#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q3h s THR 389 N 0.00 0.92 0.10 6.66 -4.23 -1.26 -4.17 115.64 113.67 1q3h s THR 389 Ca 0.00 -2.02 0.08 0.00 -1.18 0.00 0.00 61.69 58.57 1q3h s THR 389 Cb 0.00 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 1q3h s THR 389 CO 0.00 -0.31 -0.21 0.28 -0.54 0.00 0.00 174.62 173.84 1q3h s THR 390 N -3.50 1.71 0.76 3.99 -1.32 -1.10 -4.98 115.64 111.20 1q3h s THR 390 Ca 0.29 -1.56 -0.11 0.00 -1.21 0.00 0.00 61.69 59.10 1q3h s THR 390 Cb 0.06 -1.56 0.06 0.00 -1.51 0.00 0.00 72.50 69.55 1q3h s THR 390 CO 0.08 -0.08 1.13 -0.83 -2.21 0.00 0.00 174.62 172.71 1q3h s GLY 391 N -1.94 1.61 -0.04 6.08 0.00 -1.26 -4.34 107.32 107.43 1q3h s GLY 391 Ca 0.07 -0.62 -0.01 0.00 0.00 0.00 0.00 44.72 44.16 1q3h s GLY 391 CO 0.04 -0.18 0.07 -1.50 0.00 0.00 0.00 173.10 171.53 1q3h s ILE 392 N -3.46 -0.07 -0.08 0.90 2.07 -0.09 -4.42 121.20 116.06 1q3h s ILE 392 Ca 0.60 0.24 0.04 0.00 -1.41 0.00 0.00 60.65 60.12 1q3h s ILE 392 Cb -0.11 -0.14 -0.00 0.00 0.13 0.00 0.00 42.46 42.34 1q3h s ILE 392 CO 0.49 0.10 -0.21 -0.63 -1.91 0.00 0.00 174.94 172.77 1q3h s ILE 393 N 1.26 1.83 -0.14 2.00 1.01 0.61 -0.62 121.20 127.15 1q3h s ILE 393 Ca -0.07 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.69 1q3h s ILE 393 Cb -0.13 -1.58 0.01 0.00 0.01 0.00 0.00 42.46 40.78 1q3h s ILE 393 CO -0.04 0.51 -0.20 -0.04 0.00 0.00 0.00 174.94 175.17 1q3h s MET 394 N 0.25 2.84 -0.27 2.79 -1.94 0.34 0.09 119.30 123.39 1q3h s MET 394 Ca -0.13 -0.78 -0.01 0.00 -1.71 0.00 0.00 55.69 53.06 1q3h s MET 394 Cb -0.16 -2.35 0.04 0.00 2.01 0.00 0.00 34.83 34.37 1q3h s MET 394 CO 0.06 -0.08 -0.05 -1.21 -0.01 0.00 0.00 175.02 173.74 1q3h s GLU 395 N 0.99 2.56 -1.36 2.03 2.02 0.55 -1.37 118.70 124.13 1q3h s GLU 395 Ca -0.04 -1.16 -0.09 0.00 0.02 0.00 0.00 54.97 53.71 1q3h s GLU 395 Cb -0.15 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 31.05 1q3h s GLU 395 CO -0.05 -0.52 0.45 -1.71 0.02 0.00 0.00 175.26 173.45 1q3h n ASN 396 N 4.61 -1.53 -4.71 -0.19 4.05 -1.02 -1.56 115.26 114.91 1q3h n ASN 396 Ca -0.15 -1.10 -0.40 0.00 0.45 0.00 0.00 54.58 53.38 1q3h n ASN 396 Cb 0.45 -2.68 -0.04 0.00 1.23 0.00 0.00 39.78 38.74 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 -3.89 4.99 -0.06 3.44 1.01 -0.04 -3.16 120.40 122.69 1q3h s VAL 397 Ca 0.16 1.65 0.03 0.00 0.00 0.00 0.00 61.98 63.82 1q3h s VAL 397 Cb -0.07 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.19 1q3h s VAL 397 CO 0.91 0.22 -0.14 -0.89 0.00 0.00 0.00 175.10 175.20 1q3h s THR 398 N 0.87 1.26 -0.05 3.92 2.01 -0.76 -0.35 115.64 122.53 1q3h s THR 398 Ca 0.42 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 61.89 1q3h s THR 398 Cb -0.19 -1.12 -0.00 0.00 0.01 0.00 0.00 72.50 71.20 1q3h s THR 398 CO 0.21 0.38 -0.17 0.00 -0.69 0.00 0.00 174.62 174.35 1q3h s ALA 399 N 0.46 1.53 0.14 7.40 0.00 0.41 -0.11 121.76 131.60 1q3h s ALA 399 Ca -0.12 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.21 1q3h s ALA 399 Cb -0.15 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 1q3h s ALA 399 CO 0.04 0.25 0.19 -0.06 0.00 0.00 0.00 175.76 176.18 1q3h s PHE 400 N 0.15 3.30 0.09 0.00 0.08 -1.26 -0.40 117.98 119.95 1q3h s PHE 400 Ca -0.06 0.06 -0.33 0.00 0.12 0.00 0.00 56.93 56.71 1q3h s PHE 400 Cb -0.13 -1.59 -0.12 0.00 -0.57 0.00 0.00 43.02 40.61 1q3h s PHE 400 CO 0.03 0.52 1.75 0.91 -0.10 0.00 0.00 175.22 178.34 1q3h n TRP 401 N -0.31 2.44 -4.39 0.36 7.02 0.16 -4.70 117.44 118.03 1q3h n TRP 401 Ca -0.08 0.03 -0.24 0.00 -1.02 0.00 0.00 57.50 56.20 1q3h n TRP 401 Cb 0.54 -2.65 -0.13 0.00 -2.42 0.00 0.00 31.31 26.65 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 2.35 1.16 0.34 -0.99 0.41 -1.26 -4.64 118.70 116.07 1q3h s GLU 402 Ca 0.83 -1.04 -0.29 0.00 -0.41 0.00 0.00 54.97 54.07 1q3h s GLU 402 Cb -0.60 -1.33 -0.11 0.00 -1.78 0.00 0.00 34.13 30.31 1q3h s GLU 402 CO 0.41 0.32 1.54 0.39 -0.49 0.00 0.00 175.26 177.43 1q3h n GLU 403 N 1.41 2.70 0.00 1.61 1.02 -1.26 -2.20 120.64 123.93 1q3h n GLU 403 Ca -0.19 0.95 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 1q3h n GLU 403 Cb 0.54 -2.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.24 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 1.18 2.80 0.32 0.62 0.00 -1.26 -4.91 105.19 103.95 1q3h n GLY 404 Ca 0.04 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 1q3h n GLY 404 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1q3h h PHE 405 N 0.00 1.08 -0.53 1.61 3.04 -1.82 -1.41 116.94 118.92 1q3h h PHE 405 Ca 0.00 -0.03 -0.06 0.00 3.98 0.00 0.00 57.97 61.86 1q3h h PHE 405 Cb 0.00 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 38.14 1q3h h PHE 405 CO 0.00 0.76 0.09 0.78 -2.02 0.00 0.00 178.31 177.92 1q3h h GLY 406 N 1.08 0.89 1.26 2.40 0.00 -1.91 -0.91 103.07 105.88 1q3h h GLY 406 Ca 0.27 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 1q3h h GLY 406 CO -0.04 0.50 0.20 0.83 0.00 0.00 0.00 176.54 178.02 1q3h h GLU 407 N 0.79 0.93 -0.36 4.80 4.39 -1.77 -0.22 114.58 123.14 1q3h h GLU 407 Ca 0.17 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1q3h h GLU 407 Cb 0.34 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1q3h h GLU 407 CO 0.01 0.80 0.09 1.25 -1.16 0.00 0.00 179.01 180.00 1q3h h LEU 408 N 0.90 0.55 -1.53 1.33 7.12 -0.38 0.91 115.31 124.21 1q3h h LEU 408 Ca 0.20 -0.23 -0.03 0.00 0.13 0.00 0.00 57.88 57.96 1q3h h LEU 408 Cb 0.25 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.23 1q3h h LEU 408 CO -0.01 0.63 0.02 -0.07 -0.13 0.00 0.00 178.44 178.88 1q3h h LEU 409 N 0.44 0.29 -0.71 2.25 3.38 -0.98 -2.29 115.31 117.69 1q3h h LEU 409 Ca 0.11 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1q3h h LEU 409 Cb 0.29 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1q3h h LEU 409 CO 0.00 0.33 -0.27 -0.08 0.09 0.00 0.00 178.44 178.51 1q3h h GLU 410 N 0.31 0.00 -1.68 1.13 4.81 -0.23 -2.86 114.58 116.07 1q3h h GLU 410 Ca 0.08 0.00 -0.48 0.00 -0.13 0.00 0.00 59.36 58.83 1q3h h GLU 410 Cb 0.18 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 29.38 1q3h h GLU 410 CO 0.00 0.27 0.53 1.63 -0.73 0.00 0.00 179.01 180.70 1q3h n LYS 411 N -3.30 2.24 0.00 1.92 5.02 0.24 -5.07 118.16 119.21 1q3h n LYS 411 Ca 0.01 -2.28 0.00 0.00 -2.02 0.00 0.00 58.31 54.03 1q3h n LYS 411 Cb 0.52 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 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 0.30 0.00 0.00 -0.18 0.31 -1.08 -4.99 118.33 112.69 1q3h n VAL 412 Ca 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.77 1q3h n VAL 412 Cb 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 1q3h n VAL 412 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1q3h n PHE 430 N -1.20 0.00 -0.12 3.52 3.72 -1.26 -4.70 117.46 117.42 1q3h n PHE 430 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.44 1q3h n PHE 430 Cb 0.00 0.00 0.35 0.00 -0.94 0.00 0.00 39.48 38.89 1q3h n PHE 430 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1q3h h SER 431 N 0.46 0.65 0.03 4.37 0.87 -2.00 -1.84 113.55 116.09 1q3h h SER 431 Ca 0.00 -0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.38 1q3h h SER 431 Cb 0.00 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1q3h h SER 431 CO 0.00 0.46 -0.60 0.45 -0.53 0.00 0.00 176.83 176.61 1q3h h HIS 432 N 0.76 0.74 0.00 2.24 3.86 -2.04 -2.16 115.15 118.54 1q3h h HIS 432 Ca 0.24 -0.28 -0.04 0.00 -1.16 0.00 0.00 60.37 59.13 1q3h h HIS 432 Cb 0.01 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 1q3h h HIS 432 CO -0.00 1.03 -0.17 -0.07 0.86 0.00 0.00 177.93 179.58 1q3h h LEU 433 N 0.43 0.00 0.15 2.43 3.38 -1.78 -1.74 115.31 118.17 1q3h h LEU 433 Ca -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1q3h h LEU 433 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1q3h h LEU 433 CO 0.11 0.17 -1.54 0.00 0.09 0.00 0.00 178.44 177.28 1q3h h LEU 435 N 0.09 -0.20 -2.38 0.00 4.07 -1.27 -3.11 115.31 112.51 1q3h h LEU 435 Ca -0.25 -0.20 -0.00 0.00 0.08 0.00 0.00 57.88 57.51 1q3h h LEU 435 Cb 2.05 0.05 -0.00 0.00 1.08 0.00 0.00 40.66 43.84 1q3h h LEU 435 CO 0.18 0.10 -0.00 0.58 -1.08 0.00 0.00 178.44 178.22 1q3h h VAL 436 N -0.50 0.03 -2.98 1.22 2.07 -1.44 -3.47 116.25 111.17 1q3h h VAL 436 Ca -0.02 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1q3h h VAL 436 Cb 0.39 1.20 0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1q3h h VAL 436 CO 0.04 0.00 -0.05 0.61 0.02 0.00 0.00 177.57 178.19 1q3h n GLY 437 N -0.65 0.71 3.55 2.17 0.00 -1.12 -5.06 105.19 104.79 1q3h n GLY 437 Ca -0.02 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.04 4.60 0.32 1.61 0.01 -1.06 -4.96 114.94 112.41 1q3h s ASN 438 Ca 0.02 -0.07 -0.29 0.00 -0.71 0.00 0.00 52.86 51.82 1q3h s ASN 438 Cb -0.00 -1.29 -0.10 0.00 0.41 0.00 0.00 41.25 40.26 1q3h s ASN 438 CO 0.05 0.31 1.38 -2.16 -1.51 0.00 0.00 177.10 175.17 1q3h s PRO 439 N -0.52 4.28 0.01 -0.60 0.04 -1.26 -0.66 135.00 136.28 1q3h s PRO 