GLY 461 Ca 0.13 0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.52 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 -3.01 0.79 0.00 1.61 3.41 -0.87 -4.65 113.62 110.90 1q3h n SER 462 Ca 0.00 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 58.03 1q3h n SER 462 Cb 0.56 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 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 1.44 1.36 0.08 5.00 0.00 -1.26 -1.34 105.19 110.48 1q3h n GLY 463 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 -0.10 -0.57 1.61 1.57 -1.91 -1.82 116.57 115.35 1q3h h LYS 464 Ca 0.00 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1q3h h LYS 464 Cb 0.00 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1q3h h LYS 464 CO 0.00 0.14 0.26 1.15 -0.57 0.00 0.00 179.45 180.43 1q3h h THR 465 N -0.33 1.20 -0.11 -0.16 2.02 -2.00 -2.73 112.91 110.79 1q3h h THR 465 Ca -0.01 -0.57 -0.07 0.00 0.77 0.00 0.00 66.41 66.53 1q3h h THR 465 Cb 0.29 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1q3h h THR 465 CO 0.02 0.23 -0.23 0.28 0.37 0.00 0.00 175.52 176.19 1q3h h SER 466 N 0.81 0.19 -0.59 4.18 0.02 -1.92 -0.77 113.55 115.46 1q3h h SER 466 Ca 0.20 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 1q3h h SER 466 Cb 0.11 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1q3h h SER 466 CO -0.02 0.43 0.15 0.25 -1.14 0.00 0.00 176.83 176.50 1q3h h LEU 467 N 0.18 0.89 -0.67 5.07 5.85 -1.02 -0.18 115.31 125.44 1q3h h LEU 467 Ca 0.03 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.53 1q3h h LEU 467 Cb 0.51 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1q3h h LEU 467 CO 0.04 0.89 0.44 -0.07 -0.34 0.00 0.00 178.44 179.39 1q3h h LEU 468 N 0.85 0.75 -1.40 2.25 4.07 -1.29 -1.51 115.31 119.03 1q3h h LEU 468 Ca 0.19 -0.01 0.06 0.00 0.08 0.00 0.00 57.88 58.19 1q3h h LEU 468 Cb 0.35 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 41.86 1q3h h LEU 468 CO 0.00 0.53 0.46 0.24 -1.08 0.00 0.00 178.44 178.60 1q3h h MET 469 N 0.88 0.71 -0.40 1.13 2.86 -0.73 -1.13 114.93 118.25 1q3h h MET 469 Ca 0.25 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.80 1q3h h MET 469 Cb -0.07 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.41 1q3h h MET 469 CO -0.07 0.47 0.05 1.25 1.06 0.00 0.00 176.91 179.68 1q3h h LEU 470 N 0.73 0.64 -1.46 1.22 5.85 -0.05 -0.15 115.31 122.10 1q3h h LEU 470 Ca 0.30 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1q3h h LEU 470 Cb 0.25 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1q3h h LEU 470 CO -0.10 0.75 -0.08 0.40 -0.34 0.00 0.00 178.44 179.07 1q3h h ILE 471 N 0.51 1.16 0.00 4.05 2.04 -0.87 -1.77 117.51 122.63 1q3h h ILE 471 Ca 0.12 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1q3h h ILE 471 Cb 0.39 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1q3h h ILE 471 CO 0.01 0.21 0.00 0.18 0.00 0.00 0.00 178.15 178.55 1q3h n LEU 472 N -4.31 0.00 -0.11 1.44 4.77 -0.47 -4.90 117.00 113.42 1q3h n LEU 472 Ca -0.00 0.44 -0.01 0.00 -0.03 0.00 0.00 56.01 56.41 1q3h n LEU 472 Cb 0.23 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 1q3h n LEU 472 CO 0.37 -0.03 -0.01 0.61 -1.33 0.00 0.00 177.39 177.00 1q3h n GLY 473 N 1.22 0.51 0.07 -0.72 0.00 -0.67 -4.88 105.19 100.73 1q3h n GLY 473 Ca 0.08 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.55 1q3h n GLY 473 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q3h n GLU 474 N -2.83 0.24 -4.25 1.61 -0.58 -0.15 -4.76 120.64 109.92 1q3h n GLU 474 Ca -0.01 0.11 -0.19 0.00 -0.42 0.00 0.00 57.16 56.65 1q3h n GLU 474 Cb 0.06 -1.70 -0.15 0.00 -0.57 0.00 0.00 31.44 29.08 1q3h n GLU 474 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1q3h s LEU 475 N -4.15 1.76 -0.13 -4.62 2.96 -1.15 -4.95 118.68 108.40 1q3h s LEU 475 Ca 0.08 -0.14 -0.14 0.00 -0.22 0.00 0.00 54.13 53.72 1q3h s LEU 475 Cb 0.14 -0.42 -0.05 0.00 0.50 0.00 0.00 46.19 46.36 1q3h s LEU 475 CO 0.67 0.04 0.33 -1.83 -1.32 0.00 0.00 176.35 174.24 1q3h s GLU 476 N 0.23 4.16 -0.65 1.98 1.03 -1.26 -4.46 118.70 119.73 1q3h s GLU 476 Ca -0.03 0.18 -0.27 0.00 0.03 0.00 0.00 54.97 54.88 1q3h s GLU 476 Cb -0.08 -3.38 -0.00 0.00 -0.80 0.00 0.00 34.13 29.87 1q3h s GLU 476 CO 0.00 0.34 1.67 0.00 -1.33 0.00 0.00 175.26 175.94 1q3h s ALA 477 N 0.14 2.36 0.26 -0.84 0.00 -1.26 -4.37 121.76 118.05 1q3h s ALA 477 Ca 0.19 -0.88 0.11 0.00 0.00 0.00 0.00 51.96 51.38 1q3h s ALA 477 Cb -0.14 -4.29 0.40 0.00 0.00 0.00 0.00 23.12 19.09 1q3h s ALA 477 CO 0.06 -3.70 1.63 0.77 0.00 0.00 0.00 175.76 174.52 1q3h h SER 478 N 13.38 0.00 -4.45 0.00 0.02 -1.65 -3.44 113.55 117.41 1q3h h SER 478 Ca -0.27 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.40 1q3h h SER 478 Cb 1.13 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.50 1q3h h SER 478 CO 1.24 0.59 -0.72 -1.61 -1.14 0.00 0.00 176.83 175.19 1q3h s GLU 479 N -3.62 0.84 0.55 3.45 2.02 -0.86 -4.99 118.70 116.08 1q3h s GLU 479 Ca -0.01 -1.22 0.00 0.00 0.02 0.00 0.00 54.97 53.76 1q3h s GLU 479 Cb 0.13 -0.40 0.00 0.00 0.10 0.00 0.00 34.13 33.96 1q3h s GLU 479 CO 0.75 0.04 0.00 0.41 0.02 0.00 0.00 175.26 176.48 1q3h n GLY 480 N 0.33 -2.09 3.07 -1.39 0.00 -1.21 -2.38 105.19 101.51 1q3h n GLY 480 Ca -0.14 -1.43 -0.22 0.00 0.00 0.00 0.00 46.02 44.23 1q3h n GLY 480 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1q3h s ILE 481 N -0.64 0.98 -0.11 -0.61 1.10 -0.35 -4.90 121.20 116.66 1q3h s ILE 481 Ca 0.00 -0.51 0.03 0.00 -0.51 0.00 0.00 60.65 59.66 1q3h s ILE 481 Cb 0.00 -0.84 0.01 0.00 0.15 0.00 0.00 42.46 41.78 1q3h s ILE 481 CO 0.00 0.29 -0.20 -0.51 -2.11 0.00 0.00 174.94 172.41 1q3h s ILE 482 N -0.13 1.83 -0.17 2.00 -1.16 -1.26 -0.02 121.20 122.28 1q3h s ILE 482 Ca 0.02 -0.85 0.01 0.00 -0.51 0.00 0.00 60.65 59.31 1q3h s ILE 482 Cb -0.07 -1.62 0.02 0.00 0.61 0.00 0.00 42.46 41.41 1q3h s ILE 482 CO 0.00 0.51 -0.18 -0.54 -2.81 0.00 0.00 174.94 171.91 1q3h s LYS 483 N 0.72 2.82 -0.08 3.50 1.02 0.16 -4.98 119.74 122.90 1q3h s LYS 483 Ca -0.11 -0.78 -0.30 0.00 0.02 0.00 0.00 55.97 54.80 1q3h s LYS 483 Cb -0.16 -2.47 0.09 0.00 -0.52 0.00 0.00 37.83 34.77 1q3h s LYS 483 CO 0.02 -0.22 0.79 -3.38 -0.92 0.00 0.00 175.35 171.63 1q3h s HIS 484 N 1.33 -0.56 0.12 3.18 -3.43 -1.26 -1.25 115.29 113.43 1q3h s HIS 484 Ca 0.05 0.93 0.09 0.00 -0.80 0.00 0.00 55.06 55.33 1q3h s HIS 484 Cb -0.13 0.43 -0.04 0.00 -1.43 0.00 0.00 32.58 31.41 1q3h s HIS 484 CO -0.12 -0.53 -0.21 -1.54 -2.00 0.00 0.00 174.74 170.34 1q3h s SER 485 N -1.22 2.70 0.00 7.38 1.04 -1.26 -5.09 113.70 117.25 1q3h s SER 485 Ca -0.07 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.61 1q3h s SER 485 Cb -0.00 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1q3h s SER 485 CO 0.06 0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.95 1q3h n GLY 486 N 0.85 -1.70 3.76 7.32 0.00 -1.26 -4.52 105.19 109.64 1q3h n GLY 486 Ca -0.18 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 43.85 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 0.00 4.65 0.00 1.61 3.00 -1.26 -4.92 118.95 122.03 1q3h s ARG 487 Ca 0.00 1.63 0.06 