#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmj s VAL 392 N 0.00 1.19 -0.11 6.31 1.01 -0.84 -4.76 120.40 123.20 1xmj s VAL 392 Ca 0.00 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1xmj s VAL 392 Cb 0.00 -1.11 -0.00 0.00 0.00 0.00 0.00 36.38 35.26 1xmj s VAL 392 CO 0.00 0.38 -0.22 -0.69 0.00 0.00 0.00 175.10 174.57 1xmj s VAL 393 N 1.01 2.26 -0.15 2.92 1.01 -1.15 -0.88 120.40 125.41 1xmj s VAL 393 Ca -0.08 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 60.96 1xmj s VAL 393 Cb -0.15 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.37 1xmj s VAL 393 CO -0.01 0.55 -0.16 -0.32 0.00 0.00 0.00 175.10 175.17 1xmj s MET 394 N 0.34 2.47 -0.17 2.72 1.75 0.43 -1.88 119.30 124.96 1xmj s MET 394 Ca -0.17 -0.63 -0.00 0.00 -1.25 0.00 0.00 55.69 53.64 1xmj s MET 394 Cb -0.18 -2.21 0.04 0.00 2.84 0.00 0.00 34.83 35.32 1xmj s MET 394 CO 0.08 -0.22 -0.06 -1.21 -0.65 0.00 0.00 175.02 172.96 1xmj s GLU 395 N 1.41 1.57 -1.48 4.11 2.02 -1.18 -1.21 118.70 123.93 1xmj s GLU 395 Ca 0.04 -0.58 -0.01 0.00 0.02 0.00 0.00 54.97 54.45 1xmj s GLU 395 Cb -0.13 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.01 1xmj s GLU 395 CO -0.11 -0.43 0.20 -1.71 0.02 0.00 0.00 175.26 173.23 1xmj n ASN 396 N 4.84 0.31 -4.80 -0.19 4.05 -0.91 -2.79 115.26 115.77 1xmj n ASN 396 Ca -0.13 -1.16 -0.38 0.00 0.45 0.00 0.00 54.58 53.36 1xmj n ASN 396 Cb 0.48 -2.26 -0.06 0.00 1.23 0.00 0.00 39.78 39.17 1xmj n ASN 396 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1xmj s VAL 397 N -4.18 4.89 0.03 3.44 1.01 -0.60 -3.16 120.40 121.82 1xmj s VAL 397 Ca 0.01 1.12 -0.01 0.00 0.00 0.00 0.00 61.98 63.10 1xmj s VAL 397 Cb -0.00 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1xmj s VAL 397 CO 0.95 0.50 -0.02 -0.89 0.00 0.00 0.00 175.10 175.64 1xmj s THR 398 N -0.71 0.14 -0.12 3.92 2.01 -0.17 -0.51 115.64 120.21 1xmj s THR 398 Ca 0.28 -1.18 -0.30 0.00 0.31 0.00 0.00 61.69 60.80 1xmj s THR 398 Cb -0.18 -0.66 0.11 0.00 0.01 0.00 0.00 72.50 71.78 1xmj s THR 398 CO 0.16 -0.65 0.93 0.00 -0.69 0.00 0.00 174.62 174.37 1xmj s ALA 399 N -2.24 -1.89 0.03 7.40 0.00 -0.35 -0.51 121.76 124.20 1xmj s ALA 399 Ca -0.09 1.47 0.01 0.00 0.00 0.00 0.00 51.96 53.35 1xmj s ALA 399 Cb -0.04 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 1xmj s ALA 399 CO -0.04 -0.37 -0.05 -0.59 0.00 0.00 0.00 175.76 174.72 1xmj s PHE 400 N -1.37 0.43 0.95 0.00 -0.71 -1.26 -0.85 117.98 115.17 1xmj s PHE 400 Ca -0.02 -0.54 -0.14 0.00 -1.04 0.00 0.00 56.93 55.19 1xmj s PHE 400 Cb -0.00 -0.28 0.17 0.00 -1.21 0.00 0.00 43.02 41.69 1xmj s PHE 400 CO 0.02 -0.15 1.16 -1.58 -1.34 0.00 0.00 175.22 173.33 1xmj s TRP 401 N -1.53 2.12 0.00 3.49 0.52 -1.26 -4.90 118.94 117.38 1xmj s TRP 401 Ca -0.13 0.72 0.00 0.00 0.02 0.00 0.00 56.10 56.72 1xmj s TRP 401 Cb -0.09 -3.51 0.00 0.00 -1.15 0.00 0.00 33.47 28.72 1xmj s TRP 401 CO -0.01 -2.59 0.00 0.39 0.02 0.00 0.00 176.95 174.76 1xmj n GLU 402 N -3.88 0.00 0.00 4.98 1.02 -1.26 -5.08 120.64 116.42 1xmj n GLU 402 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1xmj n GLU 402 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.01 1xmj n GLU 402 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1xmj n THR 438 N 0.00 0.00 -3.23 2.62 -1.04 -1.26 -5.10 114.28 106.27 1xmj n THR 438 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 1xmj n THR 438 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 1xmj n THR 438 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1xmj s PRO 439 N 0.00 4.13 0.27 -2.82 0.04 -1.26 -4.94 135.00 130.42 1xmj s PRO 439 Ca 0.00 0.69 0.03 0.00 0.04 0.00 0.00 61.00 61.76 1xmj s PRO 439 Cb 0.00 -2.96 0.36 0.00 0.04 0.00 0.00 34.50 31.94 1xmj s PRO 439 CO 0.00 0.47 1.67 -0.24 0.04 0.00 0.00 177.00 178.93 1xmj h VAL 440 N 2.88 1.30 -3.96 -0.36 3.04 -1.36 -3.44 116.25 114.35 1xmj h VAL 440 Ca -0.48 -1.48 -0.32 0.00 -1.01 0.00 0.00 66.70 63.41 1xmj h VAL 440 Cb 1.20 1.56 -0.22 0.00 -2.01 0.00 0.00 31.29 31.82 1xmj h VAL 440 CO 0.65 0.46 -0.75 -0.76 -1.01 0.00 0.00 177.57 176.16 1xmj s LEU 441 N -8.44 2.25 -0.16 3.16 1.43 -0.94 -3.75 118.68 112.23 1xmj s LEU 441 Ca -0.06 -0.54 -0.06 0.00 -1.03 0.00 0.00 54.13 52.44 1xmj s LEU 441 Cb 0.13 -0.27 0.07 0.00 0.03 0.00 0.00 46.19 46.15 1xmj s LEU 441 CO 0.79 -0.15 0.34 -0.75 0.23 0.00 0.00 176.35 176.82 1xmj s LYS 442 N -1.53 0.25 -1.47 1.70 2.20 -0.32 -1.20 119.74 119.36 1xmj s LYS 442 Ca -0.07 0.86 -0.05 0.00 -0.36 0.00 0.00 55.97 56.35 1xmj s LYS 442 Cb -0.10 0.12 0.01 0.00 -1.51 0.00 0.00 37.83 36.35 1xmj s LYS 442 CO 0.01 -0.25 0.60 -3.47 -0.36 0.00 0.00 175.35 171.88 1xmj n ASP 443 N 5.18 -5.94 -4.70 1.43 4.64 0.34 -4.40 116.55 113.10 1xmj n ASP 443 Ca -0.10 -0.28 -0.42 0.00 -1.38 0.00 0.00 54.79 52.60 1xmj n ASP 443 Cb 0.50 -4.75 -0.03 0.00 -1.04 0.00 0.00 41.12 35.81 1xmj n ASP 443 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1xmj s ILE 444 N -3.16 3.91 -0.13 5.18 -1.09 0.33 -4.63 121.20 121.61 1xmj s ILE 444 Ca 0.30 1.32 -0.03 0.00 -2.23 0.00 0.00 60.65 60.01 1xmj s ILE 444 Cb -0.13 -3.85 0.05 0.00 -1.58 0.00 0.00 42.46 36.95 1xmj s ILE 444 CO 0.37 0.04 0.06 0.20 -1.23 0.00 0.00 174.94 174.39 1xmj s ASN 445 N 1.42 2.01 -0.01 3.58 0.01 -1.26 -1.56 114.94 119.14 1xmj s ASN 445 Ca 0.60 -0.39 -0.28 0.00 -0.71 0.00 0.00 52.86 52.08 1xmj s ASN 445 Cb -0.30 -0.30 0.09 0.00 0.41 0.00 0.00 41.25 41.16 1xmj s ASN 445 CO 0.27 -0.29 0.81 0.72 -1.51 0.00 0.00 177.10 177.09 1xmj s PHE 446 N 2.08 -0.44 -0.08 2.20 -0.12 -0.35 -5.00 117.98 116.26 1xmj s PHE 446 Ca 0.03 0.46 -0.00 0.00 -0.05 0.00 0.00 56.93 57.37 1xmj s PHE 446 Cb -0.15 0.51 0.02 0.00 -0.63 0.00 0.00 43.02 42.77 1xmj s PHE 446 CO -0.07 -0.58 -0.05 0.21 -0.05 0.00 0.00 175.22 174.68 1xmj s LYS 447 N -2.57 1.10 -0.17 1.99 2.20 -1.26 -0.43 119.74 120.60 1xmj s LYS 447 Ca 0.00 -0.11 -0.02 0.00 -0.36 0.00 0.00 55.97 55.49 1xmj s LYS 447 Cb -0.01 -1.23 -0.01 0.00 -1.51 0.00 0.00 37.83 35.07 1xmj s LYS 447 CO -0.05 -0.23 -0.10 -1.50 -0.36 0.00 0.00 175.35 173.11 1xmj s ILE 448 N 1.61 3.11 0.83 5.43 1.10 -0.06 -5.01 121.20 128.20 1xmj s ILE 448 Ca 0.01 -0.61 -0.12 0.00 -0.51 0.00 0.00 60.65 59.42 1xmj s ILE 448 Cb -0.13 -2.35 0.10 0.00 0.15 0.00 0.00 42.46 40.23 1xmj s ILE 448 CO -0.05 0.49 1.19 -1.61 -2.11 0.00 0.00 174.94 172.85 1xmj s GLU 449 N 0.83 1.78 0.18 3.50 8.01 -1.26 -1.99 118.70 129.75 1xmj s GLU 449 Ca -0.03 0.01 -0.31 0.00 0.01 0.00 0.00 54.97 54.65 1xmj s GLU 449 Cb -0.15 -1.95 -0.10 0.00 -4.31 0.00 0.00 34.13 27.62 1xmj s GLU 449 CO 0.01 -1.70 1.56 -0.98 0.01 0.00 0.00 175.26 174.16 1xmj s ARG 450 N -5.61 4.21 -0.66 1.61 3.03 -1.26 -2.49 118.95 117.78 1xmj s ARG 450 Ca 0.64 2.37 0.00 0.00 2.03 0.00 0.00 55.73 60.77 1xmj s ARG 450 Cb -0.10 -3.15 0.00 0.00 -1.03 0.00 0.00 34.95 30.68 1xmj s ARG 450 CO 0.49 -0.60 0.00 0.41 -1.13 0.00 0.00 175.30 174.48 1xmj n GLY 451 N 3.60 0.86 3.95 3.88 0.00 -1.25 -4.94 105.19 111.29 1xmj n GLY 451 Ca 0.13 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 1xmj n GLY 451 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xmj s GLN 452 N -2.51 3.46 -0.33 1.61 -0.21 -1.04 -4.57 119.66 116.07 1xmj s GLN 452 Ca 0.00 -0.58 -0.07 0.00 0.02 0.00 0.00 55.36 54.73 1xmj s GLN 452 Cb 0.00 -2.91 0.03 0.00 1.00 0.00 0.00 33.01 31.13 1xmj s GLN 452 CO 0.00 0.46 0.12 -1.17 -2.12 0.00 0.00 175.29 172.58 1xmj s LEU 453 N -3.47 4.28 -0.49 2.90 2.96 -1.26 -2.25 118.68 121.34 1xmj s LEU 453 Ca 0.35 -1.01 -0.22 0.00 -0.22 0.00 0.00 54.13 53.03 1xmj s LEU 453 Cb -0.10 -1.90 0.04 0.00 0.50 0.00 0.00 46.19 44.72 1xmj s LEU 453 CO 0.29 -0.31 0.75 -0.22 -1.32 0.00 0.00 176.35 175.55 1xmj s LEU 454 N 1.45 4.45 -0.27 -0.68 0.20 -0.75 -1.63 118.68 121.46 1xmj s LEU 454 Ca -0.00 -0.44 -0.24 0.00 0.69 0.00 0.00 54.13 54.14 1xmj s LEU 454 Cb -0.19 -2.74 -0.00 0.00 -0.43 0.00 0.00 46.19 42.83 1xmj s LEU 454 CO 0.03 -0.97 0.81 0.00 -0.29 0.00 0.00 176.35 175.94 1xmj s ALA 455 N 3.19 3.61 -0.25 5.97 0.00 -0.78 -0.61 121.76 132.89 1xmj s ALA 455 Ca 0.24 -0.24 -0.10 0.00 0.00 0.00 0.00 51.96 51.86 1xmj s ALA 455 Cb -0.14 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 1xmj s ALA 455 CO 0.18 -1.02 0.14 0.08 0.00 0.00 0.00 175.76 175.14 1xmj s VAL 456 N 2.88 5.11 0.13 0.00 1.01 0.11 -1.32 120.40 128.32 1xmj s VAL 456 Ca 0.34 0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.47 1xmj s VAL 456 Cb -0.15 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1xmj s VAL 456 CO 0.09 0.33 -0.14 0.00 0.00 0.00 0.00 175.10 175.38 1xmj s ALA 457 N 1.26 1.58 0.00 5.51 0.00 -0.38 -1.30 121.76 128.43 1xmj s ALA 457 Ca 0.07 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1xmj s ALA 457 Cb -0.14 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1xmj s ALA 457 CO 0.06 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.33 1xmj n GLY 458 N 0.42 -1.43 3.77 0.00 0.00 -1.26 -1.06 105.19 105.64 1xmj n GLY 458 Ca -0.15 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.57 1xmj n GLY 458 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xmj s SER 459 N -2.84 4.42 0.22 1.61 1.04 -1.07 -4.86 113.70 112.22 1xmj s SER 459 Ca 0.00 1.67 -0.31 0.00 0.48 0.00 0.00 55.95 57.80 1xmj s SER 459 Cb 0.00 -2.40 -0.10 0.00 0.10 0.00 0.00 66.02 63.61 1xmj s SER 459 CO 0.00 -2.07 1.55 0.28 0.98 0.00 0.00 173.24 173.98 1xmj s THR 460 N -2.95 2.48 -0.03 2.02 -1.32 -1.26 -1.79 115.64 112.79 1xmj s THR 460 Ca 0.61 0.37 0.00 0.00 -1.21 0.00 0.00 61.69 61.46 1xmj s THR 460 Cb -0.17 -3.24 0.00 0.00 -1.51 0.00 0.00 72.50 67.59 1xmj s THR 460 CO 0.56 0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.62 1xmj n GLY 461 N 3.03 0.47 0.06 6.08 0.00 -1.26 -4.93 105.19 108.63 1xmj n GLY 461 Ca 0.11 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 45.89 1xmj n GLY 461 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmj n ALA 462 N 1.01 2.19 0.00 4.61 0.00 -0.74 -4.69 120.51 122.89 1xmj n ALA 462 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1xmj n ALA 462 Cb 0.02 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.03 1xmj n ALA 462 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xmj n GLY 463 N 1.15 1.23 0.15 0.00 0.00 -1.26 -1.52 105.19 104.94 1xmj n GLY 463 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1xmj n GLY 463 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xmj h LYS 464 N 1.66 -0.27 -0.72 1.61 1.57 -1.90 0.16 116.57 118.69 1xmj h LYS 464 Ca 0.00 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1xmj h LYS 464 Cb 0.00 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1xmj h LYS 464 CO 0.00 0.10 0.25 1.15 -0.57 0.00 0.00 179.45 180.38 1xmj h THR 465 N -0.72 1.25 -0.91 -0.16 2.02 -2.00 -2.82 112.91 109.58 1xmj h THR 465 Ca -0.03 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.31 1xmj h THR 465 Cb 0.49 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 1xmj h THR 465 CO 0.05 0.33 0.57 0.28 0.37 0.00 0.00 175.52 177.12 1xmj h SER 466 N 1.06 1.07 -0.65 4.18 0.02 -1.95 0.14 113.55 117.43 1xmj h SER 466 Ca 0.24 -0.05 0.13 0.00 -0.84 0.00 0.00 61.79 61.26 1xmj h SER 466 Cb 0.26 -0.27 -0.09 0.00 0.14 0.00 0.00 62.40 62.43 1xmj h SER 466 CO -0.01 0.81 0.16 0.25 -1.14 0.00 0.00 176.83 176.90 1xmj h LEU 467 N 1.24 0.05 -0.17 5.07 5.85 -0.43 -0.12 115.31 126.81 1xmj h LEU 467 Ca 0.33 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 59.15 1xmj h LEU 467 Cb -0.09 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1xmj h LEU 467 CO -0.07 0.02 0.04 -0.07 -0.34 0.00 0.00 178.44 178.02 1xmj h LEU 468 N 0.29 0.25 -1.45 2.25 4.07 -0.85 -2.41 115.31 117.46 1xmj h LEU 468 Ca 0.35 -0.23 0.28 0.00 0.08 0.00 0.00 57.88 58.36 1xmj h LEU 468 Cb 0.54 -0.07 -0.09 0.00 1.08 0.00 0.00 40.66 42.12 1xmj h LEU 468 CO -0.42 0.42 0.69 0.24 -1.08 0.00 0.00 178.44 178.29 1xmj h MET 469 N 0.07 0.32 0.02 1.13 2.86 -0.28 -1.00 114.93 118.05 1xmj h MET 469 Ca 0.05 -0.02 -0.23 0.00 -2.06 0.00 0.00 59.70 57.45 1xmj h MET 469 Cb 0.27 -0.07 0.02 0.00 0.06 0.00 0.00 31.60 31.87 1xmj h MET 469 CO 0.00 0.21 -0.89 1.98 1.06 0.00 0.00 176.91 179.27 1xmj h MET 470 N 0.33 0.57 -0.12 1.72 -1.53 -0.62 -0.67 114.93 114.61 1xmj h MET 470 Ca 0.59 -0.64 -0.00 0.00 -3.44 0.00 0.00 59.70 56.21 1xmj h MET 470 Cb 1.62 0.19 -0.01 0.00 -0.55 0.00 0.00 31.60 32.85 1xmj h MET 470 CO -0.26 1.25 0.06 0.82 0.14 0.00 0.00 176.91 178.92 1xmj h ILE 471 N 0.17 1.04 -0.00 1.77 2.04 -0.91 -1.72 117.51 119.90 1xmj h ILE 471 Ca -0.12 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1xmj h ILE 471 Cb 1.57 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1xmj h ILE 471 CO 0.17 0.05 -0.18 0.23 0.00 0.00 0.00 178.15 178.42 1xmj n MET 472 N -4.50 0.33 -0.97 2.37 2.81 -0.45 -4.94 117.12 111.77 1xmj n MET 472 Ca -0.01 -0.12 0.00 0.00 -1.81 0.00 0.00 57.70 55.76 1xmj n MET 472 Cb 0.10 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 1xmj n MET 472 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xmj n GLY 473 N 1.39 0.48 0.03 3.03 0.00 -0.46 -4.90 105.19 104.77 1xmj n GLY 473 Ca 0.10 -0.34 0.16 0.00 0.00 0.00 0.00 46.02 45.93 1xmj n GLY 473 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xmj n GLU 474 N -2.97 0.93 -3.62 1.61 -0.58 -0.38 -4.67 120.64 110.96 1xmj n GLU 474 Ca 0.00 -0.06 -0.24 0.00 -0.42 0.00 0.00 57.16 56.44 1xmj n GLU 474 Cb 0.00 -1.50 -0.17 0.00 -0.57 0.00 0.00 31.44 29.20 1xmj n GLU 474 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1xmj s LEU 475 N -2.11 0.26 0.06 -4.62 2.96 -1.23 -4.97 118.68 109.03 1xmj s LEU 475 Ca 0.44 -0.42 -0.30 0.00 -0.22 0.00 0.00 54.13 53.63 1xmj s LEU 475 Cb 0.22 -0.17 -0.05 0.00 0.50 0.00 0.00 46.19 46.69 1xmj s LEU 475 CO 0.39 -0.32 1.03 -1.83 -1.32 0.00 0.00 176.35 174.29 1xmj s GLU 476 N 2.16 4.57 0.10 1.98 -1.05 -1.26 -4.63 118.70 120.58 1xmj s GLU 476 Ca 0.03 1.53 -0.31 0.00 -0.15 0.00 0.00 54.97 56.07 1xmj s GLU 476 Cb -0.15 -3.40 -0.08 0.00 -0.44 0.00 0.00 34.13 30.07 1xmj s GLU 476 CO -0.08 -0.01 1.39 -1.25 0.95 0.00 0.00 175.26 176.26 1xmj s PRO 477 N 0.62 4.32 0.19 -4.83 0.04 -1.26 -4.59 135.00 129.49 1xmj s PRO 477 Ca 0.52 2.06 0.26 0.00 0.04 0.00 0.00 61.00 63.88 1xmj s PRO 477 Cb -0.24 -3.28 0.81 0.00 0.04 0.00 0.00 34.50 31.83 1xmj s PRO 477 CO 0.29 -0.45 1.76 0.43 0.04 0.00 0.00 177.00 179.08 1xmj n SER 478 N 4.09 0.77 -3.57 6.66 7.64 0.33 -4.86 113.62 124.67 1xmj n SER 478 Ca 0.12 0.55 -0.17 0.00 1.01 0.00 0.00 58.87 60.38 1xmj n SER 478 Cb 0.42 -0.74 -0.07 0.00 -1.01 0.00 0.00 64.21 62.82 1xmj n SER 478 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1xmj s GLU 479 N -3.10 0.97 0.00 1.43 8.01 -1.07 -4.97 118.70 119.97 1xmj s GLU 479 Ca 0.11 0.24 0.00 0.00 0.01 0.00 0.00 54.97 55.32 1xmj s GLU 479 Cb 0.13 0.45 0.00 0.00 -4.31 0.00 0.00 34.13 30.40 1xmj s GLU 479 CO 0.60 -0.28 0.00 0.41 0.01 0.00 0.00 175.26 176.00 1xmj n GLY 480 N 1.13 -0.42 2.95 -1.39 0.00 -1.19 -1.00 105.19 105.27 1xmj n GLY 480 Ca -0.19 -1.80 -0.23 0.00 0.00 0.00 0.00 46.02 43.80 1xmj n GLY 480 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xmj s LYS 481 N -1.31 1.31 -0.57 1.61 -0.14 -1.12 -4.92 119.74 114.60 1xmj s LYS 481 Ca 0.00 -0.25 -0.20 0.00 -1.36 0.00 0.00 55.97 54.15 1xmj s LYS 481 Cb 0.00 -1.20 0.08 0.00 -1.68 0.00 0.00 37.83 35.02 1xmj s LYS 481 CO 0.00 -0.07 0.75 0.42 -0.76 0.00 0.00 175.35 175.69 1xmj s ILE 482 N 0.96 4.70 -1.07 2.17 1.01 -1.26 -3.13 121.20 124.58 1xmj s ILE 482 Ca -0.10 -0.60 -0.19 0.00 0.00 0.00 0.00 60.65 59.77 1xmj s ILE 482 Cb -0.15 -4.47 0.11 0.00 0.01 0.00 0.00 42.46 37.96 1xmj s ILE 482 CO 0.00 -1.09 1.38 -0.54 0.00 0.00 0.00 174.94 174.69 1xmj s LYS 483 N 3.05 3.77 -0.05 2.79 -0.14 -0.79 -4.94 119.74 123.42 1xmj s LYS 483 Ca 0.16 -1.81 -0.09 0.00 -1.36 0.00 0.00 55.97 52.87 1xmj s LYS 483 Cb -0.20 -5.16 0.02 0.00 -1.68 0.00 0.00 37.83 30.80 1xmj s LYS 483 CO 0.10 -1.96 0.23 -1.58 -0.76 0.00 0.00 175.35 171.38 1xmj s HIS 484 N 3.28 -0.17 -0.23 3.18 5.04 -1.26 -2.94 115.29 122.19 1xmj s HIS 484 Ca 0.42 0.36 -0.20 0.00 -1.54 0.00 0.00 55.06 54.10 1xmj s HIS 484 Cb -0.02 0.05 0.06 0.00 0.04 0.00 0.00 32.58 32.72 1xmj s HIS 484 CO -0.05 -0.23 0.61 -1.12 -2.34 0.00 0.00 174.74 171.62 1xmj s SER 485 N -0.59 -0.68 0.00 9.88 0.01 -1.26 -5.13 113.70 115.93 1xmj s SER 485 Ca -0.07 1.26 0.00 0.00 1.31 0.00 0.00 55.95 58.45 1xmj s SER 485 Cb -0.04 1.24 0.00 0.00 0.21 0.00 0.00 66.02 67.43 1xmj s SER 485 CO 0.01 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.06 1xmj n GLY 486 N 3.11 0.01 3.76 3.44 0.00 -1.26 -4.98 105.19 109.27 1xmj n GLY 486 Ca -0.15 -1.45 -0.39 0.00 0.00 0.00 0.00 46.02 44.02 1xmj n GLY 486 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xmj s ARG 487 N -1.78 4.31 -0.08 1.61 3.52 -1.26 -4.94 118.95 120.33 1xmj s ARG 487 Ca 0.00 0.74 0.00 0.00 -0.13 0.00 0.00 55.73 56.34 1xmj s ARG 487 Cb 0.00 -3.34 -0.03 0.00 -1.56 0.00 0.00 34.95 30.02 1xmj s ARG 487 CO 0.00 0.38 -0.07 0.42 -0.81 0.00 0.00 175.30 175.22 1xmj s ILE 488 N -0.22 3.66 -0.17 4.11 1.01 -1.26 -0.06 121.20 128.27 1xmj s ILE 488 Ca 0.31 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.45 1xmj s ILE 488 Cb -0.18 -2.51 -0.01 0.00 0.01 0.00 0.00 42.46 39.77 1xmj s ILE 488 CO 0.17 0.58 -0.09 -0.55 0.00 0.00 0.00 174.94 175.06 1xmj s SER 489 N -0.63 4.17 -0.19 3.58 0.15 0.57 -4.96 113.70 116.39 1xmj s SER 489 Ca 0.09 -0.34 -0.02 0.00 0.70 0.00 0.00 55.95 56.38 1xmj s SER 489 Cb -0.12 -1.67 -0.01 0.00 -1.71 0.00 0.00 66.02 62.51 1xmj s SER 489 CO 0.02 0.09 -0.08 0.12 1.20 0.00 0.00 173.24 174.59 1xmj s PHE 490 N 0.80 2.90 -0.31 3.44 5.36 -1.26 -0.52 117.98 128.39 1xmj s PHE 490 Ca -0.03 -0.90 -0.11 0.00 -0.96 0.00 0.00 56.93 54.92 1xmj s PHE 490 Cb -0.15 -2.01 -0.03 0.00 -0.34 0.00 0.00 43.02 40.50 1xmj s PHE 490 CO 0.01 -0.46 0.20 0.00 -1.46 0.00 0.00 175.22 173.52 1xmj s SER 492 N 1.71 5.48 0.00 0.00 1.04 -1.26 -1.23 113.70 119.44 1xmj s SER 492 Ca 0.06 1.01 0.28 0.00 0.48 0.00 0.00 55.95 57.78 1xmj s SER 492 Cb -0.17 -1.86 1.12 0.00 0.10 0.00 0.00 66.02 65.21 1xmj s SER 492 CO 0.10 -1.26 1.83 0.00 0.98 0.00 0.00 173.24 174.88 1xmj n GLN 493 N -2.89 0.14 -3.81 4.02 10.64 -1.05 -4.56 117.38 119.87 1xmj n GLN 493 Ca 0.06 -0.03 -0.36 0.00 -1.83 0.00 0.00 57.00 54.84 1xmj n GLN 493 Cb 0.57 -1.50 -0.12 0.00 -0.86 0.00 0.00 30.24 28.33 1xmj n GLN 493 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1xmj s PHE 494 N -2.88 3.12 0.57 2.61 0.40 -1.26 -4.92 117.98 115.63 1xmj s PHE 494 Ca 0.17 -0.27 -0.19 0.00 -0.60 0.00 0.00 56.93 56.03 1xmj s PHE 494 Cb 0.19 -2.22 -0.04 0.00 0.51 0.00 0.00 43.02 41.46 1xmj s PHE 494 CO 0.55 -0.24 1.20 -1.12 0.70 0.00 0.00 175.22 176.31 1xmj s SER 495 N 1.37 5.34 0.10 1.36 0.01 -1.26 -5.06 113.70 115.56 1xmj s SER 495 Ca 0.05 2.36 -0.06 0.00 1.31 0.00 0.00 55.95 59.62 1xmj s SER 495 Cb -0.15 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.47 1xmj s SER 495 CO 0.04 -1.49 0.14 -1.66 0.41 0.00 0.00 173.24 170.68 1xmj s TRP 496 N -1.61 0.35 -0.08 2.43 1.48 -1.26 -5.05 118.94 115.21 1xmj s TRP 496 Ca 0.76 -0.79 -0.03 0.00 -1.06 0.00 0.00 56.10 54.97 1xmj s TRP 496 Cb -0.30 -0.18 0.04 0.00 -1.16 0.00 0.00 33.47 31.88 1xmj s TRP 496 CO 0.33 -0.53 0.17 0.42 -4.06 0.00 0.00 176.95 173.27 1xmj s ILE 497 N -3.91 -0.17 0.33 0.66 -1.09 -1.26 -4.66 121.20 111.10 1xmj s ILE 497 Ca 0.09 0.27 -0.27 0.00 -2.23 0.00 0.00 60.65 58.52 1xmj s ILE 497 Cb 0.06 -0.29 -0.09 0.00 -1.58 0.00 0.00 42.46 40.55 1xmj s ILE 497 CO -0.08 0.11 1.01 -0.04 -1.23 0.00 0.00 174.94 174.72 1xmj s MET 498 N 1.79 4.49 0.06 2.79 -1.94 -1.26 -5.00 119.30 120.23 1xmj s MET 498 Ca -0.03 1.51 -0.33 0.00 -1.71 0.00 0.00 55.69 55.13 1xmj s MET 498 Cb -0.12 -2.86 -0.12 0.00 2.01 0.00 0.00 34.83 33.74 1xmj s MET 498 CO -0.06 0.16 1.77 -0.35 -0.01 0.00 0.00 175.02 176.53 1xmj n PRO 499 N 0.61 2.37 -0.60 2.03 -0.04 -1.26 -4.74 135.00 133.36 1xmj n PRO 499 Ca 0.02 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.34 1xmj n PRO 499 Cb 0.48 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 1xmj n PRO 499 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xmj n GLY 500 N 4.03 0.57 3.83 0.55 0.00 -0.87 -4.98 105.19 108.32 1xmj n GLY 500 Ca 0.19 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 1xmj n GLY 500 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xmj s THR 501 N -1.81 1.99 0.11 2.61 -4.23 -1.26 -0.46 115.64 112.60 1xmj s THR 501 Ca 0.00 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.33 1xmj s THR 501 Cb 0.00 -2.85 -0.05 0.00 1.34 0.00 0.00 72.50 70.94 1xmj s THR 501 CO 0.00 0.00 1.66 0.40 -0.54 0.00 0.00 174.62 176.14 1xmj h ILE 502 N -1.36 1.17 -0.57 2.99 2.04 -1.48 -2.01 117.51 118.29 1xmj h ILE 502 Ca -0.48 -0.52 0.06 0.00 1.00 0.00 0.00 64.86 64.91 1xmj h ILE 502 Cb 1.33 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 38.32 1xmj h ILE 502 CO 0.62 0.18 0.29 0.50 0.00 0.00 0.00 178.15 179.74 1xmj h LYS 503 N 0.33 0.53 -0.68 2.37 3.64 -1.66 -2.82 116.57 118.29 1xmj h LYS 503 Ca 0.10 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1xmj h LYS 503 Cb 0.17 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1xmj h LYS 503 CO -0.01 0.35 0.21 0.93 -2.27 0.00 0.00 179.45 178.66 1xmj h GLU 504 N 0.55 1.06 0.00 1.90 5.08 -1.81 0.16 114.58 121.52 1xmj h GLU 504 Ca 0.26 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1xmj h GLU 504 Cb 0.18 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1xmj h GLU 504 CO -0.18 0.92 -0.01 -0.91 -1.00 0.00 0.00 179.01 177.83 1xmj h ASN 505 N 0.99 0.00 0.01 1.42 2.35 -1.12 -0.54 115.58 118.70 1xmj h ASN 505 Ca 0.22 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.59 1xmj h ASN 505 Cb 0.30 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.61 1xmj h ASN 505 CO -0.01 0.01 -2.40 -0.38 -1.65 0.00 0.00 177.43 173.00 1xmj n ILE 506 N -3.54 1.44 -0.04 2.81 5.41 -0.73 -4.59 119.36 120.12 1xmj n ILE 506 Ca -0.03 -0.75 -0.04 0.00 1.00 0.00 0.00 62.75 62.93 1xmj n ILE 506 Cb 0.09 -0.83 -0.14 0.00 -0.71 0.00 0.00 39.64 38.05 1xmj n ILE 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1xmj n ILE 507 N -2.95 1.20 0.00 1.39 0.13 -0.03 -4.52 119.36 114.58 1xmj n ILE 507 Ca -0.37 -0.75 0.00 0.00 -1.10 0.00 0.00 62.75 60.53 1xmj n ILE 507 Cb 1.10 -0.60 0.00 0.00 -0.84 0.00 0.00 39.64 39.30 1xmj n ILE 507 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1xmj n GLY 509 N 1.55 0.51 0.00 4.50 0.00 -0.23 -3.21 105.19 108.31 1xmj n GLY 509 Ca -0.19 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1xmj n GLY 509 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1xmj n VAL 510 N 0.00 0.00 -3.23 1.61 3.14 -1.26 -4.85 118.33 113.74 1xmj n VAL 510 Ca 0.00 -0.03 -0.43 0.00 -2.96 0.00 0.00 64.34 60.93 1xmj n VAL 510 Cb 0.00 0.46 -0.08 0.00 -1.06 0.00 0.00 33.84 33.16 1xmj n VAL 510 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1xmj s SER 511 N -0.21 6.26 -0.24 6.55 0.15 -1.20 -5.06 113.70 119.95 1xmj s SER 511 Ca 0.00 -0.42 -0.06 0.00 0.70 0.00 0.00 55.95 56.17 1xmj s SER 511 Cb 0.00 -2.27 -0.01 0.00 -1.71 0.00 0.00 66.02 62.03 1xmj s SER 511 CO 0.00 -0.63 0.02 -0.47 1.20 0.00 0.00 173.24 173.36 1xmj s TYR 512 N 2.43 3.04 -0.15 3.44 5.04 -1.26 -4.87 117.35 125.02 1xmj s TYR 512 Ca 0.17 -0.74 0.02 0.00 -2.44 0.00 0.00 57.07 54.08 1xmj s TYR 512 Cb -0.16 -2.18 0.01 0.00 0.35 0.00 0.00 41.96 39.99 1xmj s TYR 512 CO 0.15 -0.48 -0.21 0.34 -1.34 0.00 0.00 175.55 174.02 1xmj s ASP 513 N 1.54 3.08 0.15 4.32 2.15 -1.26 -5.05 116.67 121.60 1xmj s ASP 513 Ca 0.05 -0.61 -0.14 0.00 0.43 0.00 0.00 52.55 52.28 1xmj s ASP 513 Cb -0.15 -1.44 0.03 0.00 -0.30 0.00 0.00 42.92 41.06 1xmj s ASP 513 CO 0.00 0.04 1.71 -0.08 -0.17 0.00 0.00 175.17 176.67 1xmj h GLU 514 N 7.58 0.70 -0.15 4.34 4.81 -1.99 -0.71 114.58 129.17 1xmj h GLU 514 Ca -0.38 -0.12 -0.11 0.00 -0.13 0.00 0.00 59.36 58.62 1xmj h GLU 514 Cb 1.17 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1xmj h GLU 514 CO 0.58 0.62 -0.35 1.88 -0.73 0.00 0.00 179.01 181.02 1xmj h TYR 515 N 0.62 0.63 -0.13 0.92 -1.99 -2.00 -2.24 116.97 112.79 1xmj h TYR 515 Ca 0.16 -0.24 0.03 0.00 2.00 0.00 0.00 58.73 60.68 1xmj h TYR 515 Cb 0.18 -0.11 -0.03 0.00 2.00 0.00 0.00 36.73 38.76 1xmj h TYR 515 CO 0.00 0.97 -0.06 -0.09 -0.00 0.00 0.00 178.16 178.99 1xmj h ARG 516 N 0.11 -0.04 -0.24 4.88 2.43 -1.99 -2.42 114.38 117.10 1xmj h ARG 516 Ca -0.00 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1xmj h ARG 516 Cb 0.96 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.45 1xmj h ARG 516 CO 0.08 -0.03 -0.15 -0.92 -1.51 0.00 0.00 179.97 177.44 1xmj h TYR 517 N -0.04 -0.37 -0.46 2.20 3.20 -1.10 -1.26 116.97 119.14 1xmj h TYR 517 Ca 0.07 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.00 1xmj h TYR 517 Cb 0.14 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 1xmj h TYR 517 CO -0.19 -0.22 0.26 -0.09 -1.64 0.00 0.00 178.16 176.28 1xmj h ARG 518 N -0.13 0.50 -0.52 1.82 9.65 -1.27 -0.81 114.38 123.61 1xmj h ARG 518 Ca 0.13 -0.03 -0.08 0.00 -1.10 0.00 0.00 59.98 58.90 1xmj h ARG 518 Cb 0.33 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.78 1xmj h ARG 518 CO -0.32 0.33 0.01 0.66 2.80 0.00 0.00 179.97 183.45 1xmj h SER 519 N 0.52 0.85 -0.41 -3.80 4.64 -0.97 -0.95 113.55 113.42 1xmj h SER 519 Ca 0.19 -0.21 -0.06 0.00 -0.47 0.00 0.00 61.79 61.24 1xmj h SER 519 Cb 0.05 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 1xmj h SER 519 CO -0.11 0.90 0.04 0.58 -0.87 0.00 0.00 176.83 177.38 