439 Ca 0.08 2.32 -0.04 0.00 0.04 0.00 0.00 61.00 63.40 1q3h s PRO 439 Cb -0.12 -3.05 -0.28 0.00 0.04 0.00 0.00 34.50 31.08 1q3h s PRO 439 CO 0.02 -0.33 0.89 -0.24 0.04 0.00 0.00 177.00 177.38 1q3h h VAL 440 N 3.14 1.19 -3.90 -0.36 3.04 -1.00 -3.45 116.25 114.91 1q3h h VAL 440 Ca -0.49 -2.81 -0.25 0.00 -1.01 0.00 0.00 66.70 62.14 1q3h h VAL 440 Cb 1.23 2.79 -0.24 0.00 -2.01 0.00 0.00 31.29 33.05 1q3h h VAL 440 CO 0.68 0.83 -0.73 -0.76 -1.01 0.00 0.00 177.57 176.58 1q3h s LEU 441 N -7.03 2.13 -0.07 3.16 1.43 -1.03 -4.32 118.68 112.95 1q3h s LEU 441 Ca -0.09 -0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 52.69 1q3h s LEU 441 Cb 0.07 -0.09 0.04 0.00 0.03 0.00 0.00 46.19 46.24 1q3h s LEU 441 CO 0.86 -0.11 0.14 -0.75 0.23 0.00 0.00 176.35 176.71 1q3h s LYS 442 N -0.83 0.06 -1.28 1.70 2.20 -0.38 -0.44 119.74 120.76 1q3h s LYS 442 Ca -0.06 0.41 -0.13 0.00 -0.36 0.00 0.00 55.97 55.83 1q3h s LYS 442 Cb -0.06 -0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.04 1q3h s LYS 442 CO -0.00 -0.21 0.59 0.09 -0.36 0.00 0.00 175.35 175.45 1q3h n ASN 443 N 4.55 -2.76 -4.69 1.43 3.02 -0.25 -4.34 115.26 112.22 1q3h n ASN 443 Ca -0.20 -1.06 -0.39 0.00 -0.03 0.00 0.00 54.58 52.90 1q3h n ASN 443 Cb 0.51 -2.96 -0.06 0.00 -0.61 0.00 0.00 39.78 36.67 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 -3.72 5.08 -0.07 2.41 -1.09 0.52 -4.69 121.20 119.64 1q3h s ILE 444 Ca 0.26 1.17 0.03 0.00 -2.23 0.00 0.00 60.65 59.88 1q3h s ILE 444 Cb -0.10 -3.93 0.01 0.00 -1.58 0.00 0.00 42.46 36.86 1q3h s ILE 444 CO 0.89 0.21 -0.16 0.20 -1.23 0.00 0.00 174.94 174.85 1q3h s ASN 445 N 0.93 2.15 0.00 3.58 0.01 -1.26 -0.86 114.94 119.50 1q3h s ASN 445 Ca 0.30 -0.37 -0.26 0.00 -0.71 0.00 0.00 52.86 51.82 1q3h s ASN 445 Cb -0.16 -0.89 0.06 0.00 0.41 0.00 0.00 41.25 40.67 1q3h s ASN 445 CO 0.12 0.09 0.60 -1.48 -1.51 0.00 0.00 177.10 174.92 1q3h s LEU 446 N 0.43 -0.38 -0.30 0.60 0.05 -0.47 -4.95 118.68 113.66 1q3h s LEU 446 Ca -0.13 0.44 -0.03 0.00 0.05 0.00 0.00 54.13 54.46 1q3h s LEU 446 Cb -0.15 2.34 0.10 0.00 -2.05 0.00 0.00 46.19 46.43 1q3h s LEU 446 CO 0.04 -0.67 0.14 0.21 -0.55 0.00 0.00 176.35 175.52 1q3h s ASN 447 N -1.60 3.51 -0.24 1.48 2.47 -1.26 -0.51 114.94 118.80 1q3h s ASN 447 Ca -0.08 -1.43 -0.07 0.00 0.42 0.00 0.00 52.86 51.70 1q3h s ASN 447 Cb -0.01 -0.40 -0.03 0.00 -1.45 0.00 0.00 41.25 39.37 1q3h s ASN 447 CO 0.04 -0.42 0.05 -0.63 -3.72 0.00 0.00 177.10 172.41 1q3h s ILE 448 N 1.93 4.15 0.54 -5.21 -1.09 0.21 -4.99 121.20 116.74 1q3h s ILE 448 Ca 0.10 -0.23 -0.16 0.00 -2.23 0.00 0.00 60.65 58.14 1q3h s ILE 448 Cb -0.17 -2.92 -0.07 0.00 -1.58 0.00 0.00 42.46 37.72 1q3h s ILE 448 CO -0.31 0.37 1.00 -1.61 -1.23 0.00 0.00 174.94 173.15 1q3h s GLU 449 N 1.47 3.83 0.01 2.79 0.41 -1.26 -0.92 118.70 125.03 1q3h s GLU 449 Ca 0.05 0.95 -0.37 0.00 -0.41 0.00 0.00 54.97 55.19 1q3h s GLU 449 Cb -0.15 -2.12 -0.16 0.00 -1.78 0.00 0.00 34.13 29.92 1q3h s GLU 449 CO 0.02 -0.37 1.43 1.63 -0.49 0.00 0.00 175.26 177.48 1q3h n LYS 450 N -1.81 1.15 -0.29 1.61 5.02 -1.26 -1.47 118.16 121.10 1q3h n LYS 450 Ca 0.07 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 1q3h n LYS 450 Cb 0.54 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 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 2.89 1.43 3.85 0.72 0.00 -1.26 -4.90 105.19 107.93 1q3h n GLY 451 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.36 3.94 -0.22 1.61 2.02 -0.54 -4.53 118.70 120.62 1q3h s GLU 452 Ca 0.00 0.80 -0.07 0.00 0.02 0.00 0.00 54.97 55.72 1q3h s GLU 452 Cb 0.00 -2.25 -0.03 0.00 0.10 0.00 0.00 34.13 31.95 1q3h s GLU 452 CO 0.00 -0.13 0.06 1.41 0.02 0.00 0.00 175.26 176.63 1q3h s MET 453 N -3.79 3.76 -0.24 1.61 -2.45 -1.26 -1.80 119.30 115.14 1q3h s MET 453 Ca 0.57 -0.44 -0.11 0.00 -1.25 0.00 0.00 55.69 54.46 1q3h s MET 453 Cb -0.10 -3.28 -0.05 0.00 1.25 0.00 0.00 34.83 32.66 1q3h s MET 453 CO 0.28 -0.02 0.19 -1.17 1.05 0.00 0.00 175.02 175.35 1q3h s LEU 454 N 1.17 4.12 -0.29 4.11 0.20 0.11 -1.91 118.68 126.19 1q3h s LEU 454 Ca 0.04 0.16 -0.14 0.00 0.69 0.00 0.00 54.13 54.88 1q3h s LEU 454 Cb -0.14 -2.16 -0.03 0.00 -0.43 0.00 0.00 46.19 43.42 1q3h s LEU 454 CO 0.03 0.04 0.33 0.00 -0.29 0.00 0.00 176.35 176.46 1q3h s ALA 455 N 1.12 3.54 -0.24 5.97 0.00 -0.36 -0.92 121.76 130.86 1q3h s ALA 455 Ca 0.09 -0.99 -0.09 0.00 0.00 0.00 0.00 51.96 50.97 1q3h s ALA 455 Cb -0.14 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 1q3h s ALA 455 CO 0.05 -0.76 0.11 0.42 0.00 0.00 0.00 175.76 175.59 1q3h s ILE 456 N 1.98 4.79 0.04 0.00 1.01 0.07 -1.03 121.20 128.06 1q3h s ILE 456 Ca 0.12 -0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.76 1q3h s ILE 456 Cb -0.16 -3.23 -0.00 0.00 0.01 0.00 0.00 42.46 39.07 1q3h s ILE 456 CO 0.11 0.34 0.03 1.07 0.00 0.00 0.00 174.94 176.48 1q3h n THR 457 N 4.62 0.00 -1.00 2.92 5.66 -0.36 -1.52 114.28 124.60 1q3h n THR 457 Ca -0.16 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 1q3h n THR 457 Cb 0.52 0.12 0.00 0.00 -1.55 0.00 0.00 70.33 69.42 1q3h n THR 457 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1q3h n GLY 458 N 1.00 -0.14 3.83 1.09 0.00 -1.26 -0.30 105.19 109.41 1q3h n GLY 458 Ca 0.00 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.58 4.94 0.15 1.61 1.04 -0.89 -4.72 113.70 113.24 1q3h s SER 459 Ca 0.00 1.33 -0.31 0.00 0.48 0.00 0.00 55.95 57.45 1q3h s SER 459 Cb 0.00 -2.12 -0.10 0.00 0.10 0.00 0.00 66.02 63.90 1q3h s SER 459 CO 0.00 -1.69 1.67 0.28 0.98 0.00 0.00 173.24 174.48 1q3h s THR 460 N -3.18 2.55 -0.35 2.02 -1.32 -1.26 -2.13 115.64 111.97 1q3h s THR 460 Ca 0.59 0.28 0.00 0.00 -1.21 0.00 0.00 61.69 61.35 1q3h s THR 460 Cb -0.13 -3.18 0.00 0.00 -1.51 0.00 0.00 72.50 67.68 1q3h s THR 460 CO 0.54 0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.57 1q3h n GLY 461 N 3.95 0.44 0.01 6.08 0.00 -1.26 -4.94 105.19 109.46 1q3h n GLY 461 Ca 0.15 -0.82 0.13 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 1.35 0.23 0.00 1.61 3.41 -0.90 -4.70 113.62 114.61 1q3h n SER 462 Ca -0.04 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1q3h n SER 462 Cb 0.33 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 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 1.48 1.46 0.05 5.00 0.00 -1.26 -1.43 105.19 110.48 1q3h n GLY 463 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 0.83 -0.02 -0.37 1.61 1.57 -1.91 -0.94 116.57 117.34 1q3h h LYS 464 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1q3h h LYS 464 Cb 0.00 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1q3h h LYS 464 CO 0.00 0.06 -0.05 1.15 -0.57 0.00 0.00 179.45 180.04 1q3h h THR 465 N -0.10 1.23 -0.40 -0.16 2.02 -2.00 -2.71 112.91 110.79 1q3h h THR 465 Ca -0.00 -0.96 -0.07 0.00 0.77 0.00 0.00 66.41 66.15 1q3h h THR 465 Cb 0.10 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1q3h h THR 465 CO 0.00 0.32 -0.05 0.28 0.37 0.00 0.00 175.52 176.44 1q3h h SER 466 N 0.57 0.64 -0.57 4.18 0.02 -1.92 -0.86 113.55 115.61 1q3h h SER 466 Ca 0.11 -0.16 0.05 0.00 -0.84 0.00 0.00 61.79 60.95 1q3h h SER 466 Cb 0.44 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 1q3h h SER 466 CO 0.02 0.75 0.30 0.25 -1.14 0.00 0.00 176.83 177.01 1q3h h LEU 467 N 0.62 0.45 -1.12 5.07 5.85 -0.85 0.20 115.31 125.53 1q3h h LEU 467 Ca 0.12 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 1q3h h LEU 467 Cb 0.47 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1q3h h LEU 467 CO 0.02 0.30 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.35 1q3h h LEU 468 N 0.58 0.58 -0.49 2.25 4.07 -1.24 -1.99 115.31 119.08 1q3h h LEU 468 Ca 0.25 -0.12 -0.14 0.00 0.08 0.00 0.00 57.88 57.95 1q3h h LEU 468 Cb 0.14 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 1q3h h LEU 468 CO -0.16 0.65 -0.25 0.24 -1.08 0.00 0.00 178.44 177.85 1q3h h MET 469 N 0.59 0.98 -0.15 1.13 2.86 -0.04 -0.90 114.93 119.40 1q3h h MET 469 Ca 0.12 -0.44 0.05 0.00 -2.06 0.00 0.00 59.70 57.37 1q3h h MET 469 Cb 0.37 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.94 1q3h h MET 469 CO 0.01 1.11 -0.38 1.25 1.06 0.00 0.00 176.91 179.97 1q3h h LEU 470 N 0.84 -1.18 -1.32 1.22 5.85 -0.30 -0.33 115.31 120.09 1q3h h LEU 470 Ca 0.10 0.16 0.08 0.00 0.84 0.00 0.00 57.88 59.07 1q3h h LEU 470 Cb 0.83 0.49 -0.05 0.00 0.37 0.00 0.00 40.66 42.29 1q3h h LEU 470 CO 0.07 -0.39 0.52 0.40 -0.34 0.00 0.00 178.44 178.70 1q3h h ILE 471 N -0.44 0.98 0.00 4.05 2.04 -0.99 -1.34 117.51 121.82 1q3h h ILE 471 Ca 0.09 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1q3h h ILE 471 Cb 0.59 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1q3h h ILE 471 CO -0.39 0.14 0.00 0.18 0.00 0.00 0.00 178.15 178.08 1q3h n LEU 472 N -4.50 0.00 0.00 1.44 4.77 -0.38 -4.87 117.00 113.46 1q3h n LEU 472 Ca 0.13 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1q3h n LEU 472 Cb 0.29 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1q3h n LEU 