0.00 0.00 0.00 0.00 55.73 57.42 1q3h s ARG 487 Cb 0.00 -3.11 -0.03 0.00 0.00 0.00 0.00 34.95 31.81 1q3h s ARG 487 CO 0.00 0.27 -0.17 0.54 0.00 0.00 0.00 175.30 175.94 1q3h s VAL 488 N -1.26 2.84 -0.16 3.52 0.11 -1.26 -1.18 120.40 123.01 1q3h s VAL 488 Ca 0.45 -1.00 -0.05 0.00 -2.93 0.00 0.00 61.98 58.46 1q3h s VAL 488 Cb -0.28 -2.15 -0.03 0.00 -1.53 0.00 0.00 36.38 32.39 1q3h s VAL 488 CO 0.35 0.46 0.01 -0.55 -3.33 0.00 0.00 175.10 172.04 1q3h s SER 489 N -1.10 5.19 -0.21 3.54 0.15 0.13 -4.95 113.70 116.44 1q3h s SER 489 Ca 0.13 -0.01 -0.01 0.00 0.70 0.00 0.00 55.95 56.76 1q3h s SER 489 Cb -0.10 -1.83 0.02 0.00 -1.71 0.00 0.00 66.02 62.39 1q3h s SER 489 CO 0.03 0.19 -0.12 0.12 1.20 0.00 0.00 173.24 174.66 1q3h s PHE 490 N 0.23 2.93 -0.47 3.44 5.36 -1.26 -0.04 117.98 128.17 1q3h s PHE 490 Ca 0.00 -1.51 -0.12 0.00 -0.96 0.00 0.00 56.93 54.34 1q3h s PHE 490 Cb -0.13 -2.00 0.10 0.00 -0.34 0.00 0.00 43.02 40.65 1q3h s PHE 490 CO 0.02 -0.73 0.37 0.00 -1.46 0.00 0.00 175.22 173.42 1q3h s SER 492 N 2.73 5.57 0.29 0.00 1.04 -1.26 -1.01 113.70 121.06 1q3h s SER 492 Ca 0.04 1.53 -0.03 0.00 0.48 0.00 0.00 55.95 57.97 1q3h s SER 492 Cb -0.26 -2.44 0.42 0.00 0.10 0.00 0.00 66.02 63.84 1q3h s SER 492 CO 0.03 -1.31 1.96 -0.61 0.98 0.00 0.00 173.24 174.29 1q3h h GLN 493 N -0.62 1.11 -5.85 4.02 4.15 -1.92 -3.38 115.11 112.62 1q3h h GLN 493 Ca -0.44 -0.07 -0.59 0.00 0.77 0.00 0.00 58.65 58.32 1q3h h GLN 493 Cb 1.21 -0.25 -0.08 0.00 0.21 0.00 0.00 27.48 28.57 1q3h h GLN 493 CO 0.59 0.74 0.40 0.12 -1.93 0.00 0.00 178.83 178.75 1q3h s PHE 494 N -5.93 3.37 -0.50 3.99 5.36 -1.26 -4.94 117.98 118.07 1q3h s PHE 494 Ca -0.12 1.17 -0.25 0.00 -0.96 0.00 0.00 56.93 56.77 1q3h s PHE 494 Cb 0.18 -3.01 0.03 0.00 -0.34 0.00 0.00 43.02 39.88 1q3h s PHE 494 CO 0.80 -0.30 0.93 -1.12 -1.46 0.00 0.00 175.22 174.07 1q3h s SER 495 N 1.24 6.44 0.09 6.13 0.01 -1.26 -5.02 113.70 121.32 1q3h s SER 495 Ca 0.36 -0.06 -0.05 0.00 1.31 0.00 0.00 55.95 57.51 1q3h s SER 495 Cb -0.16 -2.45 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 1q3h s SER 495 CO 0.10 -1.12 0.32 -1.66 0.41 0.00 0.00 173.24 171.29 1q3h s TRP 496 N 3.85 3.52 -0.08 2.43 1.48 -1.26 -4.94 118.94 123.93 1q3h s TRP 496 Ca 0.35 0.53 -0.00 0.00 -1.06 0.00 0.00 56.10 55.92 1q3h s TRP 496 Cb -0.11 -1.98 0.02 0.00 -1.16 0.00 0.00 33.47 30.25 1q3h s TRP 496 CO 0.24 0.52 -0.05 0.42 -4.06 0.00 0.00 176.95 174.02 1q3h s ILE 497 N -1.51 0.70 0.16 0.66 -1.09 -1.26 -4.81 121.20 114.05 1q3h s ILE 497 Ca 0.36 -0.13 -0.15 0.00 -2.23 0.00 0.00 60.65 58.50 1q3h s ILE 497 Cb -0.13 -0.75 -0.07 0.00 -1.58 0.00 0.00 42.46 39.93 1q3h s ILE 497 CO 0.22 0.30 0.58 0.00 -1.23 0.00 0.00 174.94 174.81 1q3h s MET 498 N 1.50 4.01 0.40 2.79 0.23 -1.26 -1.71 119.30 125.26 1q3h s MET 498 Ca -0.01 0.54 -0.27 0.00 -1.03 0.00 0.00 55.69 54.92 1q3h s MET 498 Cb -0.13 -2.91 -0.10 0.00 -1.53 0.00 0.00 34.83 30.16 1q3h s MET 498 CO -0.04 0.46 1.40 -0.35 -2.03 0.00 0.00 175.02 174.46 1q3h n PRO 499 N 0.75 2.34 0.00 3.16 -0.04 -1.26 -4.71 135.00 135.24 1q3h n PRO 499 Ca -0.05 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 1q3h n PRO 499 Cb 0.52 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 1q3h n PRO 499 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q3h n GLY 500 N 0.60 1.27 3.91 0.55 0.00 -0.86 -4.98 105.19 105.69 1q3h n GLY 500 Ca 0.04 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.12 2.04 0.19 2.61 -4.23 -1.26 0.50 115.64 114.37 1q3h s THR 501 Ca 0.00 -0.05 -0.11 0.00 -1.18 0.00 0.00 61.69 60.35 1q3h s THR 501 Cb 0.00 -2.99 0.11 0.00 1.34 0.00 0.00 72.50 70.96 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 -1.13 1.22 -0.36 2.99 2.04 -1.24 -2.16 117.51 118.87 1q3h h ILE 502 Ca -0.45 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 64.77 1q3h h ILE 502 Cb 1.30 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1q3h h ILE 502 CO 0.58 0.26 0.10 0.50 0.00 0.00 0.00 178.15 179.58 1q3h h LYS 503 N 0.93 0.57 -0.23 2.37 3.64 -1.55 -2.52 116.57 119.78 1q3h h LYS 503 Ca 0.23 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1q3h h LYS 503 Cb 0.10 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1q3h h LYS 503 CO -0.03 0.60 -0.01 0.93 -2.27 0.00 0.00 179.45 178.67 1q3h h GLU 504 N 0.43 0.34 -0.35 1.90 5.08 -1.80 -0.87 114.58 119.32 1q3h h GLU 504 Ca 0.12 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 1q3h h GLU 504 Cb 0.28 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1q3h h GLU 504 CO -0.00 0.38 -0.29 -0.91 -1.00 0.00 0.00 179.01 177.19 1q3h h ASN 505 N 0.34 0.76 0.31 1.42 2.35 -1.15 -1.15 115.58 118.45 1q3h h ASN 505 Ca 0.08 -0.30 -0.20 0.00 -0.55 0.00 0.00 56.30 55.33 1q3h h ASN 505 Cb 0.25 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1q3h h ASN 505 CO 0.01 1.00 -0.81 0.40 -1.65 0.00 0.00 177.43 176.38 1q3h h ILE 506 N 0.63 1.40 -0.38 2.81 2.04 -0.93 -3.27 117.51 119.81 1q3h h ILE 506 Ca 0.08 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.66 1q3h h ILE 506 Cb 0.80 2.24 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 1q3h h ILE 506 CO 0.07 0.68 0.00 -0.38 0.00 0.00 0.00 178.15 178.52 1q3h n ILE 507 N -3.79 0.53 -1.42 -0.67 5.41 -0.40 -4.22 119.36 114.80 1q3h n ILE 507 Ca -0.05 -0.77 -0.56 0.00 1.00 0.00 0.00 62.75 62.38 1q3h n ILE 507 Cb 0.76 0.95 -0.09 0.00 -0.71 0.00 0.00 39.64 40.54 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 1.38 1.51 -1.40 1.39 7.35 -0.44 -1.56 117.46 125.68 1q3h n PHE 508 Ca 0.18 0.52 -0.04 0.00 -0.76 0.00 0.00 57.45 57.35 1q3h n PHE 508 Cb 0.57 -2.42 -0.01 0.00 0.35 0.00 0.00 39.48 37.97 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 6.49 0.56 2.93 7.13 0.00 -1.26 -5.02 105.19 116.02 1q3h n GLY 509 Ca 0.44 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.17 0.10 0.32 1.61 1.01 -0.60 -5.13 120.40 115.53 1q3h s VAL 510 Ca 0.00 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 1q3h s VAL 510 Cb 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 36.38 36.12 1q3h s VAL 510 CO 0.00 -0.20 1.38 -0.94 0.00 0.00 0.00 175.10 175.34 1q3h s SER 511 N -0.65 6.64 0.07 3.32 1.04 -1.26 -4.94 113.70 117.92 1q3h s SER 511 Ca -0.06 2.77 -0.30 0.00 0.48 0.00 0.00 55.95 58.84 1q3h s SER 511 Cb -0.04 -2.65 -0.05 0.00 0.10 0.00 0.00 66.02 63.38 1q3h s SER 511 CO -0.00 -0.66 1.03 -0.47 0.98 0.00 0.00 173.24 174.12 1q3h s TYR 512 N -0.85 3.66 -0.35 5.02 5.04 -1.26 -5.02 117.35 123.58 1q3h s TYR 512 Ca 0.52 1.65 -0.00 0.00 -2.44 0.00 0.00 57.07 56.81 1q3h s TYR 512 Cb -0.42 -3.17 0.12 0.00 0.35 0.00 0.00 41.96 38.84 1q3h s TYR 512 CO 0.53 -0.23 0.16 0.34 -1.34 0.00 0.00 175.55 175.01 1q3h s ASP 513 N 0.55 3.67 0.20 4.32 3.68 -1.26 -5.04 116.67 122.79 1q3h s ASP 513 Ca 0.51 -2.00 -0.14 0.00 2.13 0.00 0.00 52.55 53.05 1q3h s ASP 513 Cb -0.24 -0.78 0.23 0.00 -1.45 0.00 0.00 42.92 40.68 1q3h s ASP 513 CO 0.30 -0.35 1.34 1.21 0.13 0.00 0.00 175.17 177.79 1q3h n GLU 514 N 4.35 -0.19 -0.04 4.34 4.07 -1.26 -0.31 120.64 131.61 1q3h n GLU 514 Ca 0.03 1.33 -0.07 0.00 -0.06 0.00 