1xmj h VAL 520 N 0.81 1.25 0.00 0.95 2.07 -0.50 -1.25 116.25 119.59 1xmj h VAL 520 Ca 0.16 -0.94 -0.13 0.00 0.82 0.00 0.00 66.70 66.61 1xmj h VAL 520 Cb 0.48 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1xmj h VAL 520 CO 0.02 0.32 -0.60 0.16 0.02 0.00 0.00 177.57 177.49 1xmj h ILE 521 N 0.54 1.34 0.39 4.57 3.07 -0.96 -1.58 117.51 124.88 1xmj h ILE 521 Ca 0.12 -2.14 -0.02 0.00 1.55 0.00 0.00 64.86 64.38 1xmj h ILE 521 Cb 0.42 2.18 0.00 0.00 -0.27 0.00 0.00 36.82 39.16 1xmj h ILE 521 CO 0.01 0.59 -0.19 0.50 -1.05 0.00 0.00 178.15 178.02 1xmj h LYS 522 N 0.00 -0.50 -0.01 0.16 3.64 -1.11 -0.61 116.57 118.13 1xmj h LYS 522 Ca -0.01 0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 1xmj h LYS 522 Cb 1.13 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1xmj h LYS 522 CO 0.08 -0.27 -0.40 0.00 -2.27 0.00 0.00 179.45 176.59 1xmj h ALA 523 N -0.06 1.31 -0.22 5.00 0.00 -1.14 -1.78 119.26 122.37 1xmj h ALA 523 Ca -0.05 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1xmj h ALA 523 Cb 0.46 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1xmj h ALA 523 CO 0.09 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.85 1xmj n GLN 525 N 0.23 -6.75 -0.00 0.00 1.13 -0.67 -4.91 117.38 106.40 1xmj n GLN 525 Ca 0.12 0.78 0.08 0.00 -1.94 0.00 0.00 57.00 56.04 1xmj n GLN 525 Cb 0.25 -5.64 -0.11 0.00 0.11 0.00 0.00 30.24 24.85 1xmj n GLN 525 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1xmj n LEU 526 N -4.27 0.47 -0.30 1.08 4.77 -0.27 -4.67 117.00 113.81 1xmj n LEU 526 Ca -0.14 -0.31 -0.03 0.00 -0.03 0.00 0.00 56.01 55.50 1xmj n LEU 526 Cb 0.61 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.79 1xmj n LEU 526 CO 0.58 0.12 1.21 -0.33 -1.33 0.00 0.00 177.39 177.65 1xmj h GLU 527 N 0.00 1.05 -0.18 3.23 5.08 -1.88 0.92 114.58 122.80 1xmj h GLU 527 Ca 0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1xmj h GLU 527 Cb 0.54 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1xmj h GLU 527 CO 0.00 0.70 0.06 0.93 -1.00 0.00 0.00 179.01 179.70 1xmj h GLU 528 N 1.08 0.27 -0.51 2.33 5.08 -1.94 -1.09 114.58 119.81 1xmj h GLU 528 Ca 0.32 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.68 1xmj h GLU 528 Cb -0.07 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.09 1xmj h GLU 528 CO -0.09 0.37 0.21 -0.44 -1.00 0.00 0.00 179.01 178.06 1xmj h ASP 529 N 0.12 0.25 -0.34 1.42 3.32 -1.70 -2.56 116.42 116.93 1xmj h ASP 529 Ca 0.06 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 1xmj h ASP 529 Cb 0.20 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1xmj h ASP 529 CO -0.00 0.17 -0.09 0.40 -1.72 0.00 0.00 179.24 178.00 1xmj h ILE 530 N 0.41 1.25 0.00 0.35 2.04 -0.70 -2.89 117.51 117.97 1xmj h ILE 530 Ca 0.24 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.94 1xmj h ILE 530 Cb 0.22 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1xmj h ILE 530 CO -0.22 0.39 -0.15 0.77 0.00 0.00 0.00 178.15 178.94 1xmj h SER 531 N 0.70 0.00 0.28 1.72 4.64 -0.83 -2.67 113.55 117.39 1xmj h SER 531 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1xmj h SER 531 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1xmj h SER 531 CO 0.03 0.15 0.00 0.29 -0.87 0.00 0.00 176.83 176.43 1xmj n LYS 532 N -3.25 0.24 -4.63 4.77 4.01 -1.00 -4.73 118.16 113.58 1xmj n LYS 532 Ca 0.01 0.13 -0.34 0.00 -0.51 0.00 0.00 58.31 57.60 1xmj n LYS 532 Cb 0.43 -1.50 -0.11 0.00 -0.51 0.00 0.00 35.03 33.33 1xmj n LYS 532 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 1xmj s PHE 533 N -2.53 2.93 0.22 2.13 0.08 -1.00 -5.02 117.98 114.79 1xmj s PHE 533 Ca 0.16 0.02 -0.08 0.00 0.12 0.00 0.00 56.93 57.14 1xmj s PHE 533 Cb 0.11 -1.71 0.26 0.00 -0.57 0.00 0.00 43.02 41.11 1xmj s PHE 533 CO 0.24 0.33 1.85 0.00 -0.10 0.00 0.00 175.22 177.53 1xmj h ALA 534 N 5.26 1.04 -0.11 5.36 0.00 -1.87 -0.40 119.26 128.53 1xmj h ALA 534 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1xmj h ALA 534 Cb 1.17 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1xmj h ALA 534 CO 0.52 0.23 0.00 -1.91 0.00 0.00 0.00 179.25 178.09 1xmj n GLU 535 N -4.66 1.45 0.00 0.00 4.07 -1.26 -5.00 120.64 115.24 1xmj n GLU 535 Ca 0.10 -0.67 0.00 0.00 -0.06 0.00 0.00 57.16 56.52 1xmj n GLU 535 Cb 0.13 -1.33 0.00 0.00 -0.06 0.00 0.00 31.44 30.19 1xmj n GLU 535 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1xmj n LYS 536 N -0.09 0.00 -0.11 5.31 5.02 -0.16 -0.53 118.16 127.60 1xmj n LYS 536 Ca 0.14 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.46 1xmj n LYS 536 Cb 0.22 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.31 1xmj n LYS 536 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1xmj n ASP 537 N 3.48 1.10 -1.25 4.39 3.85 -1.26 -2.89 116.55 123.96 1xmj n ASP 537 Ca 0.00 -2.03 0.10 0.00 -0.71 0.00 0.00 54.79 52.16 1xmj n ASP 537 Cb 0.00 -0.17 0.29 0.00 -1.35 0.00 0.00 41.12 39.89 1xmj n ASP 537 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1xmj n ASN 538 N 0.04 3.64 -4.75 -1.12 5.03 0.31 -1.70 115.26 116.70 1xmj n ASN 538 Ca 0.06 -2.06 -0.41 0.00 0.87 0.00 0.00 54.58 53.04 1xmj n ASN 538 Cb 0.19 -0.46 -0.03 0.00 -1.02 0.00 0.00 39.78 38.47 1xmj n ASN 538 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1xmj s ILE 539 N -1.23 3.04 0.04 2.41 -4.36 -1.14 -4.82 121.20 115.14 1xmj s ILE 539 Ca 0.44 0.95 -0.18 0.00 -0.26 0.00 0.00 60.65 61.61 1xmj s ILE 539 Cb 0.24 -3.61 -0.06 0.00 1.25 0.00 0.00 42.46 40.28 1xmj s ILE 539 CO 0.29 0.19 0.52 -0.69 0.24 0.00 0.00 174.94 175.48 1xmj s VAL 540 N -0.56 4.85 0.14 8.37 1.01 -1.26 -2.71 120.40 130.24 1xmj s VAL 540 Ca 0.52 1.09 0.10 0.00 0.00 0.00 0.00 61.98 63.69 1xmj s VAL 540 Cb -0.37 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1xmj s VAL 540 CO 0.44 0.55 -0.24 -0.76 0.00 0.00 0.00 175.10 175.09 1xmj s LEU 541 N -1.01 2.35 0.00 3.92 1.43 0.39 -3.75 118.68 122.01 1xmj s LEU 541 Ca 0.27 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 1xmj s LEU 541 Cb -0.18 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 44.92 1xmj s LEU 541 CO 0.17 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.49 1xmj n GLY 542 N 0.76 0.46 0.21 -3.19 0.00 -1.26 -2.06 105.19 100.10 1xmj n GLY 542 Ca -0.17 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.05 1xmj n GLY 542 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xmj h GLU 543 N 0.00 0.66 -3.09 1.61 4.57 -1.99 -1.99 114.58 114.34 1xmj h GLU 543 Ca 0.00 -0.20 -0.78 0.00 -1.18 0.00 0.00 59.36 57.20 1xmj h GLU 543 Cb 0.00 -0.06 -0.21 0.00 -0.16 0.00 0.00 28.75 28.32 1xmj h GLU 543 CO 0.00 0.75 1.49 0.41 -1.18 0.00 0.00 179.01 180.48 1xmj n GLY 544 N -0.38 5.08 3.25 1.92 0.00 -1.26 -4.99 105.19 108.81 1xmj n GLY 544 Ca -0.01 -2.36 -0.14 0.00 0.00 0.00 0.00 46.02 43.51 1xmj n GLY 544 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xmj s GLY 545 N -0.44 1.26 0.17 -0.02 0.00 -0.75 -4.55 107.32 103.00 1xmj s GLY 545 Ca 0.37 -1.61 0.25 0.00 0.00 0.00 0.00 44.72 43.73 1xmj s GLY 545 CO 0.03 -1.53 1.76 4.51 0.00 0.00 0.00 173.10 177.87 1xmj n ILE 546 N -0.26 0.59 -1.97 0.90 0.13 -1.25 -4.80 119.36 112.71 1xmj n ILE 546 Ca -0.06 -0.06 -0.02 0.00 -1.10 0.00 0.00 62.75 61.51 1xmj n ILE 546 Cb 0.63 -0.76 -0.02 0.00 -0.84 0.00 0.00 39.64 38.66 1xmj n ILE 546 CO 0.00 0.00 0.00 0.41 2.80 0.00 0.00 176.55 179.76 1xmj n THR 547 N -2.07 -7.13 -3.85 9.51 -1.04 -1.26 -5.04 114.28 103.39 1xmj n THR 547 Ca 0.05 1.15 -0.33 0.00 -2.04 0.00 0.00 64.05 62.88 1xmj n THR 547 Cb 0.34 -4.85 -0.05 0.00 -1.82 0.00 0.00 70.33 63.95 1xmj n THR 547 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1xmj s LEU 548 N -0.32 4.36 0.86 -4.42 1.02 -1.26 -5.08 118.68 113.83 1xmj s LEU 548 Ca -0.11 0.41 -0.10 0.00 0.02 0.00 0.00 54.13 54.34 1xmj s LEU 548 Cb 0.01 -2.74 0.11 0.00 0.02 0.00 0.00 46.19 43.59 1xmj s LEU 548 CO 0.34 0.23 1.12 -0.94 0.02 0.00 0.00 176.35 177.12 1xmj s SER 549 N -2.01 3.56 0.36 2.29 1.04 -1.26 -4.82 113.70 112.86 1xmj s SER 549 Ca 0.30 2.00 0.04 0.00 0.48 0.00 0.00 55.95 58.77 1xmj s SER 549 Cb -0.13 -2.53 0.70 0.00 0.10 0.00 0.00 66.02 64.16 1xmj s SER 549 CO 0.20 -2.66 1.98 -0.33 0.98 0.00 0.00 173.24 173.40 1xmj h GLU 550 N -1.57 0.77 -0.34 4.02 4.39 -1.98 -2.07 114.58 117.81 1xmj h GLU 550 Ca -0.44 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.15 1xmj h GLU 550 Cb 1.25 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 1xmj h GLU 550 CO 0.46 0.51 -0.03 0.78 -1.16 0.00 0.00 179.01 179.57 1xmj h GLY 551 N 0.80 0.68 1.01 -3.84 