472 CO 0.33 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1q3h n GLY 473 N 0.92 0.67 0.08 -0.72 0.00 -0.50 -4.92 105.19 100.72 1q3h n GLY 473 Ca 0.07 -0.02 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 1.18 0.00 0.00 0.00 173.32 174.50 1q3h n GLU 474 N -2.65 0.43 -5.08 1.61 -0.58 -0.21 -4.76 120.64 109.40 1q3h n GLU 474 Ca 0.00 0.08 -0.30 0.00 -0.42 0.00 0.00 57.16 56.52 1q3h n GLU 474 Cb 0.00 -1.73 -0.17 0.00 -0.57 0.00 0.00 31.44 28.98 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 -4.64 2.00 -0.07 -4.62 2.96 -1.08 -4.92 118.68 108.30 1q3h s LEU 475 Ca 0.03 -0.47 -0.23 0.00 -0.22 0.00 0.00 54.13 53.24 1q3h s LEU 475 Cb 0.12 -1.24 -0.04 0.00 0.50 0.00 0.00 46.19 45.54 1q3h s LEU 475 CO 0.77 0.18 0.68 -1.83 -1.32 0.00 0.00 176.35 174.82 1q3h s GLU 476 N 0.12 4.43 -0.55 1.98 1.03 -1.26 -4.42 118.70 120.02 1q3h s GLU 476 Ca -0.09 0.84 -0.28 0.00 0.03 0.00 0.00 54.97 55.46 1q3h s GLU 476 Cb -0.15 -3.45 0.03 0.00 -0.80 0.00 0.00 34.13 29.77 1q3h s GLU 476 CO 0.05 0.08 1.17 0.00 -1.33 0.00 0.00 175.26 175.22 1q3h s ALA 477 N 0.77 3.05 0.14 -0.84 0.00 -1.26 -4.28 121.76 119.34 1q3h s ALA 477 Ca 0.36 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.61 1q3h s ALA 477 Cb -0.17 -3.99 -0.08 0.00 0.00 0.00 0.00 23.12 18.88 1q3h s ALA 477 CO 0.17 -2.54 1.32 0.77 0.00 0.00 0.00 175.76 175.49 1q3h h SER 478 N 9.45 0.25 -3.07 0.00 0.02 -0.88 -3.45 113.55 115.87 1q3h h SER 478 Ca -0.24 -0.22 -0.56 0.00 -0.84 0.00 0.00 61.79 59.93 1q3h h SER 478 Cb 1.06 -0.08 -0.16 0.00 0.14 0.00 0.00 62.40 63.36 1q3h h SER 478 CO 1.17 1.07 -0.78 -1.61 -1.14 0.00 0.00 176.83 175.54 1q3h s GLU 479 N -3.05 1.44 0.56 3.45 2.02 -0.12 -4.96 118.70 118.02 1q3h s GLU 479 Ca -0.03 -1.56 0.00 0.00 0.02 0.00 0.00 54.97 53.41 1q3h s GLU 479 Cb 0.10 -1.50 0.00 0.00 0.10 0.00 0.00 34.13 32.82 1q3h s GLU 479 CO 0.84 0.29 0.00 0.41 0.02 0.00 0.00 175.26 176.82 1q3h n GLY 480 N -0.07 -2.23 3.01 -1.39 0.00 -1.19 -1.83 105.19 101.49 1q3h n GLY 480 Ca -0.10 -1.58 -0.21 0.00 0.00 0.00 0.00 46.02 44.13 1q3h n GLY 480 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q3h s ILE 481 N -0.32 0.86 -0.15 -0.61 1.01 -0.60 -4.92 121.20 116.47 1q3h s ILE 481 Ca 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.26 1q3h s ILE 481 Cb 0.00 -0.77 -0.00 0.00 0.01 0.00 0.00 42.46 41.70 1q3h s ILE 481 CO 0.00 0.27 -0.16 -0.63 0.00 0.00 0.00 174.94 174.41 1q3h s ILE 482 N 0.24 2.59 -0.15 2.92 1.01 -1.26 -0.33 121.20 126.22 1q3h s ILE 482 Ca -0.04 -0.80 -0.00 0.00 0.00 0.00 0.00 60.65 59.80 1q3h s ILE 482 Cb -0.10 -2.08 0.03 0.00 0.01 0.00 0.00 42.46 40.33 1q3h s ILE 482 CO 0.01 0.52 -0.08 -0.54 0.00 0.00 0.00 174.94 174.85 1q3h s LYS 483 N 0.74 1.69 0.15 2.79 1.02 0.11 -4.98 119.74 121.26 1q3h s LYS 483 Ca -0.07 -0.50 -0.24 0.00 0.02 0.00 0.00 55.97 55.17 1q3h s LYS 483 Cb -0.16 -1.97 0.06 0.00 -0.52 0.00 0.00 37.83 35.24 1q3h s LYS 483 CO 0.01 -0.35 0.79 -3.38 -0.92 0.00 0.00 175.35 171.50 1q3h s HIS 484 N 1.59 -0.30 0.17 3.18 -3.43 -1.26 -0.28 115.29 114.96 1q3h s HIS 484 Ca 0.02 0.02 0.01 0.00 -0.80 0.00 0.00 55.06 54.31 1q3h s HIS 484 Cb -0.14 0.61 -0.05 0.00 -1.43 0.00 0.00 32.58 31.58 1q3h s HIS 484 CO -0.08 -0.87 0.03 -1.54 -2.00 0.00 0.00 174.74 170.28 1q3h s SER 485 N -2.78 0.97 0.00 7.38 1.04 -1.26 -5.10 113.70 113.95 1q3h s SER 485 Ca 0.07 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.29 1q3h s SER 485 Cb -0.02 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1q3h s SER 485 CO -0.03 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.17 1q3h n GLY 486 N -0.23 -2.35 3.78 7.32 0.00 -1.26 -4.68 105.19 107.77 1q3h n GLY 486 Ca -0.05 -1.63 -0.37 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.44 4.34 0.04 1.61 0.52 -1.26 -4.89 118.95 118.87 1q3h s ARG 487 Ca 0.00 1.45 0.06 0.00 -0.52 0.00 0.00 55.73 56.72 1q3h s ARG 487 Cb 0.00 -2.65 -0.03 0.00 0.52 0.00 0.00 34.95 32.78 1q3h s ARG 487 CO 0.00 0.03 -0.13 0.14 0.02 0.00 0.00 175.30 175.36 1q3h s VAL 488 N -1.64 3.17 -0.14 3.52 -7.23 -1.26 -0.86 120.40 115.97 1q3h s VAL 488 Ca 0.55 -1.05 -0.02 0.00 -1.81 0.00 0.00 61.98 59.64 1q3h s VAL 488 Cb -0.21 -2.37 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 1q3h s VAL 488 CO 0.27 0.33 -0.06 -0.55 -0.31 0.00 0.00 175.10 174.77 1q3h s SER 489 N -1.54 4.59 -0.15 4.85 0.15 0.66 -4.95 113.70 117.32 1q3h s SER 489 Ca 0.16 -0.16 0.01 0.00 0.70 0.00 0.00 55.95 56.67 1q3h s SER 489 Cb -0.11 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.56 1q3h s SER 489 CO 0.07 0.20 -0.18 0.12 1.20 0.00 0.00 173.24 174.65 1q3h s PHE 490 N 0.17 2.73 -0.34 3.44 5.36 -1.26 -0.19 117.98 127.88 1q3h s PHE 490 Ca -0.03 -1.17 -0.04 0.00 -0.96 0.00 0.00 56.93 54.72 1q3h s PHE 490 Cb -0.14 -1.85 0.06 0.00 -0.34 0.00 0.00 43.02 40.75 1q3h s PHE 490 CO 0.03 -0.53 0.10 0.00 -1.46 0.00 0.00 175.22 173.36 1q3h s SER 492 N 1.49 5.74 0.31 0.00 1.04 -1.26 -1.19 113.70 119.83 1q3h s SER 492 Ca -0.01 1.16 -0.01 0.00 0.48 0.00 0.00 55.95 57.58 1q3h s SER 492 Cb -0.21 -2.08 0.49 0.00 0.10 0.00 0.00 66.02 64.32 1q3h s SER 492 CO -0.00 -1.13 1.97 -0.61 0.98 0.00 0.00 173.24 174.45 1q3h h GLN 493 N -0.46 1.02 -5.94 4.02 4.15 -1.91 -3.39 115.11 112.60 1q3h h GLN 493 Ca -0.45 -0.07 -0.58 0.00 0.77 0.00 0.00 58.65 58.33 1q3h h GLN 493 Cb 1.23 -0.23 -0.07 0.00 0.21 0.00 0.00 27.48 28.63 1q3h h GLN 493 CO 0.63 0.68 0.27 0.12 -1.93 0.00 0.00 178.83 178.60 1q3h s PHE 494 N -5.84 3.46 -0.65 3.99 5.36 -1.26 -4.97 117.98 118.06 1q3h s PHE 494 Ca -0.11 1.22 -0.24 0.00 -0.96 0.00 0.00 56.93 56.84 1q3h s PHE 494 Cb 0.18 -2.93 0.06 0.00 -0.34 0.00 0.00 43.02 39.98 1q3h s PHE 494 CO 0.79 -0.14 1.03 -1.12 -1.46 0.00 0.00 175.22 174.31 1q3h s SER 495 N 1.07 6.21 0.11 6.13 0.01 -1.26 -5.03 113.70 120.94 1q3h s SER 495 Ca 0.37 -0.74 -0.18 0.00 1.31 0.00 0.00 55.95 56.71 1q3h s SER 495 Cb -0.17 -2.45 -0.07 0.00 0.21 0.00 0.00 66.02 63.54 1q3h s SER 495 CO 0.14 -1.48 0.58 -1.66 0.41 0.00 0.00 173.24 171.23 1q3h s TRP 496 N 4.39 3.74 -0.17 2.43 1.48 -1.26 -4.94 118.94 124.60 1q3h s TRP 496 Ca 0.27 1.23 -0.01 0.00 -1.06 0.00 0.00 56.10 56.53 1q3h s TRP 496 Cb -0.14 -2.48 0.05 0.00 -1.16 0.00 0.00 33.47 29.74 1q3h s TRP 496 CO 0.13 0.52 -0.04 0.42 -4.06 0.00 0.00 176.95 173.92 1q3h s ILE 497 N -1.24 1.09 0.40 0.66 -1.09 -1.26 -4.84 121.20 114.91 1q3h s ILE 497 Ca 0.33 -0.68 -0.17 0.00 -2.23 0.00 0.00 60.65 57.90 1q3h s ILE 497 Cb -0.18 -1.31 -0.09 0.00 -1.58 0.00 0.00 42.46 39.30 1q3h s ILE 497 CO 0.19 0.07 0.86 0.00 -1.23 0.00 0.00 174.94 174.83 1q3h s MET 498 N 1.63 4.06 0.37 2.79 0.23 -1.26 -1.55 119.30 125.58 1q3h s MET 498 Ca -0.00 0.87 -0.28 0.00 -1.03 0.00 0.00 55.69 55.25 1q3h s MET 498 Cb -0.16 -2.28 -0.11 0.00 -1.53 0.00 0.00 34.83 30.74 1q3h s MET 498 CO -0.07 0.00 1.38 -2.30 -2.03 0.00 0.00 175.02 172.00 1q3h n PRO 499 N -0.74 2.36 0.00 3.16 -0.02 -1.26 -4.75 135.00 133.75 1q3h n PRO 499 Ca 0.05 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1q3h n PRO 499 Cb 0.54 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 0.62 1.94 3.75 -1.23 0.00 -1.10 -4.95 105.19 104.22 1q3h n GLY 500 Ca 0.03 -1.90 -0.30 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 -1.43 1.85 0.13 2.61 -4.23 -1.26 -0.22 115.64 113.09 1q3h s THR 501 Ca 0.00 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.36 1q3h s THR 501 Cb 0.00 -2.72 -0.00 0.00 1.34 0.00 0.00 72.50 71.12 1q3h s THR 501 CO 0.00 0.00 1.62 0.40 -0.54 0.00 0.00 174.62 176.10 1q3h h ILE 502 N -1.95 1.24 -0.77 2.99 2.04 -1.30 -1.68 117.51 118.08 1q3h h ILE 502 Ca -0.47 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 64.54 1q3h h ILE 502 Cb 1.29 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 38.31 1q3h h ILE 502 CO 0.45 0.29 0.47 0.50 0.00 0.00 0.00 178.15 179.86 1q3h h LYS 503 N 0.55 1.04 -0.13 2.37 3.64 -1.40 -1.90 116.57 120.75 1q3h h LYS 503 Ca 0.13 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 1q3h h LYS 503 Cb 0.35 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1q3h h LYS 503 CO 0.01 0.73 -0.30 0.93 -2.27 0.00 0.00 179.45 178.55 1q3h h GLU 504 N 1.05 0.24 -0.12 1.90 5.08 -1.79 -1.33 114.58 119.62 1q3h h GLU 504 Ca 0.28 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.46 1q3h h GLU 504 Cb -0.05 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1q3h h GLU 504 CO -0.05 0.52 -0.34 -0.91 -1.00 0.00 0.00 179.01 177.23 1q3h h ASN 505 N 0.21 0.24 0.54 1.42 2.35 -0.68 -2.12 115.58 117.53 1q3h h ASN 505 Ca 0.03 -0.09 -0.29 0.00 -0.55 0.00 0.00 56.30 55.40 1q3h h ASN 505 Cb 0.64 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.96 1q3h h ASN 505 CO 0.05 0.57 -1.31 0.40 -1.65 0.00 0.00 177.43 175.49 1q3h h ILE 506 N 0.20 1.43 -0.22 2.81 2.04 -0.94 -3.31 117.51 119.52 1q3h h ILE 506 Ca 0.02 -2.97 0.00 0.00 1.00 0.00 0.00 64.86 62.91 1q3h h ILE 506 Cb 0.71 2.96 0.00 0.00 -0.74 0.00 0.00 36.82 39.75 1q3h h ILE 506 