0.00 57.16 58.39 1q3h n GLU 514 Cb 0.39 -1.98 0.11 0.00 -0.06 0.00 0.00 31.44 29.90 1q3h n GLU 514 CO 0.00 0.00 0.00 -0.92 -0.06 0.00 0.00 177.13 176.15 1q3h h TYR 515 N 0.00 0.74 -0.19 4.31 3.20 -1.98 -1.22 116.97 121.83 1q3h h TYR 515 Ca 0.31 -0.19 -0.21 0.00 3.14 0.00 0.00 58.73 61.78 1q3h h TYR 515 Cb 0.53 -0.17 0.01 0.00 1.54 0.00 0.00 36.73 38.64 1q3h h TYR 515 CO -0.75 0.88 -0.72 -0.09 -1.64 0.00 0.00 178.16 175.84 1q3h h ARG 516 N 0.55 0.81 0.43 1.82 2.43 -1.09 -0.77 114.38 118.56 1q3h h ARG 516 Ca 0.06 -0.63 -0.02 0.00 -0.81 0.00 0.00 59.98 58.59 1q3h h ARG 516 Cb 0.80 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1q3h h ARG 516 CO 0.07 1.24 -0.20 -0.92 -1.51 0.00 0.00 179.97 178.64 1q3h h TYR 517 N 0.56 -0.53 -0.39 2.20 3.20 -0.60 -0.90 116.97 120.51 1q3h h TYR 517 Ca -0.04 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 1q3h h TYR 517 Cb 1.35 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.77 1q3h h TYR 517 CO 0.09 -0.25 0.24 0.87 -1.64 0.00 0.00 178.16 177.46 1q3h h LYS 518 N -0.72 0.53 -0.31 1.82 1.57 -1.29 -0.10 116.57 118.07 1q3h h LYS 518 Ca -0.06 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1q3h h LYS 518 Cb 0.51 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1q3h h LYS 518 CO 0.10 0.37 0.18 1.03 -0.57 0.00 0.00 179.45 180.55 1q3h h SER 519 N 0.54 0.37 -0.09 0.86 0.87 -1.02 -2.18 113.55 112.89 1q3h h SER 519 Ca 0.14 -0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.58 1q3h h SER 519 Cb -0.03 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1q3h h SER 519 CO -0.03 0.33 -0.16 0.58 -0.53 0.00 0.00 176.83 177.02 1q3h h VAL 520 N 0.39 1.39 -1.00 2.23 2.07 -0.34 -1.60 116.25 119.39 1q3h h VAL 520 Ca 0.11 -1.43 0.20 0.00 0.82 0.00 0.00 66.70 66.39 1q3h h VAL 520 Cb 0.03 2.11 -0.11 0.00 -1.52 0.00 0.00 31.29 31.80 1q3h h VAL 520 CO -0.02 0.41 0.61 0.58 0.02 0.00 0.00 177.57 179.17 1q3h h VAL 521 N -0.17 0.69 0.04 2.57 2.07 -1.08 -0.04 116.25 120.32 1q3h h VAL 521 Ca 0.01 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1q3h h VAL 521 Cb 0.74 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1q3h h VAL 521 CO 0.04 0.13 -0.02 0.50 0.02 0.00 0.00 177.57 178.24 1q3h h LYS 522 N 0.73 -0.05 0.00 1.57 3.64 -1.19 -1.79 116.57 119.47 1q3h h LYS 522 Ca 0.58 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.91 1q3h h LYS 522 Cb 0.95 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1q3h h LYS 522 CO -0.38 0.57 -0.24 0.00 -2.27 0.00 0.00 179.45 177.14 1q3h h ALA 523 N 0.12 1.40 -0.20 5.00 0.00 -0.93 -0.65 119.26 124.00 1q3h h ALA 523 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1q3h h ALA 523 Cb 0.65 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1q3h h ALA 523 CO 0.01 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.55 1q3h n GLN 525 N 0.09 -3.53 0.06 0.00 1.13 -0.25 -4.87 117.38 110.02 1q3h n GLN 525 Ca 0.07 0.91 0.12 0.00 -1.94 0.00 0.00 57.00 56.16 1q3h n GLN 525 Cb 0.20 -5.69 0.20 0.00 0.11 0.00 0.00 30.24 25.05 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 -3.59 0.70 -0.21 1.08 4.77 -0.68 -3.99 117.00 115.08 1q3h n LEU 526 Ca -0.16 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1q3h n LEU 526 Cb 0.64 -0.20 0.23 0.00 -2.33 0.00 0.00 43.42 41.77 1q3h n LEU 526 CO 0.39 -0.06 1.22 -0.61 -1.33 0.00 0.00 177.39 177.00 1q3h h GLN 527 N 0.00 0.99 0.00 3.23 5.75 -1.85 0.17 115.11 123.40 1q3h h GLN 527 Ca 0.00 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.39 1q3h h GLN 527 Cb 0.74 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 1q3h h GLN 527 CO 0.00 0.67 -0.19 1.96 -2.65 0.00 0.00 178.83 178.62 1q3h h GLN 528 N 1.01 0.00 0.00 1.69 7.50 -1.93 -2.83 115.11 120.55 1q3h h GLN 528 Ca 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.41 1q3h h GLN 528 Cb -0.08 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.45 1q3h h GLN 528 CO -0.05 0.19 -0.05 -0.44 -1.50 0.00 0.00 178.83 176.98 1q3h h ASP 529 N 0.00 0.00 0.63 1.46 3.32 -1.21 -3.38 116.42 117.24 1q3h h ASP 529 Ca -0.00 -0.58 -0.05 0.00 0.02 0.00 0.00 57.03 56.41 1q3h h ASP 529 Cb 0.54 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1q3h h ASP 529 CO 0.03 0.82 -0.25 0.16 -1.72 0.00 0.00 179.24 178.28 1q3h h ILE 530 N -1.00 0.74 0.00 0.35 3.07 -1.25 -1.78 117.51 117.64 1q3h h ILE 530 Ca -0.01 -1.04 0.00 0.00 1.55 0.00 0.00 64.86 65.36 1q3h h ILE 530 Cb 0.62 1.65 0.00 0.00 -0.27 0.00 0.00 36.82 38.82 1q3h h ILE 530 CO -0.01 0.24 0.00 0.00 -1.05 0.00 0.00 178.15 177.33 1q3h h THR 531 N 0.00 0.00 -0.00 0.16 1.03 -1.68 -1.32 112.91 111.10 1q3h h THR 531 Ca -0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 66.41 66.35 1q3h h THR 531 Cb 0.63 0.98 0.00 0.00 -1.07 0.00 0.00 68.15 68.69 1q3h h THR 531 CO 0.03 0.00 -0.21 0.29 -0.01 0.00 0.00 175.52 175.63 1q3h n LYS 532 N -2.98 0.30 -4.31 0.00 5.02 -0.67 -4.87 118.16 110.65 1q3h n LYS 532 Ca -0.02 -0.11 -0.35 0.00 -2.02 0.00 0.00 58.31 55.80 1q3h n LYS 532 Cb 0.09 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.51 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 -2.78 3.21 0.16 2.13 2.99 -0.50 -5.01 117.98 118.18 1q3h s PHE 533 Ca 0.19 0.23 -0.25 0.00 0.00 0.00 0.00 56.93 57.10 1q3h s PHE 533 Cb 0.19 -1.80 0.04 0.00 0.00 0.00 0.00 43.02 41.45 1q3h s PHE 533 CO 0.56 0.50 1.58 0.00 -0.00 0.00 0.00 175.22 177.86 1q3h h ALA 534 N 5.09 -0.29 -0.46 5.36 0.00 -1.89 -1.60 119.26 125.46 1q3h h ALA 534 Ca -0.51 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1q3h h ALA 534 Cb 1.20 0.85 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1q3h h ALA 534 CO 0.55 -0.79 0.00 0.39 0.00 0.00 0.00 179.25 179.39 1q3h n GLU 535 N -5.42 2.12 0.00 0.00 -0.58 -1.26 -5.03 120.64 110.48 1q3h n GLU 535 Ca 0.01 -1.74 0.00 0.00 -0.42 0.00 0.00 57.16 55.01 1q3h n GLU 535 Cb 0.35 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 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 0.92 0.00 0.00 3.49 6.02 -0.61 -1.12 117.38 126.09 1q3h n GLN 536 Ca 0.17 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.23 1q3h n GLN 536 Cb 0.42 0.00 0.44 0.00 1.02 0.00 0.00 30.24 32.12 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 2.54 0.00 -0.85 1.08 3.85 -1.26 -1.08 116.55 120.83 1q3h n ASP 537 Ca 0.00 -0.96 0.11 0.00 -0.71 0.00 0.00 54.79 53.24 1q3h n ASP 537 Cb 0.00 0.00 0.28 0.00 -1.35 0.00 0.00 41.12 40.05 1q3h n ASP 537 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1q3h n ASN 538 N -0.83 2.56 -4.71 -1.12 5.03 -0.27 -1.43 115.26 114.49 1q3h n ASN 538 Ca 0.11 -1.85 -0.42 0.00 0.87 0.00 0.00 54.58 53.29 1q3h n ASN 538 Cb 0.05 -0.14 -0.03 0.00 -1.02 0.00 0.00 39.78 38.64 1q3h n ASN 538 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1q3h s THR 539 N -1.71 2.38 -0.03 3.41 2.01 -0.24 -4.75 115.64 116.71 1q3h s THR 539 Ca 0.35 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 62.16 1q3h s THR 539 Cb 0.20 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 1q3h s THR 539 CO 0.29 0.00 1.13 -0.69 -0.69 0.00 0.00 174.62 174.67 1q3h s VAL 540 N 1.93 4.40 -0.08 3.82 1.01 -1.26 -1.70 120.40 128.51 1q3h s VAL 540 Ca 0.77 1.71 -0.03 0.00 0.00 0.00 0.00 61.98 64.43 1q3h s VAL 540 Cb -0.47 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 1q3h s VAL 540 CO 0.34 0.05 0.05 -0.76 0.00 0.00 0.00 175.10 174.78 1q3h s LEU 541 N 1.73 3.84 0.67 3.92 1.43 0.18 -4.95 118.68 125.51 1q3h s LEU 541 Ca 0.55 0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 53.76 1q3h s LEU 541 Cb -0.24 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 1q3h s LEU 541 CO 0.24 0.37 1.05 -0.83 0.23 0.00 0.00 176.35 177.41 1q3h s GLY 542 N -1.07 1.66 0.23 -3.19 0.00 -1.26 -2.03 107.32 101.66 1q3h s GLY 542 Ca 0.15 0.02 -0.32 0.00 0.00 0.00 0.00 44.72 44.58 1q3h s GLY 542 CO 0.05 0.32 1.37 1.18 0.00 0.00 0.00 173.10 176.01 1q3h n GLU 543 N -3.01 1.87 0.00 2.90 -0.58 -1.26 -0.02 120.64 120.54 1q3h n GLU 543 Ca 0.07 0.67 0.00 0.00 -0.42 0.00 0.00 57.16 57.48 1q3h n GLU 543 Cb 0.54 -2.30 0.00 0.00 -0.57 0.00 0.00 31.44 29.11 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 2.15 2.19 4.21 0.62 0.00 -0.70 -4.34 105.19 109.33 1q3h n GLY 544 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.17 0.23 -0.02 0.00 0.97 -4.77 105.19 99.44 1q3h n GLY 545 Ca 0.00 0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.82 1.01 -0.02 1.61 2.07 -1.77 -2.18 116.25 115.16 1q3h h VAL 546 Ca -0.65 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.20 1q3h h VAL 546 Cb 1.39 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1q3h h VAL 546 CO 0.68 0.18 -0.10 0.35 0.02 0.00 0.00 177.57 178.71 1q3h n THR 547 N -4.14 0.00 -1.34 2.57 -2.24 -1.26 -4.87 114.28 103.00 1q3h n THR 547 Ca -0.02 -0.28 -0.29 0.00 -2.27 0.00 0.00 64.05 61.19 1q3h n THR 547 Cb 0.26 0.75 0.13 0.00 -2.10 0.00 0.00 70.33 69.37 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 -2.15 2.19 0.57 3.22 1.02 -0.82 -5.07 118.68 117.65 1q3h s LEU 548 Ca 0.31 1.31 -0.08 0.00 0.02 0.00 0.00 54.13 55.69 1q3h s LEU 548 Cb 0.20 -3.72 -0.03 0.00 0.02 0.00 0.00 46.19 42.66 1q3h s LEU 548 CO 0.39 -2.54 0.93 -0.94 0.02 0.00 0.00 176.35 174.21 1q3h s SER 549 N -3.65 6.11 0.29 2.29 1.04 -1.26 -4.93 113.70 113.59 1q3h s SER 549 Ca 0.63 1.13 0.04 0.00 0.48 0.00 0.00 55.95 58.22 1q3h s SER 549 Cb -0.17 -2.26 0.66 0.00 0.10 0.00 0.00 66.02 64.36 1q3h s SER 549 CO 0.56 -0.81 1.79 1.23 0.98 0.00 0.00 173.24 176.98 1q3h h GLY 550 N -0.12 1.69 1.50 7.32 0.00 -1.97 -1.71 103.07 109.78 1q3h h GLY 550 Ca -0.45 -0.36 -0.20 0.00 0.00 0.00 0.00 47.33 46.32 1q3h h GLY 550 CO 0.62 -0.01 -0.78 -1.33 0.00 0.00 0.00 176.54 175.04 1q3h h GLY 551 N 0.79 0.54 0.97 4.60 0.00 -1.96 -2.26 103.07 105.75 1q3h h GLY 551 Ca 0.54 -0.79 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1q3h h GLY 551 CO -0.35 0.70 0.24 1.46 0.00 0.00 0.00 176.54 178.58 1q3h h GLN 552 N 0.32 0.67 -0.31 4.80 4.20 -1.82 0.72 115.11 123.69 1q3h h GLN 552 Ca -0.04 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.50 1q3h h GLN 552 Cb 1.38 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 29.01 1q3h h GLN 552 CO 0.14 0.56 -0.10 0.00 -0.67 0.00 0.00 178.83 178.75 1q3h h ARG 553 N 0.62 0.53 -0.19 1.46 3.08 -1.29 -1.95 114.38 116.63 1q3h h ARG 553 Ca 0.16 -0.15 -0.20 0.00 0.07 0.00 0.00 59.98 59.87 1q3h h ARG 553 Cb 0.10 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1q3h h ARG 553 CO -0.02 0.63 -0.66 0.00 -1.07 0.00 0.00 179.97 178.84 1q3h h ALA 554 N 1.40 0.45 -0.63 0.04 0.00 -1.03 -2.42 119.26 117.07 1q3h h ALA 554 Ca 0.09 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 1q3h h ALA 554 Cb 0.48 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1q3h h ALA 554 CO 0.03 0.69 0.03 0.00 0.00 0.00 0.00 179.25 180.00 1q3h h ARG 555 N 0.54 1.10 -0.59 0.00 3.08 -0.68 0.11 114.38 117.94 1q3h h ARG 555 Ca -0.02 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.69 1q3h h ARG 555 Cb 1.27 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 1q3h h ARG 555 CO 0.14 1.05 0.36 0.82 -1.07 0.00 0.00 179.97 181.26 1q3h h ILE 556 N 1.01 1.18 0.00 2.04 2.04 -1.33 0.18 117.51 122.62 1q3h h ILE 556 Ca 0.18 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1q3h h ILE 556 Cb 0.54 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1q3h h ILE 556 CO 0.03 0.18 -0.34 0.77 0.00 0.00 0.00 178.15 178.79 1q3h h SER 557 N 0.80 0.00 -0.29 1.72 4.64 -1.21 -0.40 113.55 118.80 1q3h h SER 557 Ca 0.21 -0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 61.36 1q3h h SER 557 Cb -0.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1q3h h SER 557 CO -0.04 0.02 -0.31 0.25 -0.87 0.00 0.00 176.83 175.89 1q3h h LEU 558 N 0.00 0.78 -0.72 5.97 7.12 -0.54 -2.72 115.31 125.20 1q3h h LEU 558 Ca 0.00 -0.48 -0.02 0.00 0.13 0.00 0.00 57.88 57.52 1q3h h LEU 558 Cb 0.88 -0.22 -0.03 0.00 -0.53 0.00 0.00 40.66 40.76 1q3h h LEU 558 CO 0.00 1.09 0.38 0.00 -0.13 0.00 0.00 178.44 179.78 1q3h h ALA 559 N 0.71 0.93 -0.58 1.25 0.00 -0.31 -0.27 119.26 120.98 1q3h h ALA 559 Ca 0.04 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1q3h h ALA 559 Cb 0.88 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1q3h h ALA 559 CO 0.08 0.46 0.28 -0.09 0.00 0.00 0.00 179.25 179.97 1q3h h ARG 560 N 1.00 0.50 0.00 0.00 2.43 -1.07 0.48 114.38 117.72 1q3h h ARG 560 Ca 0.25 -0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 59.19 1q3h h ARG 560 Cb 0.07 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1q3h h ARG 560 CO -0.04 0.33 -0.94 0.00 -1.51 0.00 0.00 179.97 177.82 1q3h h ALA 561 N 1.34 0.45 0.10 2.80 0.00 -1.12 -3.04 119.26 119.79 1q3h h ALA 561 Ca 0.27 -0.85 -0.27 0.00 0.00 0.00 0.00 54.91 54.06 1q3h h ALA 561 Cb 0.23 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1q3h h ALA 561 CO -0.21 1.17 -1.17 0.28 0.00 0.00 0.00 179.25 179.32 1q3h h VAL 562 N 0.00 1.39 0.00 0.00 2.07 -0.88 -3.25 116.25 115.58 1q3h h VAL 562 Ca -0.01 -2.67 -0.07 0.00 0.82 0.00 0.00 66.70 64.77 1q3h h VAL 562 Cb 1.66 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 34.13 1q3h h VAL 562 CO 0.12 0.79 -0.34 0.22 0.02 0.00 0.00 177.57 178.39 1q3h h TYR 563 N 0.19 0.00 -3.30 1.57 3.20 -0.95 -3.43 116.97 114.25 1q3h h TYR 563 Ca -0.14 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 61.20 1q3h h TYR 563 Cb 1.85 0.00 0.05 0.00 1.54 0.00 0.00 36.73 40.17 1q3h h TYR 563 CO 0.08 0.34 0.77 0.21 -1.64 0.00 0.00 178.16 177.92 1q3h s LYS 564 N -4.14 4.27 -0.20 1.82 2.20 -1.15 -4.97 119.74 117.57 1q3h s LYS 564 Ca -0.02 2.29 -0.25 0.00 -0.36 0.00 0.00 55.97 57.63 1q3h s LYS 564 Cb 0.14 -3.12 -0.01 0.00 -1.51 0.00 0.00 37.83 33.33 1q3h s LYS 564 CO 0.70 -0.44 0.83 0.34 -0.36 0.00 0.00 175.35 176.43 1q3h s ASP 565 N 0.49 6.90 0.23 1.43 -1.08 -1.26 -4.99 116.67 118.38 1q3h s ASP 565 Ca 0.61 1.12 -0.17 0.00 -0.52 0.00 0.00 52.55 53.59 1q3h s ASP 565 Cb -0.42 -2.45 0.02 0.00 -1.46 0.00 0.00 42.92 38.61 1q3h s ASP 565 CO 0.41 -0.46 0.54 0.00 0.52 0.00 0.00 175.17 176.19 1q3h s ALA 566 N 2.48 -0.76 -0.05 3.66 0.00 -1.26 -4.97 121.76 120.86 1q3h s ALA 566 Ca 0.37 -0.45 0.13 0.00 0.00 0.00 0.00 51.96 52.01 