0.00 -1.91 -1.64 103.07 98.16 1xmj h GLY 551 Ca 0.28 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1xmj h GLY 551 CO -0.08 0.48 0.53 1.46 0.00 0.00 0.00 176.54 178.93 1xmj h GLN 552 N 0.42 1.10 -0.41 4.80 4.20 -1.79 -1.66 115.11 121.78 1xmj h GLN 552 Ca 0.09 -0.08 -0.14 0.00 0.06 0.00 0.00 58.65 58.58 1xmj h GLN 552 Cb 0.51 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1xmj h GLN 552 CO 0.02 0.75 -0.31 1.96 -0.67 0.00 0.00 178.83 180.58 1xmj h GLN 553 N 1.13 0.90 -0.87 1.46 4.20 -1.22 -1.18 115.11 119.53 1xmj h GLN 553 Ca 0.30 -0.43 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 1xmj h GLN 553 Cb -0.10 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.63 1xmj h GLN 553 CO -0.06 1.08 0.48 0.00 -0.67 0.00 0.00 178.83 179.66 1xmj h ALA 554 N 0.88 1.12 -0.35 3.87 0.00 -1.08 -0.11 119.26 123.60 1xmj h ALA 554 Ca 0.08 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1xmj h ALA 554 Cb 0.88 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1xmj h ALA 554 CO 0.08 0.63 -0.21 0.87 0.00 0.00 0.00 179.25 180.62 1xmj h LYS 555 N 1.22 0.76 -0.62 0.00 1.57 -0.79 -1.51 116.57 117.20 1xmj h LYS 555 Ca 0.31 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1xmj h LYS 555 Cb 0.02 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1xmj h LYS 555 CO -0.05 0.97 0.35 0.82 -0.57 0.00 0.00 179.45 180.97 1xmj h ILE 556 N 0.54 1.19 -0.77 1.86 2.04 -1.11 0.18 117.51 121.44 1xmj h ILE 556 Ca 0.07 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 1xmj h ILE 556 Cb 0.76 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1xmj h ILE 556 CO 0.06 0.21 0.39 0.28 0.00 0.00 0.00 178.15 179.09 1xmj h SER 557 N 0.84 0.99 -0.34 1.72 0.02 -0.85 0.88 113.55 116.81 1xmj h SER 557 Ca 0.22 -0.12 -0.16 0.00 -0.84 0.00 0.00 61.79 60.89 1xmj h SER 557 Cb 0.02 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.31 1xmj h SER 557 CO -0.04 0.83 -0.40 0.25 -1.14 0.00 0.00 176.83 176.33 1xmj h LEU 558 N 1.08 0.94 -0.49 5.07 5.85 -1.08 -2.56 115.31 124.11 1xmj h LEU 558 Ca 0.27 -0.49 0.06 0.00 0.84 0.00 0.00 57.88 58.56 1xmj h LEU 558 Cb 0.09 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 1xmj h LEU 558 CO -0.04 1.24 0.19 0.00 -0.34 0.00 0.00 178.44 179.49 1xmj h ALA 559 N 0.73 0.61 -0.77 1.25 0.00 -0.17 0.11 119.26 121.02 1xmj h ALA 559 Ca 0.05 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1xmj h ALA 559 Cb 1.00 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 1xmj h ALA 559 CO 0.10 -0.19 0.45 -0.09 0.00 0.00 0.00 179.25 179.51 1xmj h ARG 560 N 0.38 0.78 -0.26 0.00 2.43 -0.77 0.19 114.38 117.14 1xmj h ARG 560 Ca 0.23 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 59.18 1xmj h ARG 560 Cb 0.22 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1xmj h ARG 560 CO -0.22 0.52 -0.53 0.00 -1.51 0.00 0.00 179.97 178.23 1xmj h ALA 561 N 1.39 0.42 -0.00 2.80 0.00 -0.90 -2.50 119.26 120.46 1xmj h ALA 561 Ca 0.35 -0.51 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 1xmj h ALA 561 Cb 0.22 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1xmj h ALA 561 CO -0.19 0.62 -0.75 0.28 0.00 0.00 0.00 179.25 179.20 1xmj h VAL 562 N 0.58 1.54 -0.32 0.00 2.07 -0.54 -3.17 116.25 116.40 1xmj h VAL 562 Ca 0.01 -2.56 -0.13 0.00 0.82 0.00 0.00 66.70 64.83 1xmj h VAL 562 Cb 1.14 2.38 -0.01 0.00 -1.52 0.00 0.00 31.29 33.28 1xmj h VAL 562 CO 0.12 0.73 -0.34 0.22 0.02 0.00 0.00 177.57 178.32 1xmj h TYR 563 N 0.00 0.85 -2.34 1.57 3.20 -0.58 -3.43 116.97 116.24 1xmj h TYR 563 Ca -0.01 -0.23 -0.58 0.00 3.14 0.00 0.00 58.73 61.05 1xmj h TYR 563 Cb 1.33 -0.19 0.06 0.00 1.54 0.00 0.00 36.73 39.47 1xmj h TYR 563 CO 0.00 0.97 0.80 1.17 -1.64 0.00 0.00 178.16 179.46 1xmj n LYS 564 N -4.06 2.19 -2.69 1.82 4.81 -0.95 -4.92 118.16 114.36 1xmj n LYS 564 Ca -0.01 0.79 -0.43 0.00 -0.87 0.00 0.00 58.31 57.79 1xmj n LYS 564 Cb 0.50 -2.55 -0.02 0.00 0.02 0.00 0.00 35.03 32.97 1xmj n LYS 564 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1xmj s ASP 565 N 0.87 7.10 0.15 3.14 -1.08 -1.26 -4.94 116.67 120.64 1xmj s ASP 565 Ca 0.77 1.38 -0.16 0.00 -0.52 0.00 0.00 52.55 54.02 1xmj s ASP 565 Cb -0.66 -2.53 0.03 0.00 -1.46 0.00 0.00 42.92 38.29 1xmj s ASP 565 CO 0.39 -0.61 0.42 0.00 0.52 0.00 0.00 175.17 175.89 1xmj s ALA 566 N 2.93 -0.86 -0.07 3.66 0.00 -1.26 -4.93 121.76 121.22 1xmj s ALA 566 Ca 0.44 -0.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.21 1xmj s ALA 566 Cb -0.16 0.75 -0.26 0.00 0.00 0.00 0.00 23.12 23.45 1xmj s ALA 566 CO 0.08 -0.69 0.58 -0.44 0.00 0.00 0.00 175.76 175.29 1xmj h ASP 567 N 2.33 0.35 -3.30 0.00 3.32 -0.84 -3.46 116.42 114.82 1xmj h ASP 567 Ca -0.32 -0.66 -0.54 0.00 0.02 0.00 0.00 57.03 55.52 1xmj h ASP 567 Cb 1.26 -0.11 -0.35 0.00 0.22 0.00 0.00 39.33 40.34 1xmj h ASP 567 CO 0.44 1.58 -0.82 -0.22 -1.72 0.00 0.00 179.24 178.51 1xmj s LEU 568 N -6.86 1.54 -0.24 1.55 2.96 -0.73 -3.75 118.68 113.15 1xmj s LEU 568 Ca -0.15 -0.34 -0.08 0.00 -0.22 0.00 0.00 54.13 53.34 1xmj s LEU 568 Cb 0.07 -0.91 -0.04 0.00 0.50 0.00 0.00 46.19 45.81 1xmj s LEU 568 CO 0.81 -0.02 0.09 -0.31 -1.32 0.00 0.00 176.35 175.60 1xmj s TYR 569 N 1.07 3.15 -0.36 5.38 1.51 -0.17 -0.31 117.35 127.61 1xmj s TYR 569 Ca -0.06 -0.19 -0.04 0.00 -1.01 0.00 0.00 57.07 55.76 1xmj s TYR 569 Cb -0.15 -2.22 0.07 0.00 -0.11 0.00 0.00 41.96 39.56 1xmj s TYR 569 CO -0.02 -0.19 0.12 -0.51 -1.11 0.00 0.00 175.55 173.84 1xmj s LEU 570 N 1.32 4.59 -0.39 -1.29 1.43 0.32 -0.31 118.68 124.35 1xmj s LEU 570 Ca 0.05 -1.55 -0.05 0.00 -1.03 0.00 0.00 54.13 51.56 1xmj s LEU 570 Cb -0.15 -1.81 0.09 0.00 0.03 0.00 0.00 46.19 44.35 1xmj s LEU 570 CO 0.04 -0.40 0.19 -0.76 0.23 0.00 0.00 176.35 175.65 1xmj s LEU 571 N 1.26 4.98 -0.54 1.79 1.02 0.45 -1.00 118.68 126.64 1xmj s LEU 571 Ca 0.01 -1.71 -0.17 0.00 0.02 0.00 0.00 54.13 52.28 1xmj s LEU 571 Cb -0.21 -1.87 0.10 0.00 0.02 0.00 0.00 46.19 44.24 1xmj s LEU 571 CO -0.01 -0.49 0.55 -0.62 0.02 0.00 0.00 176.35 175.79 1xmj s ASP 572 N 1.85 6.18 -0.59 2.29 -1.08 -0.36 -0.77 116.67 124.19 1xmj s ASP 572 Ca 0.04 -1.51 -0.04 0.00 -0.52 0.00 0.00 52.55 50.52 1xmj s ASP 572 Cb -0.22 -2.24 0.01 0.00 -1.46 0.00 0.00 42.92 39.00 1xmj s ASP 572 CO -0.01 -0.89 0.46 -1.20 0.52 0.00 0.00 175.17 174.04 1xmj n SER 573 N 5.64 -3.69 -0.05 -0.34 7.64 -0.54 -2.53 113.62 119.76 1xmj n SER 573 Ca -0.12 -0.67 0.14 0.00 1.01 0.00 0.00 58.87 59.23 1xmj n SER 573 Cb 0.42 -1.20 0.58 0.00 -1.01 0.00 0.00 64.21 63.00 1xmj n SER 573 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1xmj n PRO 574 N -1.88 0.36 -0.48 1.43 -0.04 -1.26 -3.96 135.00 129.16 1xmj n PRO 574 Ca -0.23 -0.10 0.11 0.00 -0.04 0.00 0.00 63.50 63.24 1xmj n PRO 574 Cb 0.53 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.83 1xmj n PRO 574 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1xmj n PHE 575 N -1.23 1.21 -0.26 0.54 3.72 -1.26 -4.80 117.46 115.38 1xmj n PHE 575 Ca 0.11 -0.55 -0.07 0.00 -0.05 0.00 0.00 57.45 56.89 1xmj n PHE 575 Cb 0.30 -0.11 -0.06 0.00 -0.94 0.00 0.00 39.48 38.66 1xmj n PHE 575 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xmj n GLY 576 N 1.40 -1.68 1.40 1.37 0.00 -1.25 -1.95 105.19 104.48 1xmj n GLY 576 Ca 0.25 0.74 0.04 0.00 0.00 0.00 0.00 46.02 47.05 1xmj n GLY 576 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xmj n TYR 577 N -4.69 1.57 -3.41 1.61 4.01 -1.26 -4.98 117.16 110.00 1xmj n TYR 577 Ca 0.01 -0.97 -0.33 0.00 -0.16 0.00 0.00 57.90 56.46 1xmj n TYR 577 Cb 0.16 -0.46 -0.05 0.00 -0.31 0.00 0.00 39.34 38.67 1xmj n TYR 577 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1xmj s LEU 578 N -2.89 4.20 0.83 7.72 1.43 -0.82 -4.26 118.68 124.89 1xmj s LEU 578 Ca 0.48 0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 54.41 1xmj s LEU 578 Cb 0.39 -3.59 0.09 0.00 0.03 0.00 0.00 46.19 43.11 1xmj s LEU 578 CO 0.11 -0.04 1.12 1.51 0.23 0.00 0.00 176.35 179.28 1xmj s ASP 579 N -2.23 4.21 0.26 2.29 -4.77 -1.26 -4.77 116.67 110.40 1xmj s ASP 579 Ca 0.45 1.11 -0.03 0.00 -3.30 0.00 0.00 52.55 50.78 1xmj s ASP 579 Cb -0.12 -1.77 0.37 0.00 -1.09 0.00 0.00 42.92 40.32 1xmj s ASP 579 CO 0.21 -2.13 1.89 0.58 0.70 0.00 0.00 175.17 176.42 1xmj h VAL 580 N -1.20 1.11 -0.17 2.11 2.07 -1.98 -0.92 116.25 117.27 1xmj h VAL 580 Ca -0.48 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 66.56 1xmj h VAL 580 Cb 1.30 -0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1xmj h VAL 580 CO 0.61 0.22 -0.16 0.25 0.02 0.00 0.00 177.57 178.51 