CO 0.05 0.87 0.00 -0.38 0.00 0.00 0.00 178.15 178.70 1q3h n ILE 507 N -3.57 0.28 -1.38 -0.67 -0.00 -0.54 -4.28 119.36 109.20 1q3h n ILE 507 Ca -0.11 -0.50 -0.52 0.00 -0.00 0.00 0.00 62.75 61.63 1q3h n ILE 507 Cb 1.04 0.71 -0.11 0.00 -0.00 0.00 0.00 39.64 41.28 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 0.83 1.13 -1.10 1.39 7.35 -0.80 -1.24 117.46 125.02 1q3h n PHE 508 Ca 0.17 0.52 -0.03 0.00 -0.76 0.00 0.00 57.45 57.34 1q3h n PHE 508 Cb 0.46 -2.39 -0.01 0.00 0.35 0.00 0.00 39.48 37.88 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 6.94 0.64 3.11 7.13 0.00 -1.26 -5.01 105.19 116.73 1q3h n GLY 509 Ca 0.54 -0.68 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.08 0.94 0.23 1.61 1.01 -0.37 -5.11 120.40 116.63 1q3h s VAL 510 Ca 0.00 -0.94 -0.32 0.00 0.00 0.00 0.00 61.98 60.72 1q3h s VAL 510 Cb 0.00 -0.87 -0.13 0.00 0.00 0.00 0.00 36.38 35.38 1q3h s VAL 510 CO 0.00 -0.06 1.53 -1.54 0.00 0.00 0.00 175.10 175.03 1q3h n SER 511 N 1.92 3.25 -4.77 3.32 3.41 -1.26 -4.93 113.62 114.56 1q3h n SER 511 Ca -0.18 1.12 -0.38 0.00 -0.26 0.00 0.00 58.87 59.16 1q3h n SER 511 Cb 0.55 -1.49 -0.02 0.00 -0.26 0.00 0.00 64.21 62.99 1q3h n SER 511 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1q3h s TYR 512 N 0.32 3.11 -0.31 7.33 5.04 -1.26 -5.03 117.35 126.56 1q3h s TYR 512 Ca 0.70 1.57 0.02 0.00 -2.44 0.00 0.00 57.07 56.92 1q3h s TYR 512 Cb -0.60 -3.36 0.15 0.00 0.35 0.00 0.00 41.96 38.50 1q3h s TYR 512 CO 0.45 -1.22 0.37 0.34 -1.34 0.00 0.00 175.55 174.15 1q3h s ASP 513 N -1.16 0.96 0.25 4.32 -1.08 -1.26 -5.06 116.67 113.64 1q3h s ASP 513 Ca 0.56 -0.80 -0.03 0.00 -0.52 0.00 0.00 52.55 51.76 1q3h s ASP 513 Cb -0.30 0.80 0.50 0.00 -1.46 0.00 0.00 42.92 42.45 1q3h s ASP 513 CO 0.38 -0.34 1.71 -0.08 0.52 0.00 0.00 175.17 177.35 1q3h h GLU 514 N 7.92 0.35 -0.30 4.34 4.81 -1.99 0.91 114.58 130.62 1q3h h GLU 514 Ca -0.07 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1q3h h GLU 514 Cb 1.09 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1q3h h GLU 514 CO 0.27 0.23 0.06 -0.92 -0.73 0.00 0.00 179.01 177.92 1q3h h TYR 515 N 0.36 0.51 -0.36 0.92 3.20 -1.99 -1.49 116.97 118.12 1q3h h TYR 515 Ca 0.43 -0.07 -0.11 0.00 3.14 0.00 0.00 58.73 62.13 1q3h h TYR 515 Cb 0.72 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1q3h h TYR 515 CO -0.21 0.56 -0.21 -0.09 -1.64 0.00 0.00 178.16 176.58 1q3h h ARG 516 N 0.31 0.69 -0.01 1.82 2.43 -1.56 -2.35 114.38 115.71 1q3h h ARG 516 Ca 0.09 -0.26 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1q3h h ARG 516 Cb 0.32 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1q3h h ARG 516 CO 0.00 0.85 0.00 -0.92 -1.51 0.00 0.00 179.97 178.39 1q3h h TYR 517 N 0.61 0.02 -0.73 2.20 3.20 -0.75 -2.04 116.97 119.49 1q3h h TYR 517 Ca 0.09 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 1q3h h TYR 517 Cb 0.69 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.92 1q3h h TYR 517 CO 0.03 0.26 0.45 0.87 -1.64 0.00 0.00 178.16 178.13 1q3h h LYS 518 N -0.22 0.98 -0.35 1.82 1.57 -1.24 -0.96 116.57 118.17 1q3h h LYS 518 Ca 0.00 -0.08 -0.17 0.00 -1.87 0.00 0.00 60.65 58.53 1q3h h LYS 518 Cb 0.25 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1q3h h LYS 518 CO 0.00 0.68 -0.45 0.66 -0.57 0.00 0.00 179.45 179.78 1q3h h SER 519 N 1.00 1.00 -0.13 0.86 4.64 -1.34 -1.31 113.55 118.26 1q3h h SER 519 Ca 0.26 -0.49 -0.01 0.00 -0.47 0.00 0.00 61.79 61.09 1q3h h SER 519 Cb -0.05 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.75 1q3h h SER 519 CO -0.05 1.29 0.03 0.58 -0.87 0.00 0.00 176.83 177.81 1q3h h VAL 520 N 0.73 1.20 -0.99 0.95 2.07 -1.12 -1.52 116.25 117.57 1q3h h VAL 520 Ca 0.04 -0.62 0.06 0.00 0.82 0.00 0.00 66.70 67.00 1q3h h VAL 520 Cb 1.05 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 32.11 1q3h h VAL 520 CO 0.11 0.18 0.64 0.58 0.02 0.00 0.00 177.57 179.10 1q3h h VAL 521 N 0.02 1.12 -0.04 2.57 2.07 -1.04 0.14 116.25 121.08 1q3h h VAL 521 Ca 0.04 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1q3h h VAL 521 Cb 0.25 -0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 29.84 1q3h h VAL 521 CO 0.00 0.22 -0.06 0.50 0.02 0.00 0.00 177.57 178.24 1q3h h LYS 522 N 1.19 0.12 -0.34 1.57 3.64 -1.20 -1.37 116.57 120.18 1q3h h LYS 522 Ca 0.42 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.66 1q3h h LYS 522 Cb 0.11 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1q3h h LYS 522 CO -0.15 0.62 -0.09 0.00 -2.27 0.00 0.00 179.45 177.56 1q3h h ALA 523 N 0.50 1.22 -0.03 5.00 0.00 -0.74 -1.25 119.26 123.96 1q3h h ALA 523 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1q3h h ALA 523 Cb 0.61 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1q3h h ALA 523 CO 0.01 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.77 1q3h n GLN 525 N -0.50 -6.41 0.04 0.00 1.13 -0.47 -4.88 117.38 106.28 1q3h n GLN 525 Ca 0.06 0.83 0.11 0.00 -1.94 0.00 0.00 57.00 56.06 1q3h n GLN 525 Cb 0.05 -5.70 0.01 0.00 0.11 0.00 0.00 30.24 24.70 1q3h n GLN 525 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1q3h n LEU 526 N -4.42 0.60 -0.20 1.08 4.77 -0.53 -4.23 117.00 114.07 1q3h n LEU 526 Ca -0.04 0.04 -0.02 0.00 -0.03 0.00 0.00 56.01 55.95 1q3h n LEU 526 Cb 0.58 -0.09 0.18 0.00 -2.33 0.00 0.00 43.42 41.77 1q3h n LEU 526 CO 0.55 0.00 1.10 -0.61 -1.33 0.00 0.00 177.39 177.10 1q3h h GLN 527 N 0.00 0.98 0.00 3.23 5.75 -1.87 0.61 115.11 123.81 1q3h h GLN 527 Ca 0.00 -0.14 -0.03 0.00 -0.15 0.00 0.00 58.65 58.33 1q3h h GLN 527 Cb 0.79 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 29.16 1q3h h GLN 527 CO 0.00 0.77 -0.14 1.96 -2.65 0.00 0.00 178.83 178.77 1q3h h GLN 528 N 0.97 0.00 0.00 1.69 7.50 -1.94 -2.35 115.11 120.99 1q3h h GLN 528 Ca 0.24 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.36 1q3h h GLN 528 Cb 0.12 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.65 1q3h h GLN 528 CO -0.03 0.14 -0.21 -0.44 -1.50 0.00 0.00 178.83 176.79 1q3h h ASP 529 N 0.00 0.00 0.35 1.46 3.32 -1.17 -3.37 116.42 117.01 1q3h h ASP 529 Ca -0.00 -0.39 -0.05 0.00 0.02 0.00 0.00 57.03 56.61 1q3h h ASP 529 Cb 0.40 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1q3h h ASP 529 CO 0.02 0.81 -0.24 0.16 -1.72 0.00 0.00 179.24 178.26 1q3h h ILE 530 N -1.00 0.99 0.00 0.35 3.07 -1.09 -0.90 117.51 118.93 1q3h h ILE 530 Ca -0.04 -0.89 -0.00 0.00 1.55 0.00 0.00 64.86 65.48 1q3h h ILE 530 Cb 0.54 1.50 -0.00 0.00 -0.27 0.00 0.00 36.82 38.60 1q3h h ILE 530 CO -0.02 0.24 -0.01 0.00 -1.05 0.00 0.00 178.15 177.30 1q3h h THR 531 N 0.00 0.10 0.00 0.16 1.03 -1.61 -1.25 112.91 111.34 1q3h h THR 531 Ca -0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 66.41 66.20 1q3h h THR 531 Cb 0.48 1.17 0.00 0.00 -1.07 0.00 0.00 68.15 68.74 1q3h h THR 531 CO 0.03 0.01 0.00 0.29 -0.01 0.00 0.00 175.52 175.85 1q3h n LYS 532 N -3.19 0.06 -4.47 0.00 5.02 -0.34 -4.84 118.16 110.40 1q3h n LYS 532 Ca -0.02 0.11 -0.34 0.00 -2.02 0.00 0.00 58.31 56.04 1q3h n LYS 532 Cb 0.15 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.56 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 -2.92 3.02 0.19 2.13 2.99 -0.47 -5.03 117.98 117.90 1q3h s PHE 533 Ca 0.13 0.08 -0.17 0.00 0.00 0.00 0.00 56.93 56.97 1q3h s PHE 533 Cb 0.15 -1.71 0.17 0.00 0.00 0.00 0.00 43.02 41.62 1q3h s PHE 533 CO 0.39 0.40 1.62 0.00 -0.00 0.00 0.00 175.22 177.64 1q3h h ALA 534 N 4.98 0.23 -0.56 5.36 0.00 -1.88 -1.79 119.26 125.59 1q3h h ALA 534 Ca -0.49 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1q3h h ALA 534 Cb 1.18 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1q3h h ALA 534 CO 0.54 -0.51 0.00 0.39 0.00 0.00 0.00 179.25 179.67 1q3h n GLU 535 N -5.41 4.03 0.00 0.00 -0.58 -1.26 -5.04 120.64 112.38 1q3h n GLU 535 Ca 0.05 -2.95 0.00 0.00 -0.42 0.00 0.00 57.16 53.84 1q3h n GLU 535 Cb 0.31 -2.00 0.00 0.00 -0.57 0.00 0.00 31.44 29.19 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 0.72 0.00 0.00 3.49 6.02 -0.68 -0.39 117.38 126.54 1q3h n GLN 536 Ca 0.25 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.29 1q3h n GLN 536 Cb 0.98 0.00 0.26 0.00 1.02 0.00 0.00 30.24 32.51 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 2.23 0.00 -1.30 1.08 5.75 -1.26 -1.52 116.55 121.53 1q3h n ASP 537 Ca 0.00 -1.45 0.11 0.00 -0.01 0.00 0.00 54.79 53.44 1q3h n ASP 537 Cb 0.00 0.00 0.31 0.00 -1.03 0.00 0.00 41.12 40.40 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 -0.66 3.76 -4.73 -1.12 5.03 0.47 -1.08 115.26 116.94 1q3h n ASN 538 Ca 0.07 -2.01 -0.42 0.00 0.87 0.00 0.00 54.58 53.09 1q3h n ASN 538 Cb 0.03 -0.47 -0.03 0.00 -1.02 0.00 0.00 39.78 38.29 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 -1.07 2.26 0.01 3.41 2.01 -0.58 -4.78 115.64 116.89 1q3h s THR 539 Ca 0.47 0.20 -0.27 0.00 0.31 0.00 0.00 61.69 62.40 1q3h s THR 539 Cb 0.24 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 1q3h s THR 539 CO 0.32 0.02 0.84 -0.69 -0.69 0.00 0.00 174.62 