1q3h s ALA 566 Cb -0.16 0.91 -0.23 0.00 0.00 0.00 0.00 23.12 23.65 1q3h s ALA 566 CO 0.10 -0.86 0.66 -0.25 0.00 0.00 0.00 175.76 175.41 1q3h n ASP 567 N -0.37 0.87 -3.81 0.00 8.00 -0.32 -4.72 116.55 116.19 1q3h n ASP 567 Ca -0.06 0.41 -0.20 0.00 0.71 0.00 0.00 54.79 55.65 1q3h n ASP 567 Cb 0.62 -0.05 -0.17 0.00 -0.02 0.00 0.00 41.12 41.50 1q3h n ASP 567 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1q3h s LEU 568 N -6.08 0.95 -0.23 0.64 2.96 -0.88 -3.37 118.68 112.66 1q3h s LEU 568 Ca -0.05 -0.06 -0.05 0.00 -0.22 0.00 0.00 54.13 53.75 1q3h s LEU 568 Cb 0.08 -0.34 -0.02 0.00 0.50 0.00 0.00 46.19 46.41 1q3h s LEU 568 CO 0.82 -0.13 0.01 -0.31 -1.32 0.00 0.00 176.35 175.42 1q3h s TYR 569 N 1.38 3.01 -0.32 5.38 1.51 0.22 0.19 117.35 128.72 1q3h s TYR 569 Ca -0.04 -0.73 -0.08 0.00 -1.01 0.00 0.00 57.07 55.21 1q3h s TYR 569 Cb -0.13 -2.16 0.02 0.00 -0.11 0.00 0.00 41.96 39.57 1q3h s TYR 569 CO -0.02 -0.47 0.12 -0.51 -1.11 0.00 0.00 175.55 173.56 1q3h s LEU 570 N 1.54 4.16 -0.41 -1.29 1.43 0.94 -0.04 118.68 125.01 1q3h s LEU 570 Ca 0.06 -0.83 -0.01 0.00 -1.03 0.00 0.00 54.13 52.32 1q3h s LEU 570 Cb -0.15 -1.92 0.11 0.00 0.03 0.00 0.00 46.19 44.26 1q3h s LEU 570 CO -0.00 -0.26 0.19 -0.76 0.23 0.00 0.00 176.35 175.74 1q3h s LEU 571 N 1.51 5.11 -0.69 1.79 1.02 0.11 -0.42 118.68 127.10 1q3h s LEU 571 Ca 0.02 -2.16 -0.21 0.00 0.02 0.00 0.00 54.13 51.81 1q3h s LEU 571 Cb -0.18 -1.78 0.09 0.00 0.02 0.00 0.00 46.19 44.34 1q3h s LEU 571 CO 0.04 -0.48 0.91 -0.62 0.02 0.00 0.00 176.35 176.22 1q3h s ASP 572 N 1.46 6.27 -1.35 2.29 -1.08 -0.18 -0.90 116.67 123.18 1q3h s ASP 572 Ca 0.10 -1.34 -0.08 0.00 -0.52 0.00 0.00 52.55 50.71 1q3h s ASP 572 Cb -0.22 -2.38 0.01 0.00 -1.46 0.00 0.00 42.92 38.88 1q3h s ASP 572 CO -0.05 -1.26 1.16 -1.20 0.52 0.00 0.00 175.17 174.33 1q3h n SER 573 N 7.02 -5.76 0.27 -0.34 7.64 -0.85 -3.34 113.62 118.27 1q3h n SER 573 Ca -0.00 -0.56 0.15 0.00 1.01 0.00 0.00 58.87 59.46 1q3h n SER 573 Cb 0.45 -5.00 0.78 0.00 -1.01 0.00 0.00 64.21 59.42 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 -2.59 0.00 -3.30 1.43 0.13 -1.81 -3.36 132.00 122.50 1q3h h PRO 574 Ca -0.57 0.00 -0.79 0.00 -0.87 0.00 0.00 66.00 63.77 1q3h h PRO 574 Cb 1.37 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.21 1q3h h PRO 574 CO 0.56 0.09 0.48 1.19 -0.23 0.00 0.00 178.00 180.09 1q3h n PHE 575 N -3.46 4.19 -2.31 1.56 3.72 -1.26 -4.71 117.46 115.19 1q3h n PHE 575 Ca -0.01 -3.53 0.03 0.00 -0.05 0.00 0.00 57.45 53.89 1q3h n PHE 575 Cb 0.24 -1.48 0.02 0.00 -0.94 0.00 0.00 39.48 37.31 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 2.16 0.93 3.75 1.37 0.00 -1.26 -4.82 105.19 107.32 1q3h n GLY 576 Ca 0.25 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.07 1.95 0.24 1.61 2.02 -1.26 -4.55 117.35 117.28 1q3h s TYR 577 Ca 0.23 -0.91 0.05 0.00 -0.37 0.00 0.00 57.07 56.07 1q3h s TYR 577 Cb 0.26 -1.65 0.25 0.00 -0.40 0.00 0.00 41.96 40.43 1q3h s TYR 577 CO -0.11 0.24 1.56 -0.07 -1.57 0.00 0.00 175.55 175.59 1q3h h LEU 578 N 1.39 0.23 -7.98 -1.29 3.38 -1.99 -3.39 115.31 105.66 1q3h h LEU 578 Ca -0.44 -0.14 -0.58 0.00 0.09 0.00 0.00 57.88 56.82 1q3h h LEU 578 Cb 1.30 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.91 1q3h h LEU 578 CO 0.75 0.79 1.72 1.51 0.09 0.00 0.00 178.44 183.30 1q3h s ASP 579 N -6.89 6.34 -0.05 -0.43 3.84 -1.26 -4.69 116.67 113.53 1q3h s ASP 579 Ca -0.04 -1.91 0.15 0.00 -0.00 0.00 0.00 52.55 50.75 1q3h s ASP 579 Cb 0.12 -2.58 -0.22 0.00 -1.38 0.00 0.00 42.92 38.87 1q3h s ASP 579 CO 0.79 -1.67 0.60 0.55 -0.00 0.00 0.00 175.17 175.44 1q3h n VAL 580 N 6.86 1.46 -0.16 2.11 3.14 -1.26 -2.58 118.33 127.89 1q3h n VAL 580 Ca 0.43 -0.78 -0.10 0.00 -2.96 0.00 0.00 64.34 60.94 1q3h n VAL 580 Cb 0.48 -0.86 -0.00 0.00 -1.06 0.00 0.00 33.84 32.39 1q3h n VAL 580 CO 0.00 0.00 0.00 -0.26 -6.46 0.00 0.00 176.83 170.11 1q3h h PHE 581 N 0.00 0.83 -0.45 1.45 -1.00 -1.96 -2.07 116.94 113.75 1q3h h PHE 581 Ca -0.30 -0.12 0.04 0.00 2.81 0.00 0.00 57.97 60.40 1q3h h PHE 581 Cb 1.94 -0.23 -0.04 0.00 3.61 0.00 0.00 35.95 41.24 1q3h h PHE 581 CO 0.00 0.78 0.22 1.15 -1.61 0.00 0.00 178.31 178.85 1q3h h THR 582 N 0.64 0.95 -0.60 -1.55 2.02 -1.95 -1.85 112.91 110.58 1q3h h THR 582 Ca 0.14 -0.15 0.02 0.00 0.77 0.00 0.00 66.41 67.19 1q3h h THR 582 Cb 0.41 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1q3h h THR 582 CO 0.01 0.08 0.40 -0.33 0.37 0.00 0.00 175.52 176.05 1q3h h GLU 583 N 0.43 0.72 -0.44 6.66 5.08 -1.23 0.21 114.58 126.02 1q3h h GLU 583 Ca 0.20 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1q3h h GLU 583 Cb 0.11 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1q3h h GLU 583 CO -0.14 0.48 -0.00 0.93 -1.00 0.00 0.00 179.01 179.27 1q3h h GLU 584 N 0.74 0.77 -0.18 2.33 5.08 -1.05 0.04 114.58 122.32 1q3h h GLU 584 Ca 0.23 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1q3h h GLU 584 Cb 0.02 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1q3h h GLU 584 CO -0.06 0.84 0.10 1.96 -1.00 0.00 0.00 179.01 180.85 1q3h h GLN 585 N 0.62 0.20 -0.84 2.33 4.20 -0.34 -2.11 115.11 119.18 1q3h h GLN 585 Ca 0.12 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1q3h h GLN 585 Cb 0.49 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 1q3h h GLN 585 CO 0.02 0.13 0.47 0.28 -0.67 0.00 0.00 178.83 179.07 1q3h h VAL 586 N 0.21 1.24 -0.31 -0.54 2.07 -0.44 0.22 116.25 118.70 1q3h h VAL 586 Ca 0.07 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1q3h h VAL 586 Cb -0.00 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 1q3h h VAL 586 CO -0.03 0.26 0.14 0.15 0.02 0.00 0.00 177.57 178.11 1q3h h PHE 587 N 1.16 0.45 0.36 1.57 3.04 -0.80 -0.73 116.94 121.99 1q3h h PHE 587 Ca 0.30 -0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.20 1q3h h PHE 587 Cb -0.00 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.37 1q3h h PHE 587 CO 0.01 0.42 -0.17 1.49 -2.02 0.00 0.00 178.31 178.03 1q3h h GLU 588 N 0.36 -0.46 -0.03 1.11 4.81 -0.96 -1.54 114.58 117.86 1q3h h GLU 588 Ca 0.10 0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 59.12 1q3h h GLU 588 Cb 0.14 0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.64 1q3h h GLU 588 CO -0.01 -0.20 -0.95 0.77 -0.73 0.00 0.00 179.01 177.89 1q3h h SER 589 N -0.67 0.78 0.00 1.04 0.02 -0.99 -2.13 113.55 111.61 1q3h h SER 589 Ca -0.05 -0.60 -0.10 0.00 -0.84 0.00 0.00 61.79 60.21 1q3h h SER 589 Cb 0.47 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1q3h h SER 589 CO 0.08 1.40 -0.98 0.00 -1.14 0.00 0.00 176.83 176.19 1q3h h VAL 591 N -1.00 1.51 0.14 0.00 2.07 -1.47 -0.50 116.25 117.00 1q3h h VAL 591 Ca -0.14 -3.07 -0.33 0.00 0.82 0.00 0.00 66.70 63.97 1q3h h VAL 591 Cb 0.89 2.93 -0.00 0.00 -1.52 0.00 0.00 31.29 33.59 1q3h h VAL 591 CO -0.09 0.90 -1.72 0.00 0.02 0.00 0.00 177.57 176.68 1q3h n LYS 593 N -3.69 0.15 -0.28 0.00 5.02 -0.81 -3.56 118.16 114.99 1q3h n LYS 593 Ca -0.28 0.15 0.07 0.00 -2.02 0.00 0.00 58.31 56.24 1q3h n LYS 593 Cb 1.00 -0.86 0.22 0.00 -0.02 0.00 0.00 35.03 35.37 