1xmj h LEU 581 N 1.19 0.43 -0.35 2.57 5.85 -1.99 -1.37 115.31 121.65 1xmj h LEU 581 Ca 0.42 -0.47 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1xmj h LEU 581 Cb 0.11 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1xmj h LEU 581 CO -0.16 0.82 0.15 0.74 -0.34 0.00 0.00 178.44 179.65 1xmj h THR 582 N 0.06 1.18 -0.64 1.05 2.02 -1.84 0.14 112.91 114.87 1xmj h THR 582 Ca 0.03 -0.54 0.02 0.00 0.77 0.00 0.00 66.41 66.69 1xmj h THR 582 Cb 0.69 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 1xmj h THR 582 CO 0.04 0.19 0.40 -0.08 0.37 0.00 0.00 175.52 176.45 1xmj h GLU 583 N 0.43 0.77 0.54 6.66 4.81 -1.17 -1.11 114.58 125.50 1xmj h GLU 583 Ca 0.12 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1xmj h GLU 583 Cb 0.17 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.38 1xmj h GLU 583 CO -0.01 0.51 -0.26 -0.22 -0.73 0.00 0.00 179.01 178.30 1xmj h LYS 584 N 0.79 -0.70 -0.14 1.92 3.64 -0.85 -0.43 116.57 120.79 1xmj h LYS 584 Ca 0.25 0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.72 1xmj h LYS 584 Cb 0.00 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1xmj h LYS 584 CO -0.10 -0.47 0.10 0.93 -2.27 0.00 0.00 179.45 177.65 1xmj h GLU 585 N -0.73 0.02 0.11 1.90 5.08 -0.58 -1.35 114.58 119.03 1xmj h GLU 585 Ca -0.07 -0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.04 1xmj h GLU 585 Cb 0.56 -0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.83 1xmj h GLU 585 CO 0.12 0.01 -1.05 0.82 -1.00 0.00 0.00 179.01 177.92 1xmj h ILE 586 N 0.02 1.36 -0.86 3.13 2.04 -0.93 -1.39 117.51 120.87 1xmj h ILE 586 Ca 0.07 -2.42 0.01 0.00 1.00 0.00 0.00 64.86 63.52 1xmj h ILE 586 Cb 0.25 2.82 -0.04 0.00 -0.74 0.00 0.00 36.82 39.10 1xmj h ILE 586 CO -0.00 0.72 0.57 0.15 0.00 0.00 0.00 178.15 179.58 1xmj h PHE 587 N 0.05 1.09 0.10 1.37 3.57 -0.71 0.54 116.94 122.95 1xmj h PHE 587 Ca -0.16 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.36 1xmj h PHE 587 Cb 1.76 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 40.13 1xmj h PHE 587 CO 0.14 0.69 -0.05 0.93 -2.23 0.00 0.00 178.31 177.80 1xmj h GLU 588 N 1.17 -0.12 0.04 1.11 5.08 -1.31 -0.55 114.58 120.00 1xmj h GLU 588 Ca 0.32 0.01 -0.25 0.00 -1.00 0.00 0.00 59.36 58.43 1xmj h GLU 588 Cb -0.13 0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.17 1xmj h GLU 588 CO -0.07 0.39 -1.02 0.77 -1.00 0.00 0.00 179.01 178.09 1xmj h SER 589 N -0.79 0.83 0.00 1.42 0.02 -1.24 -0.23 113.55 113.57 1xmj h SER 589 Ca -0.01 -0.77 0.00 0.00 -0.84 0.00 0.00 61.79 60.16 1xmj h SER 589 Cb 0.58 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1xmj h SER 589 CO 0.02 1.50 0.00 0.00 -1.14 0.00 0.00 176.83 177.21 1xmj h VAL 591 N 0.00 1.21 0.00 0.00 2.07 -1.30 -0.24 116.25 118.00 1xmj h VAL 591 Ca 0.00 -0.69 -0.25 0.00 0.82 0.00 0.00 66.70 66.59 1xmj h VAL 591 Cb 0.00 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1xmj h VAL 591 CO 0.00 0.26 -1.36 0.00 0.02 0.00 0.00 177.57 176.50 1xmj n LYS 593 N -4.40 0.00 -0.32 0.00 4.01 -0.10 -3.17 118.16 114.18 1xmj n LYS 593 Ca -0.34 0.37 0.17 0.00 -0.51 0.00 0.00 58.31 58.00 1xmj n LYS 593 Cb 0.70 -0.87 0.41 0.00 -0.51 0.00 0.00 35.03 34.77 1xmj n LYS 593 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 1xmj h LEU 594 N 0.00 0.61 -3.50 -0.35 5.85 -0.24 -2.05 115.31 115.64 1xmj h LEU 594 Ca 0.00 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1xmj h LEU 594 Cb 0.00 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1xmj h LEU 594 CO 0.00 0.19 0.01 0.23 -0.34 0.00 0.00 178.44 178.53 1xmj n MET 595 N -4.68 4.33 -0.10 1.25 2.81 -0.12 -4.64 117.12 115.97 1xmj n MET 595 Ca 0.23 -3.09 0.19 0.00 -1.81 0.00 0.00 57.70 53.23 1xmj n MET 595 Cb 0.69 -2.16 0.61 0.00 -0.71 0.00 0.00 33.22 31.65 1xmj n MET 595 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xmj h ALA 596 N 3.35 2.38 -0.60 3.04 0.00 -1.32 -1.32 119.26 124.79 1xmj h ALA 596 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xmj h ALA 596 Cb 1.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1xmj h ALA 596 CO 0.43 -0.57 0.00 0.09 0.00 0.00 0.00 179.25 179.21 1xmj n ASN 597 N -4.41 4.10 -4.85 0.00 3.02 -1.26 -4.68 115.26 107.18 1xmj n ASN 597 Ca 0.13 -2.24 -0.29 0.00 -0.03 0.00 0.00 54.58 52.15 1xmj n ASN 597 Cb 0.62 -0.48 -0.05 0.00 -0.61 0.00 0.00 39.78 39.26 1xmj n ASN 597 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1xmj s LYS 598 N -1.45 3.12 -0.32 3.52 -0.14 -0.50 -4.27 119.74 119.69 1xmj s LYS 598 Ca 0.45 -0.66 -0.24 0.00 -1.36 0.00 0.00 55.97 54.15 1xmj s LYS 598 Cb 0.27 -2.82 0.01 0.00 -1.68 0.00 0.00 37.83 33.60 1xmj s LYS 598 CO 0.25 0.55 0.83 0.99 -0.76 0.00 0.00 175.35 177.21 1xmj s THR 599 N -1.58 4.73 0.02 2.17 2.01 -1.25 -3.56 115.64 118.19 1xmj s THR 599 Ca 0.32 1.20 0.02 0.00 0.31 0.00 0.00 61.69 63.53 1xmj s THR 599 Cb -0.12 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.17 1xmj s THR 599 CO 0.25 -0.33 -0.06 0.00 -0.69 0.00 0.00 174.62 173.79 1xmj s ARG 600 N 3.10 0.43 -0.14 4.92 1.70 -0.96 -1.00 118.95 127.00 1xmj s ARG 600 Ca 0.34 -0.51 0.01 0.00 -0.47 0.00 0.00 55.73 55.10 1xmj s ARG 600 Cb -0.14 -0.25 -0.00 0.00 -0.57 0.00 0.00 34.95 34.00 1xmj s ARG 600 CO 0.14 0.05 -0.18 0.42 -1.08 0.00 0.00 175.30 174.65 1xmj s ILE 601 N -0.92 2.46 -0.19 4.99 1.01 0.58 -1.80 121.20 127.33 1xmj s ILE 601 Ca -0.07 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 1xmj s ILE 601 Cb -0.07 -2.01 -0.00 0.00 0.01 0.00 0.00 42.46 40.39 1xmj s ILE 601 CO 0.00 0.53 -0.10 -0.22 0.00 0.00 0.00 174.94 175.15 1xmj s LEU 602 N 0.69 2.64 -0.16 2.97 2.96 0.22 -0.41 118.68 127.59 1xmj s LEU 602 Ca -0.08 -0.46 -0.23 0.00 -0.22 0.00 0.00 54.13 53.13 1xmj s LEU 602 Cb -0.16 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 1xmj s LEU 602 CO 0.02 0.01 0.74 -0.69 -1.32 0.00 0.00 176.35 175.11 1xmj s VAL 603 N 1.25 4.96 0.09 1.68 1.01 0.05 0.08 120.40 129.52 1xmj s VAL 603 Ca 0.03 1.45 -0.13 0.00 0.00 0.00 0.00 61.98 63.32 1xmj s VAL 603 Cb -0.14 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.20 1xmj s VAL 603 CO -0.05 0.10 0.31 0.28 0.00 0.00 0.00 175.10 175.74 1xmj s THR 604 N 1.83 0.09 -0.05 3.92 -1.32 -0.42 -1.47 115.64 118.22 1xmj s THR 604 Ca 0.35 -0.78 0.08 0.00 -1.21 0.00 0.00 61.69 60.13 1xmj s THR 604 Cb -0.16 -1.14 0.12 0.00 -1.51 0.00 0.00 72.50 69.80 1xmj s THR 604 CO 0.13 -0.43 1.06 -1.54 -2.21 0.00 0.00 174.62 171.63 1xmj n SER 605 N 0.09 2.13 -4.62 8.08 3.41 -1.26 -4.16 113.62 117.29 1xmj n SER 605 Ca -0.17 -2.45 -0.39 0.00 -0.26 0.00 0.00 58.87 55.61 1xmj n SER 605 Cb 0.62 -0.18 -0.08 0.00 -0.26 0.00 0.00 64.21 64.31 1xmj n SER 605 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1xmj s LYS 606 N -1.77 4.06 0.24 4.33 2.47 -1.26 -4.92 119.74 122.89 1xmj s LYS 606 Ca 0.13 0.16 -0.05 0.00 -1.56 0.00 0.00 55.97 54.65 1xmj s LYS 606 Cb 0.12 -3.63 0.24 0.00 -1.46 0.00 0.00 37.83 33.09 1xmj s LYS 606 CO 0.01 -0.25 1.79 0.52 0.16 0.00 0.00 175.35 177.58 1xmj h MET 607 N 7.96 1.06 -0.93 4.03 2.86 -1.94 -2.22 114.93 125.76 1xmj h MET 607 Ca -0.32 -0.21 0.14 0.00 -2.06 0.00 0.00 59.70 57.26 1xmj h MET 607 Cb 1.16 -0.16 -0.08 0.00 0.06 0.00 0.00 31.60 32.57 1xmj h MET 607 CO 0.68 0.90 0.59 1.49 1.06 0.00 0.00 176.91 181.63 1xmj h GLU 608 N 1.03 0.74 -0.43 1.72 4.81 -1.98 0.21 114.58 120.68 1xmj h GLU 608 Ca 0.23 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.29 1xmj h GLU 608 Cb 0.27 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1xmj h GLU 608 CO -0.01 0.49 -0.21 0.45 -0.73 0.00 0.00 179.01 179.00 1xmj h HIS 609 N 0.76 0.98 -0.37 0.92 3.86 -1.83 -2.26 115.15 117.22 1xmj h HIS 609 Ca 0.47 -0.23 -0.02 0.00 -1.16 0.00 0.00 60.37 59.44 1xmj h HIS 609 Cb 0.69 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 1xmj h HIS 609 CO -0.00 0.99 0.15 -0.07 0.86 0.00 0.00 177.93 179.86 1xmj h LEU 610 N 0.75 0.50 -1.86 2.43 4.07 -0.94 -1.98 115.31 118.28 1xmj h LEU 610 Ca 0.10 -0.16 0.12 0.00 0.08 0.00 0.00 57.88 58.02 1xmj h LEU 610 Cb 0.75 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.33 1xmj h LEU 610 CO 0.06 0.52 0.35 0.50 -1.08 0.00 0.00 178.44 178.79 1xmj h LYS 611 N 0.45 0.15 0.00 1.13 3.64 -0.47 -2.70 116.57 118.78 1xmj h LYS 611 Ca 0.12 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1xmj h LYS 611 Cb 0.17 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1xmj h LYS 611 CO -0.01 0.10 -1.36 1.63 -2.27 0.00 0.00 179.45 177.54 1xmj n LYS 612 N -4.44 0.55 -1.20 1.90 4.01 -0.87 -4.91 118.16 113.20 1xmj