#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jmm n LYS 465 N 0.00 0.90 -0.27 -1.09 2.85 -1.26 -3.43 118.16 115.86 1jmm n LYS 465 Ca 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1jmm n LYS 465 Cb 0.00 -1.40 0.12 0.00 -0.65 0.00 0.00 35.03 33.10 1jmm n LYS 465 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1jmm h ASP 466 N 0.00 0.67 0.02 -5.58 5.19 -2.02 -0.28 116.42 114.41 1jmm h ASP 466 Ca 0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1jmm h ASP 466 Cb 0.00 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.40 1jmm h ASP 466 CO 0.00 0.42 0.00 -0.07 -3.12 0.00 0.00 179.24 176.47 1jmm h LEU 467 N 0.80 0.00 0.00 1.55 3.38 -1.98 1.31 115.31 120.36 1jmm h LEU 467 Ca 0.34 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.02 1jmm h LEU 467 Cb 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1jmm h LEU 467 CO -0.19 0.00 -1.70 0.00 0.09 0.00 0.00 178.44 176.65 1jmm n ALA 468 N -2.00 1.52 -0.03 1.53 0.00 -0.15 -4.19 120.51 117.19 1jmm n ALA 468 Ca -0.02 -0.76 -0.06 0.00 0.00 0.00 0.00 53.44 52.60 1jmm n ALA 468 Cb 0.07 -0.85 -0.13 0.00 0.00 0.00 0.00 19.45 18.53 1jmm n ALA 468 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jmm n ASP 469 N -3.03 0.57 -0.34 0.00 8.00 -0.37 -4.32 116.55 117.05 1jmm n ASP 469 Ca -0.17 0.26 0.14 0.00 0.71 0.00 0.00 54.79 55.74 1jmm n ASP 469 Cb 1.04 0.42 0.33 0.00 -0.02 0.00 0.00 41.12 42.89 1jmm n ASP 469 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1jmm h TYR 470 N 0.00 1.00 -0.18 1.24 5.03 0.15 -2.21 116.97 122.00 1jmm h TYR 470 Ca -0.31 0.04 0.05 0.00 2.58 0.00 0.00 58.73 61.08 1jmm h TYR 470 Cb 1.91 -0.29 -0.05 0.00 1.55 0.00 0.00 36.73 39.85 1jmm h TYR 470 CO 0.00 0.15 -0.16 -1.35 -1.32 0.00 0.00 178.16 175.49 1jmm h PRO 471 N 0.67 -0.17 -0.04 1.82 0.11 -1.76 -0.22 132.00 132.42 1jmm h PRO 471 Ca 0.59 0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.60 1jmm h PRO 471 Cb 1.00 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1jmm h PRO 471 CO -0.42 -0.11 -0.50 -0.39 -0.21 0.00 0.00 178.00 176.36 1jmm h VAL 472 N -0.17 1.36 -0.11 3.15 -1.51 -1.71 -2.68 116.25 114.57 1jmm h VAL 472 Ca 0.11 -1.74 -0.02 0.00 -1.23 0.00 0.00 66.70 63.82 1jmm h VAL 472 Cb 0.34 1.90 -0.00 0.00 -2.13 0.00 0.00 31.29 31.39 1jmm h VAL 472 CO -0.28 0.50 -0.01 0.11 -1.23 0.00 0.00 177.57 176.66 1jmm h LYS 473 N 0.08 0.20 -0.29 5.19 1.57 -0.95 -1.36 116.57 121.01 1jmm h LYS 473 Ca 0.00 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1jmm h LYS 473 Cb 0.92 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1jmm h LYS 473 CO 0.07 0.47 0.01 1.25 -0.57 0.00 0.00 179.45 180.68 1jmm h LEU 474 N -0.10 0.40 -0.14 2.94 5.85 -1.04 -1.96 115.31 121.26 1jmm h LEU 474 Ca 0.03 -0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.54 1jmm h LEU 