174.42 1q3h s VAL 540 N 0.81 4.83 -0.03 3.82 1.01 -1.26 -1.73 120.40 127.86 1q3h s VAL 540 Ca 0.70 1.77 0.02 0.00 0.00 0.00 0.00 61.98 64.47 1q3h s VAL 540 Cb -0.47 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 31.69 1q3h s VAL 540 CO 0.36 0.26 -0.07 -0.76 0.00 0.00 0.00 175.10 174.90 1q3h s LEU 541 N 0.53 3.17 0.61 3.92 1.43 0.69 -4.94 118.68 124.09 1q3h s LEU 541 Ca 0.44 -0.09 -0.09 0.00 -1.03 0.00 0.00 54.13 53.36 1q3h s LEU 541 Cb -0.20 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 1q3h s LEU 541 CO 0.24 0.32 0.97 -0.83 0.23 0.00 0.00 176.35 177.28 1q3h s GLY 542 N -1.15 1.61 0.21 -3.19 0.00 -1.26 -2.73 107.32 100.81 1q3h s GLY 542 Ca 0.15 -0.38 -0.31 0.00 0.00 0.00 0.00 44.72 44.18 1q3h s GLY 542 CO 0.05 -0.10 1.14 1.18 0.00 0.00 0.00 173.10 175.36 1q3h n GLU 543 N -2.69 1.28 -0.08 2.90 -0.58 -1.26 0.15 120.64 120.37 1q3h n GLU 543 Ca 0.05 0.45 0.00 0.00 -0.42 0.00 0.00 57.16 57.24 1q3h n GLU 543 Cb 0.56 -1.92 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 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 1.82 2.68 3.98 0.62 0.00 -0.59 -4.33 105.19 109.37 1q3h n GLY 544 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.57 0.18 -0.02 0.00 0.12 -4.75 105.19 98.15 1q3h n GLY 545 Ca 0.00 0.28 0.04 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 -2.07 0.96 -0.00 1.61 2.07 -1.77 -2.61 116.25 114.44 1q3h h VAL 546 Ca -0.67 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 65.21 1q3h h VAL 546 Cb 1.38 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 1q3h h VAL 546 CO 0.57 0.41 -0.27 0.35 0.02 0.00 0.00 177.57 178.65 1q3h n THR 547 N -3.56 0.00 -1.46 2.57 -2.24 -1.26 -4.89 114.28 103.45 1q3h n THR 547 Ca -0.00 -0.08 -0.31 0.00 -2.27 0.00 0.00 64.05 61.39 1q3h n THR 547 Cb 0.53 0.22 0.08 0.00 -2.10 0.00 0.00 70.33 69.06 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 2.90 0.88 3.22 1.02 -0.98 -5.06 118.68 118.03 1q3h s LEU 548 Ca 0.22 1.58 -0.12 0.00 0.02 0.00 0.00 54.13 55.83 1q3h s LEU 548 Cb 0.19 -4.31 0.12 0.00 0.02 0.00 0.00 46.19 42.20 1q3h s LEU 548 CO 0.55 -1.82 1.11 -0.94 0.02 0.00 0.00 176.35 175.27 1q3h s SER 549 N -3.69 3.76 0.22 2.29 1.04 -1.26 -4.91 113.70 111.15 1q3h s SER 549 Ca 0.60 1.21 -0.07 0.00 0.48 0.00 0.00 55.95 58.17 1q3h s SER 549 Cb -0.15 -1.88 0.18 0.00 0.10 0.00 0.00 66.02 64.27 1q3h s SER 549 CO 0.55 -2.42 1.74 1.23 0.98 0.00 0.00 173.24 175.33 1q3h h GLY 550 N -1.40 1.17 1.07 7.32 0.00 -1.97 -2.17 103.07 107.09 1q3h h GLY 550 Ca -0.50 -0.71 -0.09 0.00 0.00 0.00 0.00 47.33 46.03 1q3h h GLY 550 CO 0.59 0.67 0.05 -1.33 0.00 0.00 0.00 176.54 176.51 1q3h h GLY 551 N 1.07 1.16 1.00 4.60 0.00 -1.96 -1.09 103.07 107.84 1q3h h GLY 551 Ca 0.22 -0.82 0.01 0.00 0.00 0.00 0.00 47.33 46.74 1q3h h GLY 551 CO 0.00 0.75 0.32 1.46 0.00 0.00 0.00 176.54 179.07 1q3h h GLN 552 N 0.98 0.63 -0.59 4.80 4.20 -1.89 0.13 115.11 123.37 1q3h h GLN 552 Ca 0.18 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 1q3h h GLN 552 Cb 0.51 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1q3h h GLN 552 CO 0.02 0.42 0.24 0.00 -0.67 0.00 0.00 178.83 178.84 1q3h h ARG 553 N 0.65 0.88 -0.31 1.46 3.08 -1.16 -1.64 114.38 117.34 1q3h h ARG 553 Ca 0.18 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 60.10 1q3h h ARG 553 Cb -0.07 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 1q3h h ARG 553 CO -0.04 0.75 0.12 0.00 -1.07 0.00 0.00 179.97 179.73 1q3h h ALA 554 N 1.09 0.36 -0.66 0.04 0.00 -0.79 -0.57 119.26 118.73 1q3h h ALA 554 Ca 0.20 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1q3h h ALA 554 Cb 0.20 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1q3h h ALA 554 CO -0.02 -0.27 0.23 0.00 0.00 0.00 0.00 179.25 179.20 1q3h h ARG 555 N 0.27 1.01 -0.70 0.00 3.08 -0.47 0.37 114.38 117.94 1q3h h ARG 555 Ca 0.13 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1q3h h ARG 555 Cb 0.08 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1q3h h ARG 555 CO -0.12 0.86 0.36 0.82 -1.07 0.00 0.00 179.97 180.82 1q3h h ILE 556 N 0.95 1.22 0.00 2.04 2.04 -1.16 0.72 117.51 123.32 1q3h h ILE 556 Ca 0.22 -0.60 -0.13 0.00 1.00 0.00 0.00 64.86 65.35 1q3h h ILE 556 Cb 0.25 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1q3h h ILE 556 CO -0.01 0.26 -0.60 -1.28 0.00 0.00 0.00 178.15 176.52 1q3h h SER 557 N 0.97 0.00 0.00 1.72 0.87 -0.50 -1.23 113.55 115.38 1q3h h SER 557 Ca 0.24 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1q3h h SER 557 Cb 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1q3h h SER 557 CO -0.03 0.60 -0.00 0.25 -0.53 0.00 0.00 176.83 177.11 1q3h h LEU 558 N 0.00 -0.00 -1.19 2.23 6.46 -0.04 -2.85 115.31 119.92 1q3h h LEU 558 Ca -0.01 -0.50 0.07 0.00 -0.12 0.00 0.00 57.88 57.33 1q3h h LEU 558 Cb 1.10 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.97 1q3h h LEU 558 CO 0.08 0.50 0.57 0.00 -0.62 0.00 0.00 178.44 178.97 1q3h h ALA 559 N 0.49 1.56 0.35 1.25 0.00 -0.60 -0.35 119.26 121.95 1q3h h ALA 559 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1q3h h ALA 559 Cb 0.50 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1q3h h ALA 559 CO 0.00 0.29 -0.26 -0.09 0.00 0.00 0.00 179.25 179.19 1q3h h ARG 560 N 0.96 -0.58 -0.33 0.00 2.43 -1.25 0.24 114.38 115.85 1q3h h ARG 560 Ca 0.38 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.57 1q3h h ARG 560 Cb 0.25 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1q3h h ARG 560 CO -0.15 -0.39 0.09 0.00 -1.51 0.00 0.00 179.97 178.02 1q3h h ALA 561 N -0.02 1.55 0.05 2.80 0.00 -1.08 -2.52 119.26 120.04 1q3h h ALA 561 Ca -0.03 -0.12 -0.25 0.00 0.00 0.00 0.00 54.91 54.51 1q3h h ALA 561 Cb 0.52 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1q3h h ALA 561 CO -0.00 0.34 -1.24 0.28 0.00 0.00 0.00 179.25 178.63 1q3h h VAL 562 N 0.47 1.45 -0.25 0.00 2.07 -0.88 -3.24 116.25 115.87 1q3h h VAL 562 Ca 0.11 -3.14 -0.08 0.00 0.82 0.00 0.00 66.70 64.42 1q3h h VAL 562 Cb 0.16 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 1q3h h VAL 562 CO -0.01 0.87 -0.17 0.22 0.02 0.00 0.00 177.57 178.50 1q3h h TYR 563 N 0.03 0.48 -3.60 1.57 3.20 -0.27 -3.42 116.97 114.95 1q3h h TYR 563 Ca -0.12 -0.08 -0.53 0.00 3.14 0.00 0.00 58.73 61.14 1q3h h TYR 563 Cb 1.89 -0.13 0.09 0.00 1.54 0.00 0.00 36.73 40.13 1q3h h TYR 563 CO 0.03 0.60 0.82 0.21 -1.64 0.00 0.00 178.16 178.18 1q3h s LYS 564 N -4.64 4.14 -0.39 1.82 2.20 -0.97 -4.95 119.74 116.95 1q3h s LYS 564 Ca -0.07 2.54 -0.21 0.00 -0.36 0.00 0.00 55.97 57.88 1q3h s LYS 564 Cb 0.14 -3.01 0.01 0.00 -1.51 0.00 0.00 37.83 33.47 1q3h s LYS 564 CO 0.77 -0.56 0.64 0.34 -0.36 0.00 0.00 175.35 176.19 1q3h s ASP 565 N 0.19 6.38 0.20 1.43 3.68 -1.26 -4.99 116.67 122.29 1q3h s ASP 565 Ca 0.58 -0.06 -0.01 0.00 2.13 0.00 0.00 52.55 55.19 1q3h s ASP 565 Cb -0.46 -2.32 -0.04 0.00 -1.45 0.00 0.00 42.92 38.64 1q3h s ASP 565 CO 0.54 -0.68 0.13 0.00 0.13 0.00 0.00 175.17 175.29 1q3h s ALA 566 N 2.77 1.17 -0.07 3.66 0.00 -1.26 -4.97 121.76 123.05 1q3h s ALA 566 Ca 0.24 -1.69 0.14 0.00 0.00 0.00 0.00 51.96 50.65 1q3h s ALA 566 Cb -0.14 1.35 -0.17 0.00 0.00 0.00 0.00 23.12 24.16 1q3h s ALA 566 CO 0.17 -0.58 0.83 -0.44 0.00 0.00 0.00 175.76 175.74 1q3h h ASP 567 N 2.63 0.00 -3.44 0.00 3.32 -1.16 -3.45 116.42 114.32 1q3h h ASP 567 Ca -0.36 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.31 1q3h h ASP 567 Cb 1.25 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.45 1q3h h ASP 567 CO 0.54 0.79 -0.76 -0.22 -1.72 0.00 0.00 179.24 177.87 1q3h s LEU 568 N -6.03 1.05 -0.21 1.55 2.96 -0.71 -2.71 118.68 114.58 1q3h s LEU 568 Ca -0.03 -0.06 -0.05 0.00 -0.22 0.00 0.00 54.13 53.77 1q3h s LEU 568 Cb 0.08 -0.31 -0.03 0.00 0.50 0.00 0.00 46.19 46.44 1q3h s LEU 568 CO 0.81 -0.11 0.01 -0.31 -1.32 0.00 0.00 176.35 175.43 1q3h s TYR 569 N 1.22 3.05 -0.31 5.38 1.51 -0.45 -0.25 117.35 127.50 1q3h s TYR 569 Ca -0.07 -0.44 -0.07 0.00 -1.01 0.00 0.00 57.07 55.48 1q3h s TYR 569 Cb -0.13 -2.11 0.02 0.00 -0.11 0.00 0.00 41.96 39.62 1q3h s TYR 569 CO -0.02 -0.25 0.09 -0.51 -1.11 0.00 0.00 175.55 173.75 1q3h s LEU 570 N 1.09 4.02 -0.43 -1.29 1.43 0.74 0.10 118.68 124.34 1q3h s LEU 570 Ca 0.03 -0.87 -0.02 0.00 -1.03 0.00 0.00 54.13 52.24 1q3h s LEU 570 Cb -0.14 -1.88 0.12 0.00 0.03 0.00 0.00 46.19 44.32 1q3h s LEU 570 CO 0.02 -0.24 0.22 -0.76 0.23 0.00 0.00 176.35 175.82 1q3h s LEU 571 N 1.46 5.18 -0.76 1.79 1.02 0.20 -0.42 118.68 127.16 1q3h s LEU 571 Ca 0.01 -2.17 -0.20 0.00 0.02 0.00 0.00 54.13 51.79 1q3h s LEU 571 Cb -0.18 -1.81 0.11 0.00 0.02 0.00 0.00 46.19 44.33 1q3h s LEU 571 CO 0.02 -0.50 0.96 -0.62 0.02 0.00 0.00 176.35 176.24 1q3h s ASP 572 N 1.54 6.39 -1.23 2.29 -1.08 -0.33 -0.03 116.67 124.22 1q3h s ASP 572 Ca 0.10 -1.60 -0.08 0.00 -0.52 0.00 0.00 52.55 50.45 1q3h s ASP 572 Cb -0.22 -2.37 0.01 0.00 -1.46 0.00 0.00 42.92 38.87 1q3h s ASP 572 CO -0.04 -1.17 0.99 -1.20 0.52 0.00 0.00 175.17 174.27 1q3h