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 -0.30 0.39 -3.49 -0.35 5.85 -1.24 -1.10 115.31 115.07 1q3h h LEU 594 Ca 0.00 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1q3h h LEU 594 Cb 0.25 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1q3h h LEU 594 CO 0.00 0.13 0.05 0.23 -0.34 0.00 0.00 178.44 178.51 1q3h n MET 595 N -4.95 4.55 -0.30 1.25 2.81 -0.20 -4.62 117.12 115.66 1q3h n MET 595 Ca 0.17 -3.01 0.22 0.00 -1.81 0.00 0.00 57.70 53.27 1q3h n MET 595 Cb 0.47 -2.23 0.51 0.00 -0.71 0.00 0.00 33.22 31.26 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 3.71 2.25 -0.52 3.04 0.00 -1.24 -1.01 119.26 125.48 1q3h h ALA 596 Ca 0.05 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1q3h h ALA 596 Cb 1.99 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1q3h h ALA 596 CO 0.52 -0.61 0.00 0.09 0.00 0.00 0.00 179.25 179.25 1q3h n ASN 597 N -4.57 3.85 -4.81 0.00 3.02 -1.26 -4.77 115.26 106.72 1q3h n ASN 597 Ca 0.23 -2.25 -0.36 0.00 -0.03 0.00 0.00 54.58 52.17 1q3h n ASN 597 Cb 0.82 -0.44 -0.07 0.00 -0.61 0.00 0.00 39.78 39.49 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 -1.46 3.82 -0.07 3.52 -0.14 -0.38 -4.08 119.74 120.94 1q3h s LYS 598 Ca 0.40 -0.15 -0.30 0.00 -1.36 0.00 0.00 55.97 54.56 1q3h s LYS 598 Cb 0.24 -3.30 -0.04 0.00 -1.68 0.00 0.00 37.83 33.05 1q3h s LYS 598 CO 0.22 0.54 1.39 0.99 -0.76 0.00 0.00 175.35 177.73 1q3h s THR 599 N -0.35 3.92 -0.03 2.17 2.01 -1.25 -4.35 115.64 117.75 1q3h s THR 599 Ca 0.12 1.21 -0.06 0.00 0.31 0.00 0.00 61.69 63.27 1q3h s THR 599 Cb -0.12 -3.78 0.01 0.00 0.01 0.00 0.00 72.50 68.63 1q3h s THR 599 CO 0.01 -0.06 0.14 0.00 -0.69 0.00 0.00 174.62 174.03 1q3h s ARG 600 N 3.05 0.30 -0.17 4.92 1.70 -0.78 -0.61 118.95 127.37 1q3h s ARG 600 Ca 0.62 -0.05 0.01 0.00 -0.47 0.00 0.00 55.73 55.84 1q3h s ARG 600 Cb -0.28 0.13 0.02 0.00 -0.57 0.00 0.00 34.95 34.26 1q3h s ARG 600 CO 0.23 -0.06 -0.15 0.42 -1.08 0.00 0.00 175.30 174.66 1q3h s ILE 601 N -0.53 1.74 -0.23 4.99 1.01 0.95 -1.06 121.20 128.07 1q3h s ILE 601 Ca -0.06 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 59.77 1q3h s ILE 601 Cb -0.04 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.80 1q3h s ILE 601 CO 0.01 0.44 -0.05 -0.22 0.00 0.00 0.00 174.94 175.12 1q3h s LEU 602 N 1.41 3.00 0.01 2.97 2.96 -0.00 0.05 118.68 129.08 1q3h s LEU 602 Ca 0.04 -0.57 -0.25 0.00 -0.22 0.00 0.00 54.13 53.14 1q3h s LEU 602 Cb -0.13 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 1q3h s LEU 602 CO -0.11 -0.06 0.75 -0.69 -1.32 0.00 0.00 176.35 174.92 1q3h s VAL 603 N 1.43 4.83 0.14 1.68 1.01 -0.08 -0.20 120.40 129.21 1q3h s VAL 603 Ca 0.04 1.59 -0.19 0.00 0.00 0.00 0.00 61.98 63.42 1q3h s VAL 603 Cb -0.15 -4.10 0.05 0.00 0.00 0.00 0.00 36.38 32.18 1q3h s VAL 603 CO -0.04 0.33 0.49 0.28 0.00 0.00 0.00 175.10 176.16 1q3h s THR 604 N 0.20 0.04 -0.02 3.92 -1.32 0.21 -2.00 115.64 116.68 1q3h s THR 604 Ca 0.39 -0.35 0.03 0.00 -1.21 0.00 0.00 61.69 60.55 1q3h s THR 604 Cb -0.20 -1.11 0.04 0.00 -1.51 0.00 0.00 72.50 69.72 1q3h s THR 604 CO 0.22 -0.18 0.99 -1.54 -2.21 0.00 0.00 174.62 171.89 1q3h n SER 605 N -0.29 1.89 -4.66 8.08 3.41 -1.26 -4.27 113.62 116.52 1q3h n SER 605 Ca -0.16 -2.09 -0.35 0.00 -0.26 0.00 0.00 58.87 56.01 1q3h n SER 605 Cb 0.64 -0.06 -0.09 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.19 4.00 0.32 4.33 1.02 -1.26 -4.84 119.74 122.12 1q3h s LYS 606 Ca 0.05 -0.31 0.11 0.00 0.02 0.00 0.00 55.97 55.83 1q3h s LYS 606 Cb 0.04 -3.25 0.53 0.00 -0.52 0.00 0.00 37.83 34.63 1q3h s LYS 606 CO 0.00 0.30 1.72 0.52 -0.92 0.00 0.00 175.35 176.97 1q3h h MET 607 N 6.62 0.02 -0.67 1.68 2.86 -1.95 -2.56 114.93 120.94 1q3h h MET 607 Ca -0.38 -0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.36 1q3h h MET 607 Cb 1.16 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.78 1q3h h MET 607 CO 0.71 0.50 0.45 1.49 1.06 0.00 0.00 176.91 181.12 1q3h h GLU 608 N 0.02 0.43 0.00 1.72 4.57 -1.99 -0.37 114.58 118.96 1q3h h GLU 608 Ca -0.00 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.06 1q3h h GLU 608 Cb 0.87 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.35 1q3h h GLU 608 CO 0.06 0.28 -0.45 0.45 -1.18 0.00 0.00 179.01 178.18 1q3h h HIS 609 N 0.44 0.00 -0.01 0.92 3.86 -1.88 -1.52 115.15 116.96 1q3h h HIS 609 Ca 0.32 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 59.27 1q3h h HIS 609 Cb 0.64 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.13 1q3h h HIS 609 CO -0.00 0.45 -1.00 -0.07 0.86 0.00 0.00 177.93 178.16 1q3h h LEU 610 N 0.00 0.84 -1.34 2.43 4.07 -1.21 -1.83 115.31 118.28 1q3h h LEU 610 Ca -0.00 -0.66 0.01 0.00 0.08 0.00 0.00 57.88 57.30 1q3h h LEU 610 Cb 1.00 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 42.45 1q3h h LEU 610 CO 0.06 1.47 0.45 -0.09 -1.08 0.00 0.00 178.44 179.25 1q3h h ARG 611 N 0.38 0.88 0.00 1.13 2.43 -0.82 -2.69 114.38 115.69 1q3h h ARG 611 Ca -0.11 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1q3h h ARG 611 Cb 1.65 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 31.00 1q3h h ARG 611 CO 0.19 0.58 -0.72 1.63 -1.51 0.00 0.00 179.97 180.15 1q3h n LYS 612 N -4.44 0.02 -1.95 0.20 4.76 -0.60 -4.94 118.16 111.22 1q3h n LYS 612 Ca 0.07 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.18 1q3h n LYS 612 Cb 0.05 -1.51 0.03 0.00 -1.84 0.00 0.00 35.03 31.76 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 -3.02 2.62 0.03 7.82 0.00 -0.69 -4.97 121.76 123.56 1q3h s ALA 613 Ca 0.09 0.50 -0.16 0.00 0.00 0.00 0.00 51.96 52.39 1q3h s ALA 613 Cb 0.17 -3.28 -0.29 0.00 0.00 0.00 0.00 23.12 19.72 1q3h s ALA 613 CO 0.77 -1.00 1.08 -0.44 0.00 0.00 0.00 175.76 176.16 1q3h h ASP 614 N 0.35 0.79 -4.73 0.00 3.32 -1.44 -3.44 116.42 111.26 1q3h h ASP 614 Ca -0.47 -0.83 -0.25 0.00 0.02 0.00 0.00 57.03 55.50 1q3h h ASP 614 Cb 1.24 -0.25 -0.19 0.00 0.22 0.00 0.00 39.33 40.35 1q3h h ASP 614 CO 0.56 1.53 -0.72 -0.54 -1.72 0.00 0.00 179.24 178.35 1q3h s LYS 615 N -2.96 0.62 -0.06 3.56 -0.14 -0.96 -4.63 119.74 115.18 1q3h s LYS 615 Ca -0.11 -0.95 0.03 0.00 -1.36 0.00 0.00 55.97 53.59 1q3h s LYS 615 Cb 0.05 -0.25 0.01 0.00 -1.68 0.00 0.00 37.83 35.95 1q3h s LYS 615 CO 0.91 0.02 -0.15 0.42 -0.76 0.00 0.00 175.35 175.79 1q3h s ILE 616 N -2.13 1.35 -0.14 2.17 1.01 0.16 -0.79 121.20 122.82 1q3h s ILE 616 Ca -0.03 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.00 1q3h s ILE 616 Cb -0.05 -1.19 -0.00 0.00 0.01 0.00 0.00 42.46 41.23 1q3h s ILE 616 CO -0.01 0.40 -0.16 -0.22 0.00 0.00 0.00 174.94 174.94 1q3h s LEU 617 N 0.38 2.48 -0.21 2.97 0.20 -0.12 -1.62 118.68 122.75 1q3h s LEU 617 Ca -0.11 -0.45 -0.01 0.00 0.69 0.00 0.00 54.13 54.25 1q3h s LEU 617 Cb -0.14 -1.55 0.02 0.00 -0.43 0.00 0.00 46.19 44.08 1q3h s LEU 617 CO 0.04 0.12 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.47 1q3h s ILE 618 N 0.63 2.63 -0.01 6.68 1.01 0.31 -1.08 121.20 131.37 1q3h s ILE 618 Ca -0.09 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.61 1q3h s ILE 618 Cb -0.16 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 1q3h s