474 Cb 0.39 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1jmm h LEU 474 CO 0.01 0.46 -0.46 0.50 -0.34 0.00 0.00 178.44 178.60 1jmm h LYS 475 N 0.42 0.57 -0.85 1.25 3.64 -1.37 -0.33 116.57 119.90 1jmm h LYS 475 Ca 0.09 -0.42 -0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1jmm h LYS 475 Cb 0.26 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 1jmm h LYS 475 CO 0.01 1.04 0.52 0.00 -2.27 0.00 0.00 179.45 178.75 1jmm h ALA 476 N 0.53 1.31 0.42 5.00 0.00 -1.02 0.36 119.26 125.85 1jmm h ALA 476 Ca -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1jmm h ALA 476 Cb 1.09 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1jmm h ALA 476 CO 0.10 0.60 -0.20 -0.92 0.00 0.00 0.00 179.25 178.83 1jmm h TYR 477 N 1.18 -0.52 -0.96 0.00 3.20 -1.31 -1.89 116.97 116.66 1jmm h TYR 477 Ca 0.31 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.37 1jmm h TYR 477 Cb -0.06 0.17 -0.08 0.00 1.54 0.00 0.00 36.73 38.30 1jmm h TYR 477 CO 0.00 -0.32 0.62 0.93 -1.64 0.00 0.00 178.16 177.75 1jmm h GLU 478 N -0.73 0.51 0.67 1.82 5.08 -0.94 0.69 114.58 121.68 1jmm h GLU 478 Ca -0.06 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1jmm h GLU 478 Cb 0.43 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.57 1jmm h GLU 478 CO 0.09 0.34 -0.32 -0.44 -1.00 0.00 0.00 179.01 177.68 1jmm h ASP 479 N 0.53 -0.76 -0.21 1.42 5.19 -0.29 -0.42 116.42 121.88 1jmm h ASP 479 Ca 0.53 -0.01 0.02 0.00 -0.62 0.00 0.00 57.03 56.95 1jmm h ASP 479 Cb 1.14 0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.82 1jmm h ASP 479 CO -0.26 -0.44 0.05 -0.08 -3.12 0.00 0.00 179.24 175.39 1jmm h GLU 480 N -1.08 0.13 -0.60 3.56 4.81 -0.44 0.34 114.58 121.30 1jmm h GLU 480 Ca -0.09 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.25 1jmm h GLU 480 Cb 0.73 -0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.98 1jmm h GLU 480 CO 0.15 0.09 0.07 0.37 -0.73 0.00 0.00 179.01 178.96 1jmm h GLN 481 N 0.14 0.19 -0.12 1.92 5.75 0.37 0.39 115.11 123.74 1jmm h GLN 481 Ca 0.09 -0.01 -0.17 0.00 -0.15 0.00 0.00 58.65 58.41 1jmm h GLN 481 Cb 0.08 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 1jmm h GLN 481 CO -0.11 0.12 -0.63 0.00 -2.65 0.00 0.00 178.83 175.56 1jmm h ALA 482 N 1.51 0.67 -0.17 3.38 0.00 -0.58 -2.42 119.26 121.65 1jmm h ALA 482 Ca 0.32 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1jmm h ALA 482 Cb 0.50 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1jmm h ALA 482 CO -0.45 0.72 -0.16 1.03 0.00 0.00 0.00 179.25 180.39 1jmm h SER 483 N 0.33 0.27 -0.00 0.00 0.87 0.15 -2.34 113.55 112.83 1jmm h SER 483 Ca -0.01 -0.06 -0.26 0.00 -1.23 0.00 0.00 61.79 60.22 1jmm h SER 483 Cb 1.18 -0.07 0.02 0.00 -0.44 0.00 0.00 62.40 63.09 1jmm h SER 483 CO 0.11 0.46 -1.01 0.40 -0.53 0.00 0.00 176.83 176.26 1jmm h ILE 484 N 0.27 1.28 -0.62 2.23 2.04 -0.17 -2.82 117.51 119.72 1jmm h ILE 484 Ca 0.05 -2.22 -0.01 0.00 1.00 0.00 0.00 64.86 63.68 1jmm h ILE 484 Cb 0.45 2.