n LYS 612 Ca 0.08 -0.02 -0.31 0.00 -0.51 0.00 0.00 58.31 57.56 1xmj n LYS 612 Cb 0.46 -1.66 0.10 0.00 -0.51 0.00 0.00 35.03 33.42 1xmj n LYS 612 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1xmj s ALA 613 N -3.38 2.10 0.00 7.82 0.00 -0.77 -4.97 121.76 122.57 1xmj s ALA 613 Ca -0.02 0.25 -0.20 0.00 0.00 0.00 0.00 51.96 51.99 1xmj s ALA 613 Cb 0.12 -3.28 -0.21 0.00 0.00 0.00 0.00 23.12 19.75 1xmj s ALA 613 CO 0.84 -1.92 1.13 -0.44 0.00 0.00 0.00 175.76 175.37 1xmj h ASP 614 N -1.24 0.47 -4.69 0.00 3.32 -1.63 -3.46 116.42 109.19 1xmj h ASP 614 Ca -0.44 -0.71 -0.28 0.00 0.02 0.00 0.00 57.03 55.62 1xmj h ASP 614 Cb 1.24 -0.14 -0.20 0.00 0.22 0.00 0.00 39.33 40.45 1xmj h ASP 614 CO 0.51 1.12 -0.73 -0.54 -1.72 0.00 0.00 179.24 177.87 1xmj s LYS 615 N -3.39 0.62 0.20 3.56 -0.14 -1.09 -4.68 119.74 114.83 1xmj s LYS 615 Ca -0.14 -0.90 0.10 0.00 -1.36 0.00 0.00 55.97 53.67 1xmj s LYS 615 Cb 0.04 -0.32 -0.04 0.00 -1.68 0.00 0.00 37.83 35.82 1xmj s LYS 615 CO 0.80 0.05 -0.16 0.96 -0.76 0.00 0.00 175.35 176.24 1xmj s ILE 616 N -1.87 2.81 -0.08 2.17 -4.36 0.77 -1.87 121.20 118.78 1xmj s ILE 616 Ca -0.04 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.45 1xmj s ILE 616 Cb -0.07 -2.40 0.02 0.00 1.25 0.00 0.00 42.46 41.27 1xmj s ILE 616 CO -0.00 -0.16 -0.06 -0.22 0.24 0.00 0.00 174.94 174.73 1xmj s LEU 617 N -2.90 1.19 -0.25 0.37 0.20 -0.44 -2.46 118.68 114.39 1xmj s LEU 617 Ca 0.24 -0.22 -0.07 0.00 0.69 0.00 0.00 54.13 54.77 1xmj s LEU 617 Cb -0.08 -0.68 -0.03 0.00 -0.43 0.00 0.00 46.19 44.97 1xmj s LEU 617 CO 0.13 -0.09 0.07 -0.63 -0.29 0.00 0.00 176.35 175.54 1xmj s ILE 618 N 1.39 4.32 0.03 6.68 -1.09 -0.01 -1.25 121.20 131.26 1xmj s ILE 618 Ca -0.02 -0.17 0.02 0.00 -2.23 0.00 0.00 60.65 58.25 1xmj s ILE 618 Cb -0.13 -3.02 -0.04 0.00 -1.58 0.00 0.00 42.46 37.69 1xmj s ILE 618 CO -0.04 0.34 0.02 -0.76 -1.23 0.00 0.00 174.94 173.28 1xmj s LEU 619 N 1.60 3.59 -0.28 2.97 1.02 -0.22 -0.61 118.68 126.74 1xmj s LEU 619 Ca 0.06 -0.03 -0.12 0.00 0.02 0.00 0.00 54.13 54.07 1xmj s LEU 619 Cb -0.15 -2.15 0.11 0.00 0.02 0.00 0.00 46.19 44.02 1xmj s LEU 619 CO 0.04 0.24 0.64 -2.28 0.02 0.00 0.00 176.35 175.01 1xmj s HIS 620 N -1.19 -1.21 -1.35 0.29 5.65 -0.59 -2.59 115.29 114.30 1xmj s HIS 620 Ca 0.23 2.20 -0.05 0.00 0.25 0.00 0.00 55.06 57.68 1xmj s HIS 620 Cb -0.12 0.71 0.00 0.00 -1.18 0.00 0.00 32.58 31.99 1xmj s HIS 620 CO 0.14 -0.61 0.49 0.39 -0.65 0.00 0.00 174.74 174.50 1xmj n GLU 621 N 5.06 -2.81 0.00 2.88 1.02 -1.26 -2.43 120.64 123.11 1xmj n GLU 621 Ca -0.15 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1xmj n GLU 621 Cb 0.52 -4.38 0.00 0.00 -0.02 0.00 0.00 31.44 27.57 1xmj n GLU 621 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xmj n GLY 622 N -1.94 3.05 3.67 0.62 0.00 -0.58 -4.89 105.19 105.12 1xmj n GLY 622 Ca -0.27 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 1xmj n GLY 622 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xmj s SER 623 N -0.87 4.75 -0.14 1.61 1.04 -1.02 -1.18 113.70 117.90 1xmj s SER 623 Ca 0.00 -0.50 -0.25 0.00 0.48 0.00 0.00 55.95 55.68 1xmj s SER 623 Cb 0.00 -0.98 -0.02 0.00 0.10 0.00 0.00 66.02 65.12 1xmj s SER 623 CO 0.00 0.03 0.83 -0.55 0.98 0.00 0.00 173.24 174.52 1xmj s SER 624 N -3.42 7.00 -0.01 7.02 0.15 -1.26 -1.54 113.70 121.64 1xmj s SER 624 Ca 0.30 1.22 0.15 0.00 0.70 0.00 0.00 55.95 58.32 1xmj s SER 624 Cb -0.08 -2.46 -0.20 0.00 -1.71 0.00 0.00 66.02 61.57 1xmj s SER 624 CO 0.20 -0.34 0.46 -1.22 1.20 0.00 0.00 173.24 173.54 1xmj n TYR 625 N 4.88 0.00 -3.70 3.44 4.02 0.21 -4.94 117.16 121.07 1xmj n TYR 625 Ca 0.04 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.80 1xmj n TYR 625 Cb 0.49 -0.19 -0.09 0.00 -0.02 0.00 0.00 39.34 39.52 1xmj n TYR 625 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 1xmj s PHE 626 N -2.77 -0.57 -0.02 -0.72 5.36 -1.22 -4.98 117.98 113.06 1xmj s PHE 626 Ca -0.01 1.33 -0.00 0.00 -0.96 0.00 0.00 56.93 57.29 1xmj s PHE 626 Cb 0.10 0.22 0.03 0.00 -0.34 0.00 0.00 43.02 43.03 1xmj s PHE 626 CO 0.62 -0.28 0.03 -0.47 -1.46 0.00 0.00 175.22 173.66 1xmj s TYR 627 N 0.52 0.06 -5.00 10.12 5.04 -1.26 -0.83 117.35 125.99 1xmj s TYR 627 Ca -0.02 0.12 0.00 0.00 -2.44 0.00 0.00 57.07 54.73 1xmj s TYR 627 Cb -0.04 -0.27 0.00 0.00 0.35 0.00 0.00 41.96 42.00 1xmj s TYR 627 CO -0.03 -0.10 0.00 0.41 -1.34 0.00 0.00 175.55 174.50 1xmj n GLY 628 N 4.23 0.02 3.95 8.97 0.00 -1.03 -5.01 105.19 116.33 1xmj n GLY 628 Ca -0.27 -1.16 -0.25 0.00 0.00 0.00 0.00 46.02 44.35 1xmj n GLY 628 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xmj s THR 629 N -3.86 5.29 0.22 2.61 -4.23 -1.26 -0.16 115.64 114.25 1xmj s THR 629 Ca 0.00 -0.74 -0.08 0.00 -1.18 0.00 0.00 61.69 59.69 1xmj s THR 629 Cb 0.00 -3.78 0.16 0.00 1.34 0.00 0.00 72.50 70.22 1xmj s THR 629 CO 0.00 -0.18 1.79 0.15 -0.54 0.00 0.00 174.62 175.83 1xmj h PHE 630 N 1.80 0.63 -0.73 3.99 3.57 -1.89 0.25 116.94 124.56 1xmj h PHE 630 Ca -0.50 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.00 1xmj h PHE 630 Cb 1.21 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 1xmj h PHE 630 CO 0.51 0.25 0.32 0.77 -2.23 0.00 0.00 178.31 177.93 1xmj h SER 631 N 0.61 0.97 -0.66 0.41 0.02 -1.93 -1.94 113.55 111.02 1xmj h SER 631 Ca 0.33 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 61.10 1xmj h SER 631 Cb 0.30 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 1xmj h SER 631 CO -0.24 0.84 0.22 -0.08 -1.14 0.00 0.00 176.83 176.43 1xmj h GLU 632 N 1.04 1.02 -0.79 3.45 4.81 -1.57 -2.90 114.58 119.65 1xmj h GLU 632 Ca 0.25 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1xmj h GLU 632 Cb 0.15 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1xmj h GLU 632 CO -0.03 0.89 0.31 1.25 -0.73 0.00 0.00 179.01 180.70 1xmj h LEU 633 N 0.96 1.09 -1.75 1.64 5.85 -0.04 -1.76 115.31 121.29 1xmj h LEU 633 Ca 0.22 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1xmj h LEU 633 Cb 0.28 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1xmj h LEU 633 CO -0.01 0.97 -0.14 -0.61 -0.34 0.00 0.00 178.44 178.31 1xmj h GLN 634 N 1.15 0.00 0.08 1.25 4.15 -1.17 0.67 115.11 121.24 1xmj h GLN 634 Ca 0.26 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.36 1xmj h GLN 634 Cb 0.22 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 1xmj h GLN 634 CO -0.02 0.14 -1.75 -0.97 -1.93 0.00 0.00 178.83 174.29 1xmj h ASN 635 N 0.00 0.27 0.74 -0.69 -0.73 -1.29 -3.14 115.58 110.75 1xmj h ASN 635 Ca -0.00 -0.52 -0.23 0.00 1.87 0.00 0.00 56.30 57.42 1xmj h ASN 635 Cb 0.25 -0.09 -0.04 0.00 0.27 0.00 0.00 38.32 38.71 1xmj h ASN 635 CO 0.02 1.45 -1.37 0.25 -0.37 0.00 0.00 177.43 177.41 1xmj h LEU 636 N 0.05 0.00 -5.97 0.34 6.46 -1.11 -3.38 115.31 111.69 1xmj h LEU 636 Ca -0.32 0.00 -0.56 0.00 -0.12 0.00 0.00 57.88 56.88 1xmj h LEU 636 Cb 2.02 0.00 -0.40 0.00 -0.73 0.00 0.00 40.66 41.55 1xmj h LEU 636 CO 0.11 0.87 -0.95 0.00 -0.62 0.00 0.00 178.44 177.85 1xmj n GLN 637 N -3.10 1.47 0.07 1.25 1.13 0.21 -4.97 117.38 113.44 1xmj n GLN 637 Ca -0.10 -3.78 0.03 0.00 -1.94 0.00 0.00 57.00 51.21 1xmj n GLN 637 Cb 0.95 -1.67 0.40 0.00 0.11 0.00 0.00 30.24 30.03 1xmj n GLN 637 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1xmj h PRO 638 N 3.74 0.36 -0.03 -1.09 0.13 -1.72 -0.48 132.00 132.92 1xmj h PRO 638 Ca 0.11 -0.06 -0.24 0.00 -0.87 0.00 0.00 66.00 64.94 1xmj h PRO 638 Cb 0.80 -0.06 0.01 0.00 0.13 0.00 0.00 31.00 31.88 1xmj h PRO 638 CO 0.60 0.38 -0.95 0.22 -0.23 0.00 0.00 178.00 178.02 1xmj h ASP 639 N 0.35 0.75 -0.54 1.44 -0.00 -1.93 0.06 116.42 116.54 1xmj h ASP 639 Ca 0.08 -0.57 -0.01 0.00 -0.00 0.00 0.00 57.03 56.53 1xmj h ASP 639 Cb 0.23 -0.23 -0.03 0.00 -0.00 0.00 0.00 39.33 39.31 1xmj h ASP 639 CO 0.00 1.37 0.31 0.15 -0.00 0.00 0.00 179.24 181.08 1xmj h PHE 640 N 0.35 0.74 -0.60 0.28 3.04 -1.89 -2.59 116.94 116.26 1xmj h PHE 640 Ca -0.09 -0.01 -0.10 0.00 3.98 0.00 0.00 57.97 61.75 1xmj h PHE 640 Cb 1.59 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 39.84 1xmj h PHE 640 CO 0.08 0.53 -0.01 0.77 -2.02 0.00 0.00 178.31 177.66 1xmj h SER 641 N 0.73 1.05 -0.28 0.41 0.02 -1.06 -2.98 113.55 111.44 1xmj h SER 641 Ca 0.19 -0.31 0.05 0.00 -0.84 0.00 0.00 61.79 60.89 1xmj h SER 641 Cb 0.02 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 1xmj h SER 641 CO -0.03 1.10 0.19 -1.28 -1.14 0.00 0.00 176.83 175.67 1xmj h SER 642 N 0.96 0.13 0.26 3.07 0.87 -0.72 -0.59 113.55 117.52 1xmj h SER 642 Ca 0.17 -0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.59 1xmj h SER 642 Cb 0.57 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 1xmj h SER 642 CO 0.03 0.09 -0.53 0.11 -0.53 0.00 0.00 176.83 176.00 1xmj h LYS 643 N 0.15 0.30 -0.89 2.24 6.56 -1.31 -3.25 116.57 120.37 1xmj h LYS 643 Ca 0.13 -0.18 -0.33 0.00 -1.06 0.00 0.00 60.65 59.21 1xmj h LYS 643 Cb 0.31 0.02 -0.20 0.00 -0.57 0.00 0.00 32.23 31.79 1xmj h LYS 643 CO -0.02 0.76 0.42 1.28 -2.06 0.00 0.00 179.45 179.82 1xmj n LEU 644 N -3.94 6.06 -3.43 2.94 4.77 -0.24 -5.00 117.00 118.16 1xmj n LEU 644 Ca -0.02 -3.19 -0.07 0.00 -0.03 0.00 0.00 56.01 52.70 1xmj n LEU 644 Cb 0.57 -0.77 -0.07 0.00 -2.33 0.00 0.00 43.42 40.82 1xmj n LEU 644 CO 0.44 0.87 0.01 -0.04 -1.33 0.00 0.00 177.39 177.35 1xmj s MET 645 N -2.86 0.38 0.00 3.23 -1.94 -1.15 -4.74 119.30 112.22 1xmj s MET 645 Ca 0.51 0.79 0.00 0.00 -1.71 0.00 0.00 55.69 55.27 1xmj s MET 645 Cb 0.42 -0.04 0.00 0.00 2.01 0.00 0.00 34.83 37.21 1xmj s MET 645 CO 0.11 -0.50 0.00 0.43 -0.01 0.00 0.00 175.02 175.05 1xmj n SER 649 N 5.38 0.00 -0.26 3.03 7.64 -1.26 -4.88 113.62 123.27 1xmj n SER 649 Ca -0.05 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.88 1xmj n SER 649 Cb 0.50 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.89 1xmj n SER 649 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1xmj h PHE 650 N 0.11 0.60 0.00 1.43 3.57 -1.95 -1.31 116.94 119.40 1xmj h PHE 650 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1xmj h PHE 650 Cb 0.00 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.59 1xmj h PHE 650 CO 0.00 0.13 0.00 -0.25 -2.23 0.00 0.00 178.31 175.96 1xmj n ASP 651 N -4.94 0.50 -0.05 0.41 9.92 -1.26 -1.57 116.55 119.56 1xmj n ASP 651 Ca 0.14 0.64 0.14 0.00 -0.53 0.00 0.00 54.79 55.17 1xmj n ASP 651 Cb 0.39 -0.74 0.53 0.00 -0.64 0.00 0.00 41.12 40.67 1xmj n ASP 651 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xmj n GLN 652 N -2.07 0.29 -1.76 -1.24 6.02 -0.49 -4.85 117.38 113.28 1xmj n GLN 652 Ca 0.02 -0.09 -0.31 0.00 -0.01 0.00 0.00 57.00 56.61 1xmj n GLN 652 Cb 0.19 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 29.98 1xmj n GLN 652 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1xmj s PHE 653 N -2.77 3.27 0.99 1.08 2.99 -0.61 -5.05 117.98 117.88 1xmj s PHE 653 Ca 0.20 1.40 -0.12 0.00 0.00 0.00 0.00 56.93 58.41 1xmj s PHE 653 Cb 0.19 -2.84 0.19 0.00 0.00 0.00 0.00 43.02 40.55 1xmj s PHE 653 CO 0.55 -1.01 1.08 -1.54 -0.00 0.00 0.00 175.22 174.30 1xmj s SER 654 N -3.74 2.54 0.22 1.36 1.04 -1.26 -4.74 113.70 109.13 1xmj s SER 654 Ca 0.58 1.51 -0.08 0.00 0.48 0.00 0.00 55.95 58.43 1xmj s SER 654 Cb -0.13 -2.18 0.25 0.00 0.10 0.00 0.00 66.02 64.06 1xmj s SER 654 CO 0.51 -3.23 1.84 0.00 0.98 0.00 0.00 173.24 173.34 1xmj h ALA 655 N -1.95 0.99 -0.42 5.32 0.00 -1.96 0.21 119.26 121.45 1xmj h ALA 655 Ca -0.53 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1xmj h ALA 655 Cb 1.31 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1xmj h ALA 655 CO 0.53 0.18 0.17 0.93 0.00 0.00 0.00 179.25 181.06 1xmj h GLU 656 N 0.84 0.62 -0.24 0.00 5.08 -1.99 -1.67 114.58 117.22 1xmj h GLU 656 Ca 0.31 -0.11 -0.17 0.00 -1.00 0.00 0.00 59.36 58.39 1xmj h GLU 656 Cb 0.11 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1xmj h GLU 656 CO -0.15 0.58 -0.54 -0.09 -1.00 0.00 0.00 179.01 177.81 1xmj h ARG 657 N 0.53 0.70 -0.53 2.33 9.65 -1.79 -1.26 114.38 124.01 1xmj h ARG 657 Ca 0.14 -0.44 -0.03 0.00 -1.10 0.00 0.00 59.98 58.55 1xmj h ARG 657 Cb 0.19 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.80 1xmj h ARG 657 CO -0.01 1.06 0.22 0.00 2.80 0.00 0.00 179.97 184.04 1xmj h ARG 658 N 0.54 0.78 -0.06 0.20 3.08 -0.88 0.12 114.38 118.15 1xmj h ARG 658 Ca 0.01 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 59.84 1xmj h ARG 658 Cb 1.11 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 1xmj h ARG 658 CO 0.11 0.67 -0.39 -0.91 -1.07 0.00 0.00 179.97 178.38 1xmj h ASN 659 N 0.71 0.14 -0.30 7.04 2.35 -1.23 0.68 115.58 124.96 1xmj h ASN 659 Ca 0.18 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.78 1xmj h ASN 659 Cb 0.17 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1xmj h ASN 659 CO -0.02 0.52 -0.18 0.28 -1.65 0.00 0.00 177.43 176.39 1xmj h SER 660 N 0.11 0.68 -0.36 5.81 0.02 -0.77 -1.57 113.55 117.48 1xmj h SER 660 Ca 0.01 -0.42 -0.03 0.00 -0.84 0.00 0.00 61.79 60.51 1xmj h SER 660 Cb 0.75 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1xmj h SER 660 CO 0.06 0.96 0.11 0.40 -1.14 0.00 0.00 176.83 177.22 1xmj h ILE 661 N 0.41 1.21 -0.18 3.27 2.04 -0.47 -1.78 117.51 122.01 1xmj h ILE 661 Ca 0.06 -0.68 0.04 0.00 1.00 0.00 0.00 64.86 65.28 1xmj h ILE 661 Cb 0.72 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 1xmj h ILE 661 CO 0.05 0.24 -0.07 0.25 0.00 0.00 0.00 178.15 178.62 1xmj h LEU 662 N 0.43 -0.24 -0.33 1.44 6.46 -0.86 -1.28 115.31 120.94 1xmj h LEU 662 Ca 0.12 0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.95 1xmj h LEU 662 Cb 0.25 0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 1xmj h LEU 662 CO -0.00 -0.09 0.20 0.74 -0.62 0.00 0.00 178.44 178.67 1xmj h THR 663 N -0.04 1.05 -0.65 1.05 2.02 -1.18 0.02 112.91 115.19 1xmj h THR 663 Ca 0.10 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1xmj h THR 663 Cb 0.18 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 1xmj h THR 663 CO -0.21 0.07 0.36 -0.33 0.37 0.00 0.00 175.52 175.79 1xmj h GLU 664 N 0.41 0.90 -0.54 6.66 5.08 -1.12 0.26 114.58 126.23 1xmj h GLU 664 Ca 0.13 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 1xmj h GLU 664 Cb -0.01 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1xmj h GLU 664 CO -0.05 0.67 -0.13 1.15 -1.00 0.00 0.00 179.01 179.65 1xmj h THR 665 N 0.88 1.27 -0.39 1.13 2.02 -0.93 -3.06 112.91 113.82 1xmj h THR 665 Ca 0.23 -1.29 -0.11 0.00 0.77 0.00 0.00 66.41 66.01 1xmj h THR 665 Cb 0.02 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1xmj h THR 665 CO -0.04 0.46 -0.20 -0.07 0.37 0.00 0.00 175.52 176.04 1xmj h LEU 666 N 0.91 0.77 -2.66 2.58 4.07 -0.64 -1.72 115.31 118.62 1xmj h LEU 666 Ca 0.14 -0.26 0.01 0.00 0.08 0.00 0.00 57.88 57.84 1xmj h LEU 666 Cb 0.70 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.23 1xmj h LEU 666 CO 0.05 0.95 0.09 0.03 -1.08 0.00 0.00 178.44 178.48 1xmj h ARG 667 N 0.67 0.00 0.00 1.13 3.08 -0.86 -0.44 114.38 117.97 1xmj h ARG 667 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1xmj h ARG 667 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1xmj h ARG 667 CO 0.05 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.49 1xmj n ARG 668 N -3.22 0.14 -2.47 0.04 1.74 -0.65 -4.20 116.66 108.04 1xmj n ARG 668 Ca -0.02 0.45 -0.41 0.00 -0.77 0.00 0.00 57.85 57.10 1xmj n ARG 668 Cb 0.16 -1.81 -0.01 0.00 -1.02 0.00 0.00 32.46 29.78 1xmj n ARG 668 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1xmj n PHE 669 N -2.07 4.33 -3.51 -1.55 3.72 -0.18 -4.82 117.46 113.38 1xmj n PHE 669 Ca 0.01 -2.62 -0.02 0.00 -0.05 0.00 0.00 57.45 54.77 1xmj n PHE 669 Cb 0.16 -2.63 0.01 0.00 -0.94 0.00 0.00 39.48 36.08 1xmj n PHE 669 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1xmj n SER 670 N 9.31 -0.84 -1.03 4.37 3.41 -1.26 -5.03 113.62 122.55 1xmj n SER 670 Ca 0.48 -1.51 0.12 0.00 -0.26 0.00 0.00 58.87 57.71 1xmj n SER 670 Cb 0.46 1.38 0.22 0.00 -0.26 0.00 0.00 64.21 66.01 1xmj n SER 670 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xmj n LEU 671 N 0.00 3.11 -4.95 1.04 4.77 -1.26 -5.01 117.00 114.70 1xmj n LEU 671 Ca -0.02 -1.27 -0.25 0.00 -0.03 0.00 0.00 56.01 54.44 1xmj n LEU 671 Cb 0.25 -0.18 0.08 0.00 -2.33 0.00 0.00 43.42 41.24 1xmj n LEU 671 CO 0.10 0.64 0.57 -1.61 -1.33 0.00 0.00 177.39 175.76 1xmj s GLU 672 N -1.64 2.08 -0.22 3.23 8.01 -1.26 -5.08 118.70 123.82 1xmj s GLU 672 Ca 0.36 -0.51 -0.09 0.00 0.01 0.00 0.00 54.97 54.74 1xmj s GLU 672 Cb 0.22 -2.24 -0.04 0.00 -4.31 0.00 0.00 34.13 27.75 1xmj s GLU 672 CO 0.31 -1.24 0.10 0.20 0.01 0.00 0.00 175.26 174.64 1xmj s GLY 673 N -4.56 1.90 0.54 -1.39 0.00 -1.26 -5.09 107.32 97.47 1xmj s GLY 673 Ca 0.61 -0.89 -0.07 0.00 0.00 0.00 0.00 44.72 44.38 1xmj s GLY 673 CO 0.44 0.29 0.88 0.99 0.00 0.00 0.00 173.10 175.70 1xmj s ASP 674 N 0.91 6.11 0.00 1.64 1.11 -1.26 -5.21 116.67 119.97 1xmj s ASP 674 Ca 0.05 1.03 0.00 0.00 0.18 0.00 0.00 52.55 53.81 1xmj s ASP 674 Cb -0.13 -2.20 0.00 0.00 1.07 0.00 0.00 42.92 41.65 1xmj s ASP 674 CO 0.03 -0.76 0.00 0.00 1.18 0.00 0.00 175.17 175.62