ILE 618 CO 0.03 0.40 0.29 -0.76 0.00 0.00 0.00 174.94 174.89 1q3h s LEU 619 N 1.34 4.40 -0.13 2.97 1.02 0.09 0.29 118.68 128.65 1q3h s LEU 619 Ca 0.03 0.66 -0.07 0.00 0.02 0.00 0.00 54.13 54.78 1q3h s LEU 619 Cb -0.15 -2.56 0.05 0.00 0.02 0.00 0.00 46.19 43.55 1q3h s LEU 619 CO -0.08 0.29 0.32 -2.28 0.02 0.00 0.00 176.35 174.62 1q3h s HIS 620 N -1.20 -0.46 -1.31 0.29 2.46 -0.13 -2.52 115.29 112.41 1q3h s HIS 620 Ca 0.25 1.02 -0.12 0.00 0.47 0.00 0.00 55.06 56.67 1q3h s HIS 620 Cb -0.14 0.14 0.10 0.00 -0.13 0.00 0.00 32.58 32.55 1q3h s HIS 620 CO 0.13 -0.29 0.51 0.94 -2.47 0.00 0.00 174.74 173.57 1q3h n GLN 621 N 4.30 -3.00 -0.94 2.88 -0.06 -1.26 -0.74 117.38 118.56 1q3h n GLN 621 Ca -0.24 0.37 0.00 0.00 -2.00 0.00 0.00 57.00 55.14 1q3h n GLN 621 Cb 0.54 -5.05 0.00 0.00 -4.06 0.00 0.00 30.24 21.66 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 -1.14 0.57 3.45 1.69 0.00 -0.45 -4.97 105.19 104.35 1q3h n GLY 622 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.10 3.56 -0.56 1.61 0.01 0.08 -1.06 113.70 115.23 1q3h s SER 623 Ca 0.00 -0.82 -0.28 0.00 1.31 0.00 0.00 55.95 56.16 1q3h s SER 623 Cb 0.00 -0.32 0.01 0.00 0.21 0.00 0.00 66.02 65.91 1q3h s SER 623 CO 0.00 0.12 1.50 -0.55 0.41 0.00 0.00 173.24 174.72 1q3h s SER 624 N -2.68 5.98 0.18 2.44 0.15 -1.26 -0.96 113.70 117.55 1q3h s SER 624 Ca 0.21 0.32 -0.08 0.00 0.70 0.00 0.00 55.95 57.11 1q3h s SER 624 Cb -0.08 -2.54 0.07 0.00 -1.71 0.00 0.00 66.02 61.76 1q3h s SER 624 CO 0.11 -1.82 1.58 0.22 1.20 0.00 0.00 173.24 174.52 1q3h h TYR 625 N 11.74 1.05 -2.21 3.44 5.03 -0.48 -3.46 116.97 132.08 1q3h h TYR 625 Ca -0.27 -0.25 -0.06 0.00 2.58 0.00 0.00 58.73 60.72 1q3h h TYR 625 Cb 1.11 -0.25 -0.22 0.00 1.55 0.00 0.00 36.73 38.92 1q3h h TYR 625 CO 1.04 1.04 0.02 0.12 -1.32 0.00 0.00 178.16 179.06 1q3h s PHE 626 N -4.65 -0.69 -0.04 -3.82 2.19 -1.07 -4.99 117.98 104.90 1q3h s PHE 626 Ca -0.11 1.69 -0.00 0.00 0.33 0.00 0.00 56.93 58.84 1q3h s PHE 626 Cb 0.13 0.24 0.03 0.00 -1.31 0.00 0.00 43.02 42.10 1q3h s PHE 626 CO 0.86 -0.33 0.00 -0.47 1.83 0.00 0.00 175.22 177.11 1q3h s TYR 627 N 0.34 0.45 -3.97 10.12 5.04 -1.26 -0.53 117.35 127.53 1q3h s TYR 627 Ca -0.00 -0.05 0.00 0.00 -2.44 0.00 0.00 57.07 54.58 1q3h s TYR 627 Cb -0.04 -0.56 0.00 0.00 0.35 0.00 0.00 41.96 41.71 1q3h s TYR 627 CO 0.01 -0.20 0.00 0.41 -1.34 0.00 0.00 175.55 174.43 1q3h n GLY 628 N 4.52 -0.53 3.97 8.97 0.00 -0.64 -4.99 105.19 116.49 1q3h n GLY 628 Ca -0.18 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.55 3.68 0.42 2.61 -4.23 -1.26 0.38 115.64 113.70 1q3h s THR 629 Ca 0.00 -0.70 0.12 0.00 -1.18 0.00 0.00 61.69 59.93 1q3h s THR 629 Cb 0.00 -3.33 0.18 0.00 1.34 0.00 0.00 72.50 70.69 1q3h s THR 629 CO 0.00 -0.20 1.96 0.15 -0.54 0.00 0.00 174.62 176.00 1q3h h PHE 630 N 0.49 0.12 -0.31 3.99 3.57 -1.84 -0.27 116.94 122.69 1q3h h PHE 630 Ca -0.45 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 60.97 1q3h h PHE 630 Cb 1.26 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 1q3h h PHE 630 CO 0.42 0.26 -0.10 1.03 -2.23 0.00 0.00 178.31 177.70 1q3h h SER 631 N 0.11 0.63 0.25 0.41 0.87 -1.95 -1.85 113.55 112.02 1q3h h SER 631 Ca 0.02 -0.38 -0.04 0.00 -1.23 0.00 0.00 61.79 60.16 1q3h h SER 631 Cb 0.33 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1q3h h SER 631 CO 0.02 0.86 -0.20 -0.33 -0.53 0.00 0.00 176.83 176.66 1q3h h GLU 632 N 0.39 0.00 0.02 2.24 5.08 -1.75 -1.90 114.58 118.66 1q3h h GLU 632 Ca 0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1q3h h GLU 632 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1q3h h GLU 632 CO 0.04 0.20 -0.01 1.25 -1.00 0.00 0.00 179.01 179.48 1q3h h LEU 633 N 0.00 -0.02 -1.10 1.33 5.85 -0.75 0.93 115.31 121.55 1q3h h LEU 633 Ca -0.00 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.44 1q3h h LEU 633 Cb 0.37 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 1q3h h LEU 633 CO 0.03 0.30 0.61 1.56 -0.34 0.00 0.00 178.44 180.60 1q3h h GLN 634 N -0.35 1.14 0.06 1.25 4.20 -1.01 0.52 115.11 120.92 1q3h h GLN 634 Ca -0.00 -0.07 -0.33 0.00 0.06 0.00 0.00 58.65 58.31 1q3h h GLN 634 Cb 0.33 -0.26 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 1q3h h GLN 634 CO 0.00 0.76 -1.85 -1.13 -0.67 0.00 0.00 178.83 175.94 1q3h n SER 635 N -4.44 1.43 0.02 1.46 3.41 -0.74 -3.87 113.62 110.90 1q3h n SER 635 Ca 0.12 0.32 0.11 0.00 -0.26 0.00 0.00 58.87 59.16 1q3h n SER 635 Cb 0.09 -0.42 0.01 0.00 -0.26 0.00 0.00 64.21 63.63 1q3h n SER 635 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1q3h n LEU 636 N -3.24 0.63 -3.19 1.04 4.77 0.32 -4.38 117.00 112.94 1q3h n LEU 636 Ca -0.24 -0.09 -0.23 0.00 -0.03 0.00 0.00 56.01 55.43 1q3h n LEU 636 Cb 1.05 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 42.00 1q3h n LEU 636 CO 0.44 0.08 -0.15 0.54 -1.33 0.00 0.00 177.39 176.96 1q3h n ARG 637 N -1.88 1.45 0.25 3.23 5.12 0.17 -4.97 116.66 120.02 1q3h n ARG 637 Ca 0.02 -3.74 0.12 0.00 -1.93 0.00 0.00 57.85 52.32 1q3h n ARG 637 Cb 0.42 -1.68 0.62 0.00 -1.16 0.00 0.00 32.46 30.66 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 3.57 0.00 0.07 5.56 0.13 -1.72 -1.44 132.00 138.18 1q3h h PRO 638 Ca 0.11 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.12 1q3h h PRO 638 Cb 0.82 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.96 1q3h h PRO 638 CO 0.59 0.17 -0.50 -0.44 -0.23 0.00 0.00 178.00 177.58 1q3h h ASP 639 N 0.00 0.31 -0.05 1.44 3.45 -1.93 -0.68 116.42 118.96 1q3h h ASP 639 Ca -0.00 -0.93 0.02 0.00 0.43 0.00 0.00 57.03 56.54 1q3h h ASP 639 Cb 0.50 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.16 1q3h h ASP 639 CO 0.02 1.22 -0.05 0.15 -1.57 0.00 0.00 179.24 179.01 1q3h h PHE 640 N -0.55 -0.13 -0.60 4.55 3.04 -1.91 -1.83 116.94 119.51 1q3h h PHE 640 Ca -0.08 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.85 1q3h h PHE 640 Cb 1.36 0.07 -0.03 0.00 2.56 0.00 0.00 35.95 39.91 1q3h h PHE 640 CO 0.22 -0.09 0.28 0.77 -2.02 0.00 0.00 178.31 177.47 1q3h h SER 641 N -0.07 0.80 -0.55 0.41 0.02 -1.31 -1.03 113.55 111.81 1q3h h SER 641 Ca 0.04 -0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 60.76 1q3h h SER 641 Cb 0.13 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1q3h h SER 641 CO -0.10 0.72 -0.01 -1.28 -1.14 0.00 0.00 176.83 175.02 1q3h h SER 642 N 0.82 0.96 0.35 3.07 0.87 -1.11 -1.08 113.55 117.43 1q3h h SER 642 Ca 0.20 -0.31 -0.02 0.00 -1.23 0.00 0.00 61.79 60.44 1q3h h SER 642 Cb 0.14 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1q3h h SER 642 CO -0.02 1.04 -0.17 0.50 -0.53 0.00 0.00 176.83 177.64 1q3h h LYS 643 N 0.86 -0.46 -0.16 2.24 1.63 -0.93 -1.81 116.57 117.94 1q3h h LYS 643 Ca 0.15 0.03 -0.13 0.00 -0.85 0.00 0.00 60.65 59.86 1q3h h LYS 643 Cb 0.55 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 1q3h h LYS 643 CO 0.03 -0.30 -0.41 -0.07 -3.45 0.00 0.00 179.45 175.25 1q3h h LEU 644 N -0.47 0.64 0.00 5.20 -0.00 -1.10 -2.01 115.31 117.56 1q3h h LEU 644 Ca -0.05 -0.58 0.00 0.00 -0.00 0.00 0.00 57.88 57.26 1q3h h LEU 644 Cb 0.37 