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.83 1jmm h ILE 484 CO 0.03 0.69 0.36 0.50 0.00 0.00 0.00 178.15 179.73 1jmm h LYS 485 N 0.41 0.84 -0.45 2.37 3.64 -1.20 -1.17 116.57 121.01 1jmm h LYS 485 Ca -0.12 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.10 1jmm h LYS 485 Cb 1.66 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 33.29 1jmm h LYS 485 CO 0.20 0.62 -0.04 0.00 -2.27 0.00 0.00 179.45 177.96 1jmm h ALA 486 N 1.18 1.08 -0.58 5.00 0.00 -1.49 -2.25 119.26 122.19 1jmm h ALA 486 Ca 0.22 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1jmm h ALA 486 Cb -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1jmm h ALA 486 CO -0.04 0.57 0.05 0.00 0.00 0.00 0.00 179.25 179.83 1jmm h ALA 487 N 1.25 0.99 -0.40 0.00 0.00 -1.15 -1.95 119.26 118.01 1jmm h ALA 487 Ca 0.13 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1jmm h ALA 487 Cb 0.49 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1jmm h ALA 487 CO 0.02 0.63 -0.24 -0.07 0.00 0.00 0.00 179.25 179.59 1jmm h LEU 488 N 0.90 0.89 -1.48 0.00 3.38 -0.97 -0.85 115.31 117.19 1jmm h LEU 488 Ca 0.17 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1jmm h LEU 488 Cb 0.46 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1jmm h LEU 488 CO 0.02 1.12 -0.08 0.00 0.09 0.00 0.00 178.44 179.59 1jmm h ALA 489 N 0.80 1.58 -0.07 1.53 0.00 -1.25 -1.50 119.26 120.34 1jmm h ALA 489 Ca 0.08 -0.17 -0.24 0.00 0.00 0.00 0.00 54.91 54.59 1jmm h ALA 489 Cb 0.81 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1jmm h ALA 489 CO 0.07 0.31 -0.89 1.49 0.00 0.00 0.00 179.25 180.22 1jmm h GLU 490 N 0.23 0.67 0.00 0.00 4.57 -1.08 -3.16 114.58 115.81 1jmm h GLU 490 Ca 0.05 -0.63 -0.03 0.00 -1.18 0.00 0.00 59.36 57.57 1jmm h GLU 490 Cb 0.29 0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1jmm h GLU 490 CO 0.01 1.24 -0.17 -0.07 -1.18 0.00 0.00 179.01 178.84 1jmm h LEU 491 N 0.42 0.00 -1.96 1.64 3.38 -0.69 -3.18 115.31 114.92 1jmm h LEU 491 Ca -0.08 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.01 1jmm h LEU 491 Cb 1.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.26 1jmm h LEU 491 CO 0.17 0.17 0.45 -0.08 0.09 0.00 0.00 178.44 179.24 1jmm h GLU 492 N 0.00 0.00 -0.11 1.13 4.57 -1.25 0.18 114.58 119.10 1jmm h GLU 492 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1jmm h GLU 492 Cb 0.60 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1jmm h GLU 492 CO 0.02 0.00 0.00 0.36 -1.18 0.00 0.00 179.01 178.21 1jmm n LYS 493 N -3.69 2.33 -0.01 1.92 2.85 -1.20 -4.14 118.16 116.23 1jmm n LYS 493 Ca 0.07 -1.95 0.01 0.00 -1.05 0.00 0.00 58.31 55.40 1jmm n LYS 493 Cb 0.62 -1.47 0.01 0.00 -0.65 0.00 0.00 35.03 33.54 1jmm n LYS 493 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1jmm n HIS 494 N 1.31 0.01 0.32 5.58 8.25 0.56 -4.74 115.22 126.51 1jmm n HIS 494 Ca 0.16 -0.07 0.18 0.00 -0.26 0.00 0.00 57.72 57.73 1jmm n HIS 494 Cb 0.59 -0.01 0.96 0.00 1.12 0.00 0.00 29.99 32.65 1jmm n HIS 494 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1jmm h LYS 495 N 0.48 0.00 -0.63 -0.41 2.10 -1.50 0.15 116.57 116.76 1jmm h LYS 495 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1jmm h LYS 495 Cb 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 1jmm h LYS 495 CO 0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 1jmm n ASN 496 N -2.88 3.72 -4.89 7.07 5.03 -1.26 -4.00 115.26 118.04 1jmm n ASN 496 Ca -0.02 -2.02 -0.33 0.00 0.87 0.00 0.00 54.58 53.08 1jmm n ASN 496 Cb 0.21 -0.43 -0.05 0.00 -1.02 0.00 0.00 39.78 38.50 1jmm n ASN 496 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1jmm s GLU 497 N -1.04 3.59 0.07 3.52 2.02 0.04 -4.84 118.70 122.07 1jmm s GLU 497 Ca 0.42 -0.11 -0.36 0.00 0.02 0.00 0.00 54.97 54.94 1jmm s GLU 497 Cb 0.22 -3.00 -0.19 0.00 0.10 0.00 0.00 34.13 31.27 1jmm s GLU 497 CO 0.28 0.58 0.96 -0.25 0.02 0.00 0.00 175.26 176.85 1jmm n ASP 498 N 0.67 -0.09 0.00 -0.19 9.92 -1.26 -1.68 116.55 123.91 1jmm n ASP 498 Ca -0.07 1.15 0.00 0.00 -0.53 0.00 0.00 54.79 55.34 1jmm n ASP 498 Cb 0.52 -0.97 0.00 0.00 -0.64 0.00 0.00 41.12 40.03 1jmm n ASP 498 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jmm n GLY 499 N 1.73 0.97 3.87 0.44 0.00 -0.40 -4.93 105.19 106.87 1jmm n GLY 499 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1jmm n GLY 499 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jmm s ASN 500 N -2.94 6.34 0.06 1.61 0.01 -0.68 0.76 114.94 120.11 1jmm s ASN 500 Ca 0.00 0.45 -0.31 0.00 -0.71 0.00 0.00 52.86 52.30 1jmm s ASN 500 Cb 0.00 -2.04 -0.08 0.00 0.41 0.00 0.00 41.25 39.54 1jmm s ASN 500 CO 0.00 0.40 1.60 -0.76 -1.51 0.00 0.00 177.10 176.83 1jmm s LEU 501 N -1.06 4.36 0.46 0.60 1.43 -1.26 -0.20 118.68 123.01 1jmm s LEU 501 Ca 0.15 2.43 0.19 0.00 -1.03 0.00 0.00 54.13 55.87 1jmm s LEU 501 Cb -0.12 -3.57 1.15 0.00 0.03 0.00 0.00 46.19 43.69 1jmm s LEU 501 CO 0.04 -0.85 1.94 0.71 0.23 0.00 0.00 176.35 178.42 1jmm h THR 502 N 4.76 0.77 -3.56 5.49 1.35 -1.15 -3.16 112.91 117.41 1jmm h THR 502 Ca -0.42 -0.10 -0.71 0.00 -0.55 0.00 0.00 66.41 64.63 1jmm h THR 502 Cb 1.20 0.45 -0.34 0.00 -1.73 0.00 0.00 68.15 67.72 1jmm h THR 502 CO 0.92 0.05 -0.33 -1.61 -0.25 0.00 0.00 175.52 174.31 1jmm s GLU 503 N -5.30 2.63 0.10 4.72 2.02 -1.26 -4.89 118.70 116.72 1jmm s GLU 503 Ca -0.07 -2.45 -0.36 0.00 0.02 0.00 0.00 54.97 52.10 1jmm s GLU 503 Cb 0.21 -3.80 -0.17 0.00 0.10 0.00 0.00 34.13 30.47 1jmm s GLU 503 CO 0.76 -1.18 1.28 -2.30 0.02 0.00 0.00 175.26 