n SER 573 N 6.74 -5.88 0.26 -0.34 7.64 -0.63 -3.26 113.62 118.15 1q3h n SER 573 Ca 0.07 -0.45 0.11 0.00 1.01 0.00 0.00 58.87 59.61 1q3h n SER 573 Cb 0.46 -4.53 0.68 0.00 -1.01 0.00 0.00 64.21 59.82 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 -2.27 0.00 -3.59 1.43 0.13 -1.81 -3.36 132.00 122.53 1q3h h PRO 574 Ca -0.50 0.00 -0.80 0.00 -0.87 0.00 0.00 66.00 63.83 1q3h h PRO 574 Cb 1.33 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.19 1q3h h PRO 574 CO 0.50 0.13 0.58 1.19 -0.23 0.00 0.00 178.00 180.17 1q3h n PHE 575 N -3.85 4.93 -1.74 1.56 3.72 -1.26 -4.68 117.46 116.14 1q3h n PHE 575 Ca -0.02 -3.73 0.01 0.00 -0.05 0.00 0.00 57.45 53.66 1q3h n PHE 575 Cb 0.22 -1.70 0.01 0.00 -0.94 0.00 0.00 39.48 37.07 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 2.64 0.31 1.72 1.37 0.00 -1.26 -4.83 105.19 105.14 1q3h n GLY 576 Ca 0.25 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 1q3h n GLY 576 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1q3h n TYR 577 N -0.12 -0.42 0.08 1.61 4.01 -1.26 -4.49 117.16 116.57 1q3h n TYR 577 Ca 0.01 -1.11 -0.10 0.00 -0.16 0.00 0.00 57.90 56.54 1q3h n TYR 577 Cb 0.66 -0.19 -0.01 0.00 -0.31 0.00 0.00 39.34 39.49 1q3h n TYR 577 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1q3h h LEU 578 N 0.00 0.37 -7.50 7.72 3.38 -1.99 -3.39 115.31 113.90 1q3h h LEU 578 Ca -0.17 -0.29 -0.68 0.00 0.09 0.00 0.00 57.88 56.82 1q3h h LEU 578 Cb 0.59 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 1q3h h LEU 578 CO 0.28 1.08 2.38 -0.90 0.09 0.00 0.00 178.44 181.37 1q3h n ASP 579 N -3.71 4.72 0.07 -0.43 3.85 -1.26 -4.74 116.55 115.04 1q3h n ASP 579 Ca -0.05 -2.90 -0.10 0.00 -0.71 0.00 0.00 54.79 51.03 1q3h n ASP 579 Cb 0.80 -1.73 -0.13 0.00 -1.35 0.00 0.00 41.12 38.71 1q3h n ASP 579 CO 0.00 0.00 0.00 1.62 -1.01 0.00 0.00 177.20 177.81 1q3h h VAL 580 N 5.27 1.59 -0.38 2.12 3.04 -1.98 -2.84 116.25 123.07 1q3h h VAL 580 Ca 0.47 -3.27 -0.04 0.00 -1.01 0.00 0.00 66.70 62.86 1q3h h VAL 580 Cb 0.83 2.84 -0.02 0.00 -2.01 0.00 0.00 31.29 32.93 1q3h h VAL 580 CO 1.54 0.92 0.09 -0.26 -1.01 0.00 0.00 177.57 178.85 1q3h h PHE 581 N 0.02 0.64 -0.58 3.17 0.05 -1.96 -0.96 116.94 117.32 1q3h h PHE 581 Ca -0.07 -0.08 0.07 0.00 3.82 0.00 0.00 57.97 61.71 1q3h h PHE 581 Cb 1.85 -0.18 -0.06 0.00 2.00 0.00 0.00 35.95 39.56 1q3h h PHE 581 CO 0.02 0.63 0.27 1.15 -0.18 0.00 0.00 178.31 180.20 1q3h h THR 582 N 0.46 0.88 -0.72 -1.55 2.02 -1.96 -2.28 112.91 109.76 1q3h h THR 582 Ca 0.12 -0.17 0.04 0.00 0.77 0.00 0.00 66.41 67.17 1q3h h THR 582 Cb 0.32 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 1q3h h THR 582 CO 0.00 0.09 0.47 -0.33 0.37 0.00 0.00 175.52 176.13 1q3h h GLU 583 N 0.50 0.82 -0.53 6.66 5.08 -1.16 -0.29 114.58 125.66 1q3h h GLU 583 Ca 0.27 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1q3h h GLU 583 Cb 0.25 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1q3h h GLU 583 CO -0.22 0.54 0.11 0.93 -1.00 0.00 0.00 179.01 179.37 1q3h h GLU 584 N 0.84 0.87 -0.64 2.33 5.08 -0.69 -1.07 114.58 121.30 1q3h h GLU 584 Ca 0.29 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1q3h h GLU 584 Cb 0.11 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1q3h h GLU 584 CO -0.09 0.83 0.14 1.96 -1.00 0.00 0.00 179.01 180.85 1q3h h GLN 585 N 0.76 1.03 -0.56 2.33 4.20 -0.73 -2.31 115.11 119.83 1q3h h GLN 585 Ca 0.17 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 1q3h h GLN 585 Cb 0.37 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1q3h h GLN 585 CO 0.01 0.94 0.18 0.28 -0.67 0.00 0.00 178.83 179.56 1q3h h VAL 586 N 0.95 1.24 -0.63 -0.54 2.07 -0.97 0.28 116.25 118.65 1q3h h VAL 586 Ca 0.20 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 1q3h h VAL 586 Cb 0.38 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1q3h h VAL 586 CO 0.01 0.30 0.33 0.15 0.02 0.00 0.00 177.57 178.38 1q3h h PHE 587 N 0.78 0.88 0.14 1.57 3.04 -1.06 0.99 116.94 123.28 1q3h h PHE 587 Ca 0.18 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.10 1q3h h PHE 587 Cb 0.28 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1q3h h PHE 587 CO 0.02 0.64 -0.07 1.49 -2.02 0.00 0.00 178.31 178.37 1q3h h GLU 588 N 0.87 -0.18 -0.12 1.11 4.81 -1.13 -1.29 114.58 118.64 1q3h h GLU 588 Ca 0.22 0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.29 1q3h h GLU 588 Cb 0.07 0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.50 1q3h h GLU 588 CO -0.03 0.22 -0.59 0.77 -0.73 0.00 0.00 179.01 178.65 1q3h h SER 589 N -0.66 0.73 0.00 1.04 0.02 -0.38 -2.01 113.55 112.29 1q3h h SER 589 Ca -0.02 -0.64 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 1q3h h SER 589 Cb 0.49 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1q3h h SER 589 CO 0.03 1.24 -0.18 0.00 -1.14 0.00 0.00 176.83 176.79 1q3h h VAL 591 N -0.60 1.33 0.15 0.00 2.07 -1.43 0.07 116.25 117.84 1q3h h VAL 591 Ca 0.00 -1.46 -0.22 0.00 0.82 0.00 0.00 66.70 65.84 1q3h h VAL 591 Cb 0.18 1.82 0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1q3h h VAL 591 CO 0.00 0.45 -0.94 0.00 0.02 0.00 0.00 177.57 177.10 1q3h n LYS 593 N -4.04 0.16 -0.32 0.00 5.02 -0.76 -3.60 118.16 114.63 1q3h n LYS 593 Ca -0.14 0.15 0.15 0.00 -2.02 0.00 0.00 58.31 56.45 1q3h n LYS 593 Cb 0.87 -0.87 0.39 0.00 -0.02 0.00 0.00 35.03 35.39 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 -0.32 0.66 -3.56 -0.35 5.85 -0.81 -1.59 115.31 115.18 1q3h h LEU 594 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1q3h h LEU 594 Cb 0.27 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1q3h h LEU 594 CO 0.00 0.24 0.00 0.23 -0.34 0.00 0.00 178.44 178.57 1q3h n MET 595 N -4.67 4.88 -0.24 1.25 2.81 -0.01 -4.67 117.12 116.48 1q3h n MET 595 Ca 0.22 -3.17 0.17 0.00 -1.81 0.00 0.00 57.70 53.12 1q3h n MET 595 Cb 0.62 -2.26 0.48 0.00 -0.71 0.00 0.00 33.22 31.35 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 3.99 2.12 -0.02 3.04 0.00 -1.34 -1.15 119.26 125.89 1q3h h ALA 596 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1q3h h ALA 596 Cb 1.98 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1q3h h ALA 596 CO 0.49 -0.39 -0.17 0.09 0.00 0.00 0.00 179.25 179.26 1q3h n ASN 597 N -4.52 2.55 -4.70 0.00 3.02 -1.26 -4.76 115.26 105.59 1q3h n ASN 597 Ca 0.18 -1.78 -0.37 0.00 -0.03 0.00 0.00 54.58 52.58 1q3h n ASN 597 Cb 0.64 0.17 -0.07 0.00 -0.61 0.00 0.00 39.78 39.91 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 -2.18 4.23 0.14 3.52 -0.14 -0.44 -4.03 119.74 120.84 1q3h s LYS 598 Ca 0.25 0.19 -0.31 0.00 -1.36 0.00 0.00 55.97 54.74 1q3h s LYS 598 Cb 0.19 -3.48 -0.11 0.00 -1.68 0.00 0.00 37.83 32.76 1q3h s LYS 598 CO 0.40 0.10 1.83 2.41 -0.76 0.00 0.00 175.35 179.33 1q3h n THR 599 N 3.94 0.32 -3.78 2.17 -1.04 -1.26 -4.54 114.28 110.09 1q3h n THR 599 Ca -0.10 -0.06 -0.13 0.00 -2.04 0.00 0.00 64.05 61.73 1q3h n THR 599 Cb 0.51 -2.13 -0.12 0.00 -1.82 0.00 0.00 70.33 66.78 1q3h n THR 599 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1q3h s ARG 600 N 2.52 0.26 -0.20 -2.82 1.70 -0.74 -1.34 118.95 118.33 1q3h s ARG 600 Ca 0.81 0.36 -0.01 0.00 -0.47 0.00 0.00 55.73 56.42 1q3h s ARG 600 Cb -0.47 0.09 0.01 0.00 -0.57 0.00 0.00 34.95 34.01 1q3h s ARG 600 CO 0.36 -0.05 -0.14 0.42 -1.08 0.00 0.00 175.30 174.81 1q3h s ILE 601 N 0.31 2.56 -0.23 4.99 1.01 0.12 -0.72 121.20 129.25 1q3h s ILE 601 Ca -0.02 -0.77 -0.03 0.00 0.00 0.00 0.00 60.65 59.83 1q3h s ILE 601 Cb -0.03 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.32 1q3h s ILE 601 CO -0.01 0.50 -0.05 -0.22 0.00 0.00 0.00 174.94 175.15 1q3h s LEU 602 N 1.36 2.95 0.01 2.97 2.96 -0.10 0.61 118.68 129.44 1q3h s LEU 602 Ca 0.05 -0.52 -0.23 0.00 -0.22 0.00 0.00 54.13 53.22 1q3h s LEU 602 Cb -0.13 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 1q3h s LEU 602 CO -0.09 -0.05 0.70 -0.69 -1.32 0.00 0.00 176.35 174.89 1q3h s VAL 603 N 1.44 4.86 0.13 1.68 1.01 0.96 -0.75 120.40 129.72 1q3h s VAL 603 Ca 0.05 1.46 -0.24 0.00 0.00 0.00 0.00 61.98 63.25 1q3h s VAL 603 Cb -0.15 -4.04 0.07 0.00 0.00 0.00 0.00 36.38 32.27 1q3h s VAL 603 CO -0.04 0.36 0.66 0.28 0.00 0.00 0.00 175.10 176.36 1q3h s THR 604 N 0.08 0.00 -0.04 3.92 -1.32 -0.57 -1.61 115.64 116.10 1q3h s THR 604 Ca 0.36 -0.05 0.05 0.00 -1.21 0.00 0.00 61.69 60.84 1q3h s THR 604 Cb -0.19 -1.05 0.08 0.00 -1.51 0.00 0.00 72.50 69.82 1q3h s THR 604 CO 0.20 0.00 0.93 -1.54 -2.21 0.00 0.00 174.62 172.00 1q3h n SER 605 N -0.36 1.27 -4.79 8.08 3.41 -1.26 -4.27 113.62 115.70 1q3h n SER 605 Ca -0.15 -2.08 -0.36 0.00 -0.26 0.00 0.00 58.87 56.02 1q3h n SER 605 Cb 0.64 -0.16 -0.07 0.00 -0.26 0.00 0.00 64.21 64.37 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 -1.10 3.91 0.27 4.33 1.02 -1.26 -4.86 119.74 122.05 1q3h s LYS 606 Ca 0.09 -0.07 0.09 0.00 0.02 0.00 0.00 55.97 56.10 1q3h s LYS 606 Cb 0.08 -3.32 0.34 0.00 -0.52 0.00 0.00 37.83 34.40 1q3h s LYS 606 CO 0.01 0.49 1.60 0.52 -0.92 0.00 