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.84 1q3h h LEU 644 CO 0.07 1.10 0.00 0.23 -0.00 0.00 0.00 178.44 179.84 1q3h n MET 645 N -4.27 0.58 0.00 1.13 2.81 -0.42 -3.29 117.12 113.66 1q3h n MET 645 Ca -0.07 0.03 0.14 0.00 -1.81 0.00 0.00 57.70 56.00 1q3h n MET 645 Cb 0.54 -1.50 0.68 0.00 -0.71 0.00 0.00 33.22 32.23 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 0.51 -1.41 3.93 3.03 0.00 -0.68 -4.73 105.19 105.84 1q3h n GLY 646 Ca 0.15 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.82 3.50 -0.11 1.61 1.51 -1.21 -5.04 117.35 114.80 1q3h s TYR 647 Ca 0.20 0.44 -0.20 0.00 -1.01 0.00 0.00 57.07 56.50 1q3h s TYR 647 Cb 0.20 -1.97 -0.27 0.00 -0.11 0.00 0.00 41.96 39.81 1q3h s TYR 647 CO 0.50 0.11 0.64 -0.44 -1.11 0.00 0.00 175.55 175.25 1q3h h ASP 648 N 0.94 0.29 -1.26 2.29 3.32 -1.91 -3.41 116.42 116.68 1q3h h ASP 648 Ca -0.49 -0.86 -0.45 0.00 0.02 0.00 0.00 57.03 55.25 1q3h h ASP 648 Cb 1.21 -0.10 -0.41 0.00 0.22 0.00 0.00 39.33 40.26 1q3h h ASP 648 CO 0.63 1.44 -1.02 0.35 -1.72 0.00 0.00 179.24 178.92 1q3h n THR 649 N -4.16 1.49 -0.30 0.35 -2.24 -1.26 -4.91 114.28 103.25 1q3h n THR 649 Ca -0.20 -3.85 0.10 0.00 -2.27 0.00 0.00 64.05 57.82 1q3h n THR 649 Cb 0.78 -0.11 0.33 0.00 -2.10 0.00 0.00 70.33 69.23 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 2.85 0.94 0.00 4.78 3.57 -1.90 -1.54 116.94 125.65 1q3h h PHE 650 Ca 0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1q3h h PHE 650 Cb 1.06 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.50 1q3h h PHE 650 CO 0.62 0.35 0.00 -0.25 -2.23 0.00 0.00 178.31 176.80 1q3h n ASP 651 N -4.59 0.53 -0.92 0.41 8.00 -1.26 -2.04 116.55 116.68 1q3h n ASP 651 Ca 0.18 0.64 0.11 0.00 0.71 0.00 0.00 54.79 56.44 1q3h n ASP 651 Cb 0.43 -0.75 0.11 0.00 -0.02 0.00 0.00 41.12 40.88 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 -2.10 2.16 -0.64 -1.24 6.02 -0.58 -4.91 117.38 116.10 1q3h n GLN 652 Ca 0.02 -1.89 -0.30 0.00 -0.01 0.00 0.00 57.00 54.82 1q3h n GLN 652 Cb 0.19 -1.44 0.20 0.00 1.02 0.00 0.00 30.24 30.21 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 -1.83 1.52 0.76 1.08 2.99 -0.87 -5.00 117.98 116.62 1q3h s PHE 653 Ca 0.27 1.59 -0.13 0.00 0.00 0.00 0.00 56.93 58.66 1q3h s PHE 653 Cb 0.19 -3.25 0.05 0.00 0.00 0.00 0.00 43.02 40.01 1q3h s PHE 653 CO 0.28 -3.19 1.15 0.95 -0.00 0.00 0.00 175.22 174.42 1q3h s THR 654 N -2.58 2.67 0.21 0.64 -4.23 -1.26 -4.81 115.64 106.28 1q3h s THR 654 Ca 0.67 0.28 -0.09 0.00 -1.18 0.00 0.00 61.69 61.38 1q3h s THR 654 Cb -0.24 -2.71 0.15 0.00 1.34 0.00 0.00 72.50 71.04 1q3h s THR 654 CO 0.60 -0.22 1.81 -0.08 -0.54 0.00 0.00 174.62 176.19 1q3h h GLU 655 N -0.68 0.68 0.03 3.99 4.22 -1.91 0.12 114.58 121.03 1q3h h GLU 655 Ca -0.46 -0.04 0.01 0.00 0.08 0.00 0.00 59.36 58.95 1q3h h GLU 655 Cb 1.27 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1q3h h GLU 655 CO 0.49 0.45 -0.05 1.49 -2.18 0.00 0.00 179.01 179.21 1q3h h GLU 656 N 0.70 -0.10 -0.86 1.92 4.81 -1.91 0.67 114.58 119.79 1q3h h GLU 656 Ca 0.31 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.56 1q3h h GLU 656 Cb 0.20 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.56 1q3h h GLU 656 CO -0.19 -0.07 0.57 -0.09 -0.73 0.00 0.00 179.01 178.50 1q3h h ARG 657 N -0.11 1.10 -0.13 1.92 9.65 -1.85 0.98 114.38 125.95 1q3h h ARG 657 Ca 0.01 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.81 1q3h h ARG 657 Cb 0.12 -0.25 -0.00 0.00 -1.39 0.00 0.00 29.97 28.45 1q3h h ARG 657 CO -0.04 0.73 0.00 0.00 2.80 0.00 0.00 179.97 183.47 1q3h h ARG 658 N 1.14 0.22 -0.79 0.20 3.08 -0.56 -0.82 114.38 116.85 1q3h h ARG 658 Ca 0.33 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 1q3h h ARG 658 Cb -0.09 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 1q3h h ARG 658 CO -0.09 0.45 0.45 0.77 -1.07 0.00 0.00 179.97 180.49 1q3h h SER 659 N -0.04 0.97 -0.29 7.04 0.02 -0.70 -1.09 113.55 119.46 1q3h h SER 659 Ca 0.04 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1q3h h SER 659 Cb 0.35 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1q3h h SER 659 CO 0.01 0.77 0.11 -1.28 -1.14 0.00 0.00 176.83 175.30 1q3h h SER 660 N 1.10 0.41 -0.33 3.07 0.87 -0.60 0.30 113.55 118.37 1q3h h SER 660 Ca 0.28 -0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1q3h h SER 660 Cb -0.00 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 1q3h h SER 660 CO -0.05 0.47 0.19 0.40 -0.53 0.00 0.00 176.83 177.31 1q3h h ILE 661 N 0.32 1.13 -1.00 2.23 2.04 -0.89 -0.54 117.51 120.81 1q3h h ILE 661 Ca 0.10 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.69 1q3h h ILE 661 Cb 0.19 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 1q3h h ILE 661 CO -0.01 0.13 0.65 -0.07 0.00 0.00 0.00 178.15 178.85 1q3h h LEU 662 N 0.42 1.05 -0.18 1.44 3.38 -1.07 -0.53 115.31 119.82 1q3h h LEU 662 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1q3h h LEU 662 Cb 0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1q3h h LEU 662 CO -0.02 0.69 0.04 0.74 0.09 0.00 0.00 178.44 179.98 1q3h h THR 663 N 1.20 1.21 -0.46 0.22 2.02 -0.38 -0.61 112.91 116.12 1q3h h THR 663 Ca 0.42 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 1q3h h THR 663 Cb 0.10 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1q3h h THR 663 CO -0.15 0.21 0.21 -0.33 0.37 0.00 0.00 175.52 175.83 1q3h h GLU 664 N 0.10 0.67 -0.71 6.66 5.08 -0.89 -0.55 114.58 124.95 1q3h h GLU 664 Ca 0.06 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1q3h h GLU 664 Cb 0.28 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1q3h h GLU 664 CO 0.00 0.58 0.25 1.15 -1.00 0.00 0.00 179.01 179.99 1q3h h THR 665 N 0.60 1.25 -0.05 1.13 2.02 -0.99 -0.63 112.91 116.24 1q3h h THR 665 Ca 0.16 -0.83 -0.18 0.00 0.77 0.00 0.00 66.41 66.33 1q3h h THR 665 Cb 0.13 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1q3h h THR 665 CO -0.02 0.33 -0.75 -0.07 0.37 0.00 0.00 175.52 175.38 1q3h h LEU 666 N 1.03 0.41 -0.64 2.58 4.07 -0.95 -2.34 115.31 119.48 1q3h h LEU 666 Ca 0.23 -0.28 -0.06 0.00 0.08 0.00 0.00 57.88 57.85 1q3h h LEU 666 Cb 0.25 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.84 1q3h h LEU 666 CO -0.01 1.02 0.15 0.03 -1.08 0.00 0.00 178.44 178.55 1q3h h ARG 667 N 0.22 1.03 -0.44 1.13 3.08 -0.71 -3.15 114.38 115.54 1q3h h ARG 667 Ca -0.03 -0.25 -0.11 0.00 0.07 0.00 0.00 59.98 59.66 1q3h h ARG 667 Cb 1.33 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.23 1q3h h ARG 667 CO 0.12 0.93 -0.17 -0.09 -1.07 0.00 0.00 179.97 179.69 1q3h h ARG 668 N 0.95 0.83 -6.14 0.04 2.43 -0.96 -3.46 114.38 108.08 1q3h h ARG 668 Ca 0.20 -0.31 -0.51 0.00 -0.81 0.00 0.00 59.98 58.55 1q3h h ARG 668 Cb 0.36 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 1q3h h ARG 668 CO 0.00 0.94 -0.42 -0.06 -1.51 0.00 0.00 179.97 178.92 1q3h s PHE 669 N -4.71 2.73 0.00 2.20 0.08 -0.89 -5.11 117.98 112.29 1q3h s PHE 669 Ca -0.10 -0.46 0.00 0.00 0.12 0.00 0.00 56.93 56.49 1q3h s PHE 669 Cb 0.13 -2.03 0.00 0.00 -0.57 0.00 0.00 43.02 40.55 1q3h s PHE 669 CO 0.84 0.01 0.13 -1.13 -0.10 0.00 0.00 175.22 174.97