173.83 1jmm n PRO 504 N 3.65 1.06 -3.52 0.39 -0.02 -1.20 -4.95 135.00 130.41 1jmm n PRO 504 Ca 0.07 0.38 -0.12 0.00 -2.02 0.00 0.00 63.50 61.81 1jmm n PRO 504 Cb 0.39 -1.98 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 1jmm n PRO 504 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1jmm s SER 505 N 0.33 -0.47 0.57 2.55 1.04 -1.26 -5.09 113.70 111.37 1jmm s SER 505 Ca 0.82 0.34 -0.05 0.00 0.48 0.00 0.00 55.95 57.54 1jmm s SER 505 Cb -0.95 0.42 0.01 0.00 0.10 0.00 0.00 66.02 65.60 1jmm s SER 505 CO 0.49 -0.56 0.86 0.00 0.98 0.00 0.00 173.24 175.01 1jmm s ALA 506 N -1.96 3.38 -0.36 5.32 0.00 -1.26 -4.51 121.76 122.37 1jmm s ALA 506 Ca -0.02 -0.76 -0.05 0.00 0.00 0.00 0.00 51.96 51.13 1jmm s ALA 506 Cb -0.01 -2.52 0.06 0.00 0.00 0.00 0.00 23.12 20.66 1jmm s ALA 506 CO -0.01 -0.72 0.14 -1.14 0.00 0.00 0.00 175.76 174.03 1jmm s GLN 507 N -4.91 2.47 0.00 0.00 2.00 -0.01 -4.79 119.66 114.41 1jmm s GLN 507 Ca 0.53 -1.38 0.27 0.00 -2.00 0.00 0.00 55.36 52.79 1jmm s GLN 507 Cb -0.10 -3.50 1.11 0.00 0.80 0.00 0.00 33.01 31.32 1jmm s GLN 507 CO 0.44 -0.80 1.78 0.27 -0.50 0.00 0.00 175.29 176.48 1jmm n ASN 508 N 4.76 1.31 -4.24 6.67 0.23 -1.26 -1.59 115.26 121.14 1jmm n ASN 508 Ca -0.10 -1.47 -0.38 0.00 -0.53 0.00 0.00 54.58 52.10 1jmm n ASN 508 Cb 0.43 -0.01 -0.12 0.00 -2.08 0.00 0.00 39.78 38.00 1jmm n ASN 508 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1jmm s LEU 509 N -1.93 4.65 -0.46 -4.53 2.96 -1.26 -0.57 118.68 117.53 1jmm s LEU 509 Ca 0.38 -1.39 -0.18 0.00 -0.22 0.00 0.00 54.13 52.72 1jmm s LEU 509 Cb 0.20 -1.88 0.04 0.00 0.50 0.00 0.00 46.19 45.06 1jmm s LEU 509 CO 0.33 -0.41 0.55 -0.69 -1.32 0.00 0.00 176.35 174.80 1jmm s VAL 510 N 1.36 4.96 -0.45 1.68 1.01 0.10 -4.76 120.40 124.31 1jmm s VAL 510 Ca 0.01 -0.39 0.07 0.00 0.00 0.00 0.00 61.98 61.67 1jmm s VAL 510 Cb -0.21 -4.19 0.18 0.00 0.00 0.00 0.00 36.38 32.16 1jmm s VAL 510 CO 0.01 -0.63 0.62 -0.47 0.00 0.00 0.00 175.10 174.63 1jmm s TYR 511 N 2.42 -1.33 0.00 5.22 5.04 -1.26 -1.02 117.35 126.43 1jmm s TYR 511 Ca 0.14 -0.36 0.00 0.00 -2.44 0.00 0.00 57.07 54.42 1jmm s TYR 511 Cb -0.18 0.15 0.00 0.00 0.35 0.00 0.00 41.96 42.28 1jmm s TYR 511 CO 0.13 -1.17 0.00 -0.40 -1.34 0.00 0.00 175.55 172.77 1jmm n ASP 512 N 3.74 0.00 -3.42 4.32 5.68 -1.26 0.06 116.55 125.67 1jmm n ASP 512 Ca 0.15 -0.99 -0.16 0.00 -0.50 0.00 0.00 54.79 53.28 1jmm n ASP 512 Cb 0.54 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.42 1jmm n ASP 512 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1jmm s LEU 513 N 0.00 -0.26 -0.38 -2.12 2.96 -1.26 -4.97 118.68 112.65 1jmm s LEU 513 Ca 0.00 -0.46 0.12 0.00 -0.22 0.00 0.00 54.13 53.57 1jmm s LEU 513 Cb 0.00 0.55 0.38 0.00 0.50 0.00 0.00 46.19 47.62 1jmm s LEU 513 CO 0.00 -0.36 0.93 -0.62 -1.32 0.00 0.00 