0.00 175.35 177.05 1q3h h MET 607 N 5.91 0.05 -0.57 1.68 2.86 -1.95 -2.59 114.93 120.31 1q3h h MET 607 Ca -0.47 -0.03 0.12 0.00 -2.06 0.00 0.00 59.70 57.25 1q3h h MET 607 Cb 1.19 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.82 1q3h h MET 607 CO 0.68 0.65 0.39 1.49 1.06 0.00 0.00 176.91 181.18 1q3h h GLU 608 N 0.03 0.25 0.00 1.72 4.57 -1.99 -1.04 114.58 118.13 1q3h h GLU 608 Ca -0.01 -0.02 -0.20 0.00 -1.18 0.00 0.00 59.36 57.96 1q3h h GLU 608 Cb 1.10 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.62 1q3h h GLU 608 CO 0.08 0.17 -0.88 0.45 -1.18 0.00 0.00 179.01 177.65 1q3h h HIS 609 N 0.26 0.26 -0.43 0.92 3.86 -1.88 -1.55 115.15 116.59 1q3h h HIS 609 Ca 0.27 -0.14 -0.13 0.00 -1.16 0.00 0.00 60.37 59.21 1q3h h HIS 609 Cb 0.70 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.13 1q3h h HIS 609 CO -0.00 0.96 -0.23 -0.07 0.86 0.00 0.00 177.93 179.45 1q3h h LEU 610 N 0.09 0.90 -0.51 2.43 4.07 -1.40 -2.51 115.31 118.38 1q3h h LEU 610 Ca -0.04 -0.34 -0.04 0.00 0.08 0.00 0.00 57.88 57.54 1q3h h LEU 610 Cb 1.51 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.98 1q3h h LEU 610 CO 0.13 1.10 0.15 -0.09 -1.08 0.00 0.00 178.44 178.65 1q3h h ARG 611 N 0.76 0.79 -0.01 1.13 2.43 -0.93 -2.72 114.38 115.84 1q3h h ARG 611 Ca 0.10 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1q3h h ARG 611 Cb 0.78 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1q3h h ARG 611 CO 0.06 0.74 -0.09 1.63 -1.51 0.00 0.00 179.97 180.81 1q3h n LYS 612 N -4.48 0.92 -2.53 0.20 4.76 -0.61 -4.90 118.16 111.51 1q3h n LYS 612 Ca 0.02 -0.36 -0.32 0.00 -2.87 0.00 0.00 58.31 54.78 1q3h n LYS 612 Cb 0.20 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.86 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 -2.33 3.12 0.02 7.82 0.00 -0.95 -4.99 121.76 124.45 1q3h s ALA 613 Ca 0.33 0.13 -0.13 0.00 0.00 0.00 0.00 51.96 52.29 1q3h s ALA 613 Cb 0.20 -3.04 -0.33 0.00 0.00 0.00 0.00 23.12 19.95 1q3h s ALA 613 CO 0.44 -0.15 0.93 -0.44 0.00 0.00 0.00 175.76 176.54 1q3h h ASP 614 N 1.10 0.72 -4.67 0.00 3.32 -1.69 -3.44 116.42 111.77 1q3h h ASP 614 Ca -0.47 -0.84 -0.24 0.00 0.02 0.00 0.00 57.03 55.49 1q3h h ASP 614 Cb 1.18 -0.23 -0.17 0.00 0.22 0.00 0.00 39.33 40.33 1q3h h ASP 614 CO 0.62 1.68 -0.71 -0.54 -1.72 0.00 0.00 179.24 178.56 1q3h s LYS 615 N -2.60 0.72 -0.04 3.56 -0.14 -1.04 -4.60 119.74 115.59 1q3h s LYS 615 Ca -0.10 -1.12 0.02 0.00 -1.36 0.00 0.00 55.97 53.41 1q3h s LYS 615 Cb 0.05 -0.24 0.02 0.00 -1.68 0.00 0.00 37.83 35.97 1q3h s LYS 615 CO 0.91 0.01 -0.07 0.42 -0.76 0.00 0.00 175.35 175.86 1q3h s ILE 616 N -2.77 0.69 -0.19 2.17 1.01 0.13 -1.23 121.20 121.01 1q3h s ILE 616 Ca 0.04 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.46 1q3h s ILE 616 Cb -0.01 -0.66 0.03 0.00 0.01 0.00 0.00 42.46 41.83 1q3h s ILE 616 CO -0.03 0.25 -0.15 -0.22 0.00 0.00 0.00 174.94 174.78 1q3h s LEU 617 N 0.69 2.24 -0.19 2.97 1.98 -0.20 -1.74 118.68 124.43 1q3h s LEU 617 Ca -0.11 -0.76 -0.05 0.00 -2.89 0.00 0.00 54.13 50.32 1q3h s LEU 617 Cb -0.13 -1.37 -0.03 0.00 0.66 0.00 0.00 46.19 45.32 1q3h s LEU 617 CO 0.01 -0.07 0.01 -0.63 -1.89 0.00 0.00 176.35 173.78 1q3h s ILE 618 N 1.33 4.08 -0.07 6.68 1.01 -0.07 -1.22 121.20 132.94 1q3h s ILE 618 Ca 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 1q3h s ILE 618 Cb -0.15 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 1q3h s ILE 618 CO -0.10 0.44 0.01 -0.76 0.00 0.00 0.00 174.94 174.53 1q3h s LEU 619 N 0.86 3.64 -0.13 2.97 1.02 0.58 -0.09 118.68 127.53 1q3h s LEU 619 Ca 0.01 0.15 -0.05 0.00 0.02 0.00 0.00 54.13 54.26 1q3h s LEU 619 Cb -0.14 -1.88 0.07 0.00 0.02 0.00 0.00 46.19 44.26 1q3h s LEU 619 CO 0.02 0.36 0.26 -2.28 0.02 0.00 0.00 176.35 174.74 1q3h s HIS 620 N -0.93 -0.42 -1.39 0.29 2.46 -0.19 -2.10 115.29 113.01 1q3h s HIS 620 Ca 0.15 0.93 -0.09 0.00 0.47 0.00 0.00 55.06 56.52 1q3h s HIS 620 Cb -0.11 -0.05 0.03 0.00 -0.13 0.00 0.00 32.58 32.32 1q3h s HIS 620 CO 0.04 -0.37 1.05 0.94 -2.47 0.00 0.00 174.74 173.93 1q3h n GLN 621 N 5.35 -6.76 -0.53 2.88 -0.06 -1.26 -2.12 117.38 114.88 1q3h n GLN 621 Ca -0.06 0.74 0.00 0.00 -2.00 0.00 0.00 57.00 55.68 1q3h n GLN 621 Cb 0.50 -5.69 0.00 0.00 -4.06 0.00 0.00 30.24 20.98 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 -1.76 0.99 3.28 1.69 0.00 -0.52 -5.00 105.19 103.86 1q3h n GLY 622 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 1q3h n GLY 622 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1q3h s SER 623 N -3.04 2.37 -0.51 1.61 0.15 -0.90 -1.25 113.70 112.12 1q3h s SER 623 Ca 0.00 -0.78 -0.28 0.00 0.70 0.00 0.00 55.95 55.59 1q3h s SER 623 Cb 0.00 -0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.21 1q3h s SER 623 CO 0.00 -0.04 1.32 -0.55 1.20 0.00 0.00 173.24 175.16 1q3h s SER 624 N -2.33 6.34 0.17 5.45 0.15 -1.26 -1.02 113.70 121.20 1q3h s SER 624 Ca 0.10 0.43 -0.06 0.00 0.70 0.00 0.00 55.95 57.12 1q3h s SER 624 Cb -0.07 -2.55 0.04 0.00 -1.71 0.00 0.00 66.02 61.73 1q3h s SER 624 CO 0.05 -1.51 1.47 0.22 1.20 0.00 0.00 173.24 174.67 1q3h h TYR 625 N 10.33 0.84 -2.10 3.44 5.03 -0.82 -3.46 116.97 130.23 1q3h h TYR 625 Ca -0.26 -0.30 -0.05 0.00 2.58 0.00 0.00 58.73 60.70 1q3h h TYR 625 Cb 1.08 -0.16 -0.21 0.00 1.55 0.00 0.00 36.73 38.99 1q3h h TYR 625 CO 1.01 1.07 0.09 0.12 -1.32 0.00 0.00 178.16 179.13 1q3h s PHE 626 N -4.03 -0.73 -0.02 -3.82 2.19 -1.13 -4.99 117.98 105.46 1q3h s PHE 626 Ca -0.08 1.72 0.01 0.00 0.33 0.00 0.00 56.93 58.90 1q3h s PHE 626 Cb 0.11 0.27 0.01 0.00 -1.31 0.00 0.00 43.02 42.10 1q3h s PHE 626 CO 0.86 -0.39 -0.01 -0.47 1.83 0.00 0.00 175.22 177.04 1q3h s TYR 627 N 0.16 0.26 -5.00 10.12 5.04 -1.26 -0.89 117.35 125.78 1q3h s TYR 627 Ca -0.01 -0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.60 1q3h s TYR 627 Cb -0.04 -0.28 0.00 0.00 0.35 0.00 0.00 41.96 41.99 1q3h s TYR 627 CO 0.02 -0.07 0.00 0.41 -1.34 0.00 0.00 175.55 174.57 1q3h n GLY 628 N 3.64 0.15 3.96 8.97 0.00 -0.71 -4.98 105.19 116.21 1q3h n GLY 628 Ca -0.21 -1.47 -0.22 0.00 0.00 0.00 0.00 46.02 44.12 1q3h n GLY 628 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q3h s THR 629 N -2.97 3.90 0.34 2.61 -4.23 -1.26 0.22 115.64 114.24 1q3h s THR 629 Ca 0.00 -0.58 0.02 0.00 -1.18 0.00 0.00 61.69 59.95 1q3h s THR 629 Cb 0.00 -3.43 0.27 0.00 1.34 0.00 0.00 72.50 70.68 1q3h s THR 629 CO 0.00 -0.28 1.99 0.15 -0.54 0.00 0.00 174.62 175.94 1q3h h PHE 630 N 0.44 0.86 -0.13 3.99 3.57 -1.84 0.03 116.94 123.86 1q3h h PHE 630 Ca -0.46 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.05 1q3h h PHE 630 Cb 1.26 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.70 1q3h h PHE 630 CO 0.44 0.53 0.02 1.03 -2.23 0.00 0.00 178.31 178.10 1q3h h SER 631 N 0.91 0.21 -0.19 0.41 0.87 -1.95 -2.22 113.55 111.60 1q3h h SER 631 Ca 0.26 -0.26 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 1q3h h SER 631 Cb -0.05 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1q3h h SER 631 CO -0.06 0.42 0.15 -0.33 -0.53 0.00 0.00 176.83 176.47 1q3h h GLU 632 N -0.02 0.00 -0.24 2.24 5.08 -1.70 -1.95 114.58 117.99 1q3h h GLU 632 Ca 0.04 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.22 1q3h h GLU 632 Cb 0.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1q3h h GLU 632 CO 0.00 0.00 -0.58 1.25 -1.00 0.00 0.00 179.01 178.69 1q3h h LEU 633 N 0.00 0.87 -1.00 1.33 5.85 -0.55 -0.09 115.31 121.73 1q3h h LEU 633 Ca 0.09 -0.48 -0.05 0.00 0.84 0.00 0.00 57.88 58.28 1q3h h LEU 633 Cb 0.38 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1q3h h LEU 633 CO -0.00 1.26 -0.23 1.56 -0.34 0.00 0.00 178.44 180.68 1q3h h GLN 634 N 0.59 0.00 0.00 1.25 4.20 -0.78 -1.23 115.11 119.14 1q3h h GLN 634 Ca 0.00 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.47 1q3h h GLN 634 Cb 1.17 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.91 1q3h h GLN 634 CO 0.12 0.23 -2.09 -1.13 -0.67 0.00 0.00 178.83 175.29 1q3h n SER 635 N -3.36 0.81 0.02 1.46 3.41 -1.05 -4.08 113.62 110.84 1q3h n SER 635 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 1q3h n SER 635 Cb 0.45 1.13 -0.08 0.00 -0.26 0.00 0.00 64.21 65.45 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 -2.52 0.48 -3.04 1.04 4.77 -0.05 -4.46 117.00 113.22 1q3h n LEU 636 Ca -0.22 -0.07 -0.20 0.00 -0.03 0.00 0.00 56.01 55.50 1q3h n LEU 636 Cb 0.92 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.95 1q3h n LEU 636 CO 0.37 0.04 -0.10 0.54 -1.33 0.00 0.00 177.39 176.90 1q3h n ARG 637 N -2.06 1.67 0.27 3.23 5.12 -0.46 -4.96 116.66 119.47 1q3h n ARG 637 Ca -0.00 -3.79 0.16 0.00 -1.93 0.00 0.00 57.85 52.29 1q3h n ARG 637 Cb 0.48 -1.82 0.74 0.00 -1.16 0.00 0.00 32.46 30.70 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 2.98 0.00 0.01 5.56 0.13 -1.71 -1.00 132.00 137.97 1q3h h PRO 638 Ca 0.09 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1q3h h PRO 638 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1q3h h PRO 638 CO 0.60 0.07 -0.00 -0.44 -0.23 0.00 0.00 178.00 177.99 1q3h h ASP 639 N 0.00 -0.01 -0.33 1.44 3.45 -1.92 -1.87 116.42 117.18 1q3h h ASP 639 Ca -0.00 -0.73 0.03 0.00 0.43 0.00 0.00 57.03 56.76 1q3h h ASP 639 Cb 0.43 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.18 1q3h h ASP 639 CO 0.01 0.74 0.14 0.15 -1.57 0.00 0.00 179.24 178.70 1q3h h PHE 640 N -0.77 0.25 -0.43 4.55 3.04 -1.84 -2.29 116.94 119.44 1q3h h PHE 640 Ca -0.00 0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.97 1q3h h PHE 640 Cb 0.74 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.16 1q3h h PHE 640 CO 0.19 0.12 0.27 0.77 -2.02 0.00 0.00 178.31 177.64 1q3h h SER 641 N 0.29 0.45 -0.77 0.41 0.02 -1.27 -2.55 113.55 110.13 1q3h h SER 641 Ca 0.14 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 1q3h h SER 641 Cb 0.09 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1q3h h SER 641 CO -0.13 0.33 0.29 -1.28 -1.14 0.00 0.00 176.83 174.90 1q3h h SER 642 N 0.55 1.09 -0.53 3.07 0.87 -1.18 -1.21 113.55 116.20 1q3h h SER 642 Ca 0.16 -0.18 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 1q3h h SER 642 Cb -0.03 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.62 1q3h h SER 642 CO -0.05 0.98 0.08 0.50 -0.53 0.00 0.00 176.83 177.80 1q3h h LYS 643 N 1.13 0.89 0.00 2.24 1.63 -1.20 -2.50 116.57 118.76 1q3h h LYS 643 Ca 0.26 -0.24 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1q3h h LYS 643 Cb 0.25 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 1q3h h LYS 643 CO -0.02 0.87 -0.58 1.28 -3.45 0.00 0.00 179.45 177.55 1q3h n LEU 644 N -4.36 0.65 0.04 5.20 4.32 -0.98 -3.25 117.00 118.62 1q3h n LEU 644 Ca 0.02 0.20 0.11 0.00 -0.02 0.00 0.00 56.01 56.33 1q3h n LEU 644 Cb 0.27 -0.20 0.04 0.00 -1.62 0.00 0.00 43.42 41.91 1q3h n LEU 644 CO 0.41 -0.03 0.05 0.23 -1.22 0.00 0.00 177.39 176.83 1q3h n MET 645 N -2.00 0.34 -0.13 3.23 2.81 -0.48 -4.24 117.12 116.64 1q3h n MET 645 Ca 0.04 0.02 -0.04 0.00 -1.81 0.00 0.00 57.70 55.91 1q3h n MET 645 Cb 0.42 -1.63 0.02 0.00 -0.71 0.00 0.00 33.22 31.32 1q3h n MET 645 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1q3h h GLY 646 N 4.46 0.27 -2.86 3.03 0.00 -1.42 -3.42 103.07 103.13 1q3h h GLY 646 Ca 0.00 0.17 -0.54 0.00 0.00 0.00 0.00 47.33 46.96 1q3h h GLY 646 CO 0.00 -0.18 0.59 -0.19 0.00 0.00 0.00 176.54 176.76 1q3h s TYR 647 N -6.21 2.47 -0.00 5.60 1.51 -1.26 -4.95 117.35 114.51 1q3h s TYR 647 Ca -0.14 1.40 0.08 0.00 -1.01 0.00 0.00 57.07 57.41 1q3h s TYR 647 Cb 0.15 -3.70 -0.23 0.00 -0.11 0.00 0.00 41.96 38.07 1q3h s TYR 647 CO 0.71 -2.53 0.82 -0.44 -1.11 0.00 0.00 175.55 173.00 1q3h h ASP 648 N 1.75 0.07 -0.87 2.29 3.32 -1.94 -3.39 116.42 117.65 1q3h h ASP 648 Ca -0.50 -0.12 -0.38 0.00 0.02 0.00 0.00 57.03 56.04 1q3h h ASP 648 Cb 1.28 -0.02 -0.41 0.00 0.22 0.00 0.00 39.33 40.40 1q3h h ASP 648 CO 0.59 1.11 -1.06 0.35 -1.72 0.00 0.00 179.24 178.50 1q3h n THR 649 N -3.19 1.46 -0.25 0.35 -2.24 -1.26 -4.90 114.28 104.25 1q3h n THR 649 Ca -0.14 -3.42 0.05 0.00 -2.27 0.00 0.00 64.05 58.27 1q3h n THR 649 Cb 1.02 0.38 0.18 0.00 -2.10 0.00 0.00 70.33 69.81 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 2.72 0.40 0.00 4.78 3.57 -1.91 -0.80 116.94 125.70 1q3h h PHE 650 Ca -0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1q3h h PHE 650 Cb 1.21 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1q3h h PHE 650 CO 0.59 0.00 0.00 -0.25 -2.23 0.00 0.00 178.31 176.42 1q3h n ASP 651 N -5.07 0.00 -0.74 0.41 9.92 -1.26 -1.49 116.55 118.32 1q3h n ASP 651 Ca 0.14 0.41 0.08 0.00 -0.53 0.00 0.00 54.79 54.89 1q3h n ASP 651 Cb 0.42 -0.45 0.11 0.00 -0.64 0.00 0.00 41.12 40.56 1q3h n ASP 651 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1q3h n GLN 652 N -1.45 1.69 -0.82 -1.24 6.02 -0.31 -4.95 117.38 116.32 1q3h n GLN 652 Ca 0.03 -1.70 -0.29 0.00 -0.01 0.00 0.00 57.00 55.03 1q3h n GLN 652 Cb 0.11 -1.34 0.20 0.00 1.02 0.00 0.00 30.24 30.22 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 -1.31 1.74 0.79 1.08 2.99 -0.56 -5.01 117.98 117.71 1q3h s PHE 653 Ca 0.23 1.30 -0.11 0.00 0.00 0.00 0.00 56.93 58.35 1q3h s PHE 653 Cb 0.15 -3.18 0.07 0.00 0.00 0.00 0.00 43.02 40.06 1q3h s PHE 653 CO 0.22 -3.16 1.11 0.95 -0.00 0.00 0.00 175.22 174.34 1q3h s THR 654 N -2.68 2.97 0.42 0.64 -4.23 -1.26 -4.79 115.64 106.70 1q3h s THR 654 Ca 0.66 0.34 0.12 0.00 -1.18 0.00 0.00 61.69 61.63 1q3h s THR 654 Cb -0.22 -2.73 0.31 0.00 1.34 0.00 0.00 72.50 71.20 1q3h s THR 654 CO 0.60 -0.38 1.98 -0.08 -0.54 0.00 0.00 174.62 176.21 1q3h h GLU 655 N -1.08 0.47 -0.32 3.99 4.22 -1.89 -0.96 114.58 119.02 1q3h h GLU 655 Ca -0.44 -0.03 -0.05 0.00 0.08 0.00 0.00 59.36 58.92 1q3h h GLU 655 Cb 1.25 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1q3h h GLU 655 CO 0.49 0.31 0.02 1.49 -2.18 0.00 0.00 179.01 179.15 1q3h h GLU 656 N 0.49 0.55 -0.43 1.92 4.81 -1.91 -1.62 114.58 118.37 1q3h h GLU 656 Ca 0.27 -0.16 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 1q3h h GLU 656 Cb 0.42 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1q3h h GLU 656 CO -0.08 0.67 -0.25 -0.09 -0.73 0.00 0.00 179.01 178.53 1q3h h ARG 657 N 0.36 0.93 -0.17 1.92 9.65 -1.76 -1.67 114.38 123.65 1q3h h ARG 657 Ca 0.09 -0.43 -0.00 0.00 -1.10 0.00 0.00 59.98 58.55 1q3h h ARG 657 Cb 0.41 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.96 1q3h h ARG 657 CO 0.01 1.09 0.10 0.00 2.80 0.00 0.00 179.97 183.97 1q3h h ARG 658 N 0.77 0.23 0.00 0.20 3.08 -1.16 -0.73 114.38 116.77 1q3h h ARG 658 Ca 0.09 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 1q3h h ARG 658 Cb 0.83 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1q3h h ARG 658 CO 0.07 0.20 -0.32 0.77 -1.07 0.00 0.00 179.97 179.63 1q3h h SER 659 N 0.19 0.00 -0.17 7.04 0.02 -1.27 -1.11 113.55 118.24 1q3h h SER 659 Ca 0.06 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1q3h h SER 659 Cb 0.04 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 1q3h h SER 659 CO -0.01 0.32 -0.13 -1.28 -1.14 0.00 0.00 176.83 174.58 1q3h h SER 660 N 0.00 0.41 -0.59 3.07 0.87 -0.88 -0.68 113.55 115.75 1q3h h SER 660 Ca -0.00 -0.46 -0.09 0.00 -1.23 0.00 0.00 61.79 60.01 1q3h h SER 660 Cb 0.56 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 1q3h h SER 660 CO 0.04 0.78 0.01 0.40 -0.53 0.00 0.00 176.83 177.54 1q3h h ILE 661 N 0.05 1.26 -0.78 2.23 2.04 -0.90 -1.20 117.51 120.22 1q3h h ILE 661 Ca 0.03 -1.12 -0.04 0.00 1.00 0.00 0.00 64.86 64.74 1q3h h ILE 661 Cb 0.65 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 1q3h h ILE 661 CO 0.04 0.41 0.35 -0.07 0.00 0.00 0.00 178.15 178.87 1q3h h LEU 662 N 0.92 1.04 -0.47 1.44 3.38 -1.16 -1.76 115.31 118.70 1q3h h LEU 662 Ca 0.17 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1q3h h LEU 662 Cb 0.53 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1q3h h LEU 662 CO 0.03 0.90 -0.17 0.74 0.09 0.00 0.00 178.44 180.03 1q3h h THR 663 N 1.12 1.27 -0.02 0.22 2.02 -0.66 -1.78 112.91 115.09 1q3h h THR 663 Ca 0.27 -1.31 -0.14 0.00 0.77 0.00 0.00 66.41 65.99 1q3h h THR 663 Cb 0.16 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1q3h h THR 663 CO -0.03 0.45 -0.65 -0.33 0.37 0.00 0.00 175.52 175.33 1q3h h GLU 664 N 0.78 0.09 -0.05 6.66 3.07 -1.14 -2.03 114.58 121.96 1q3h h GLU 664 Ca 0.11 -0.07 -0.20 0.00 -0.50 0.00 0.00 59.36 58.70 1q3h h GLU 664 Cb 0.73 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.65 1q3h h GLU 664 CO 0.06 0.71 -0.82 1.15 -1.40 0.00 0.00 179.01 178.71 1q3h h THR 665 N 0.06 1.39 -0.10 1.13 2.02 -1.19 -2.08 112.91 114.13 1q3h h THR 665 Ca -0.01 -2.27 -0.23 0.00 0.77 0.00 0.00 66.41 64.67 1q3h h THR 665 Cb 1.16 2.24 0.01 0.00 -1.74 0.00 0.00 68.15 69.82 1q3h h THR 665 CO 0.09 0.68 -0.84 -0.07 0.37 0.00 0.00 175.52 175.75 1q3h h LEU 666 N 0.26 0.85 -0.79 2.58 4.07 -1.27 -1.67 115.31 119.35 1q3h h LEU 666 Ca -0.05 -0.59 -0.03 0.00 0.08 0.00 0.00 57.88 57.29 1q3h h LEU 666 Cb 1.42 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 42.87 1q3h h LEU 666 CO 0.14 1.39 0.38 0.03 -1.08 0.00 0.00 178.44 179.30 1q3h h ARG 667 N 0.46 1.13 -0.11 1.13 3.08 -1.42 -2.76 114.38 115.89 1q3h h ARG 667 Ca -0.07 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 1q3h h ARG 667 Cb 1.47 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 1q3h h ARG 667 CO 0.17 0.88 0.04 -0.09 -1.07 0.00 0.00 179.97 179.89 1q3h h ARG 668 N 1.11 0.16 -0.97 0.04 2.43 -1.22 -3.12 114.38 112.81 1q3h h ARG 668 Ca 0.27 -0.03 -0.64 0.00 -0.81 0.00 0.00 59.98 58.77 1q3h h ARG 668 Cb 0.11 -0.03 -0.30 0.00 -0.42 0.00 0.00 29.97 29.34 1q3h h ARG 668 CO -0.03 0.28 0.74 1.19 -1.51 0.00 0.00 179.97 180.63 1q3h n PHE 669 N -4.91 3.15 -0.72 2.20 3.72 -0.64 -5.10 117.46 115.16 1q3h n PHE 669 Ca -0.06 -2.78 0.00 0.00 -0.05 0.00 0.00 57.45 54.56 1q3h n PHE 669 Cb 0.12 -1.30 0.00 0.00 -0.94 0.00 0.00 39.48 37.36 1q3h n PHE 669 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58