176.35 174.98 1jmm n GLU 514 N 5.32 1.05 0.33 1.98 -0.58 -1.26 -4.31 120.64 123.18 1jmm n GLU 514 Ca -0.03 -2.91 0.22 0.00 -0.42 0.00 0.00 57.16 54.02 1jmm n GLU 514 Cb 0.48 -1.28 1.17 0.00 -0.57 0.00 0.00 31.44 31.24 1jmm n GLU 514 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1jmm h PRO 515 N 2.89 0.00 -0.16 3.49 0.13 -1.95 -2.89 132.00 133.51 1jmm h PRO 515 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1jmm h PRO 515 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1jmm h PRO 515 CO 0.37 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.23 1jmm n ASN 516 N -3.13 2.55 -4.56 1.44 3.02 -1.26 -4.73 115.26 108.59 1jmm n ASN 516 Ca -0.03 -1.74 -0.35 0.00 -0.03 0.00 0.00 54.58 52.44 1jmm n ASN 516 Cb 0.09 -0.10 0.09 0.00 -0.61 0.00 0.00 39.78 39.25 1jmm n ASN 516 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jmm n ALA 517 N 0.82 -0.87 -2.68 5.41 0.00 -1.09 -4.97 120.51 117.13 1jmm n ALA 517 Ca 0.11 -0.28 -0.35 0.00 0.00 0.00 0.00 53.44 52.92 1jmm n ALA 517 Cb 0.40 -2.02 -0.05 0.00 0.00 0.00 0.00 19.45 17.78 1jmm n ALA 517 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1jmm s ASN 518 N -1.73 6.57 -0.03 0.00 0.02 -0.48 -4.69 114.94 114.60 1jmm s ASN 518 Ca 0.69 0.67 0.07 0.00 -1.02 0.00 0.00 52.86 53.26 1jmm s ASN 518 Cb -0.32 -2.13 -0.02 0.00 0.02 0.00 0.00 41.25 38.80 1jmm s ASN 518 CO 0.55 0.23 -0.23 -0.22 0.02 0.00 0.00 177.10 177.45 1jmm s LEU 519 N -1.77 2.04 -0.02 0.60 2.96 -1.26 -1.69 118.68 119.54 1jmm s LEU 519 Ca 0.29 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 1jmm s LEU 519 Cb -0.14 -1.19 0.01 0.00 0.50 0.00 0.00 46.19 45.37 1jmm s LEU 519 CO 0.16 0.27 -0.05 -0.44 -1.32 0.00 0.00 176.35 174.97 1jmm s SER 520 N -0.43 0.81 0.10 3.68 0.01 -0.60 -4.98 113.70 112.29 1jmm s SER 520 Ca 0.06 -0.12 0.07 0.00 1.31 0.00 0.00 55.95 57.27 1jmm s SER 520 Cb -0.10 -0.24 -0.03 0.00 0.21 0.00 0.00 66.02 65.86 1jmm s SER 520 CO 0.00 0.02 -0.17 -0.76 0.41 0.00 0.00 173.24 172.74 1jmm s LEU 521 N 0.34 2.33 0.06 2.44 1.43 -1.26 -0.74 118.68 123.28 1jmm s LEU 521 Ca -0.04 -0.70 0.01 0.00 -1.03 0.00 0.00 54.13 52.36 1jmm s LEU 521 Cb -0.08 -0.69 -0.04 0.00 0.03 0.00 0.00 46.19 45.41 1jmm s LEU 521 CO -0.00 -0.04 -0.05 0.42 0.23 0.00 0.00 176.35 176.91 1jmm s THR 522 N -1.48 0.46 -0.05 5.49 -4.23 -1.06 -4.98 115.64 109.79 1jmm s THR 522 Ca 0.05 -1.63 -0.30 0.00 -1.18 0.00 0.00 61.69 58.63 1jmm s THR 522 Cb -0.09 -1.28 0.08 0.00 1.34 0.00 0.00 72.50 72.55 1jmm s THR 522 CO 0.04 -0.78 0.72 0.28 -0.54 0.00 0.00 174.62 174.33 1jmm s THR 523 N -3.07 0.00 -2.03 3.99 -1.32 -1.26 -0.96 115.64 110.98 1jmm s THR 523 Ca 0.03 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.73 1jmm s THR 523 Cb 0.02 -1.00 0.61 0.00 -1.51 0.00 0.00 72.50 70.62 1jmm s THR 523 CO -0.05 0.00 1.51 -0.90 -2.21 0.00 0.00 174.62 172.97 1jmm n ASP 524 N 0.81 3.74 0.00 8.08 5.68 -0.98 -4.85 116.55 129.04 1jmm n ASP 524 Ca -0.18 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.12 1jmm n ASP 524 Cb 0.58 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 1jmm n ASP 524 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jmm n GLY 525 N 1.61 2.51 3.18 6.12 0.00 -1.26 -4.88 105.19 112.48 1jmm n GLY 525 Ca 0.23 -1.59 -0.26 0.00 0.00 0.00 0.00 46.02 44.40 1jmm n GLY 525 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jmm s LYS 526 N 4.93 1.57 0.31 1.61 -0.14 -0.63 -4.97 119.74 122.42 1jmm s LYS 526 Ca 0.00 -0.66 -0.20 0.00 -1.36 0.00 0.00 55.97 53.75 1jmm s LYS 526 Cb 0.00 -1.49 -0.09 0.00 -1.68 0.00 0.00 37.83 34.57 1jmm s LYS 526 CO 0.00 0.37 0.82 -0.06 -0.76 0.00 0.00 175.35 175.72 1jmm s PHE 527 N -0.34 3.52 -0.16 3.18 0.08 -1.26 0.24 117.98 123.24 1jmm s PHE 527 Ca 0.05 1.47 -0.02 0.00 0.12 0.00 0.00 56.93 58.55 1jmm s PHE 527 Cb -0.08 -2.71 -0.02 0.00 -0.57 0.00 0.00 43.02 39.64 1jmm s PHE 527 CO -0.00 0.16 -0.08 -0.51 -0.10 0.00 0.00 175.22 174.69 1jmm s LEU 528 N -2.49 2.94 0.55 -0.37 1.43 -0.50 -0.52 118.68 119.71 1jmm s LEU 528 Ca 0.51 -0.28 -0.21 0.00 -1.03 0.00 0.00 54.13 53.12 1jmm s LEU 528 Cb -0.14 -1.70 -0.06 0.00 0.03 0.00 0.00 46.19 44.32 1jmm s LEU 528 CO 0.19 0.12 1.15 0.29 0.23 0.00 0.00 176.35 178.33 1jmm n LYS 529 N 3.86 1.33 0.03 1.70 5.02 0.80 -4.62 118.16 126.28 1jmm n LYS 529 Ca -0.18 0.50 -0.00 0.00 -2.02 0.00 0.00 58.31 56.60 1jmm n LYS 529 Cb 0.52 -2.33 0.29 0.00 -0.02 0.00 0.00 35.03 33.49 1jmm n LYS 529 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jmm h ALA 530 N 1.09 1.33 -0.28 7.82 0.00 -1.88 -2.21 119.26 125.13 1jmm h ALA 530 Ca -0.49 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.09 1jmm h ALA 530 Cb 1.33 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1jmm h ALA 530 CO 0.55 0.45 -0.21 0.66 0.00 0.00 0.00 179.25 180.69 1jmm h SER 531 N 0.43 0.52 -0.54 0.00 4.64 -1.95 -1.33 113.55 115.33 1jmm h SER 531 Ca 0.09 -0.17 -0.12 0.00 -0.47 0.00 0.00 61.79 61.12 1jmm h SER 531 Cb 0.42 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1jmm h SER 531 CO 0.02 0.74 -0.12 0.00 -0.87 0.00 0.00 176.83 176.60 1jmm h ALA 532 N 1.31 0.74 -0.64 5.18 0.00 -1.74 -1.43 119.26 122.67 1jmm h ALA 532 Ca 0.07 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1jmm h ALA 532 Cb 0.63 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1jmm h ALA 532 CO 0.04 0.67 0.11 0.28 0.00 0.00 0.00 179.25 180.36 1jmm h VAL 533 N 0.91 1.26 -0.66 0.00 2.07 -1.09 -1.45 116.25 117.28 1jmm h VAL 533 Ca 0.14 -0.99 -0.05 0.00 0.82 0.00 0.00 66.70 66.62 1jmm h VAL 533 Cb 0.69 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1jmm h VAL 533 CO 0.05 0.37 0.21 -0.78 0.02 0.00 0.00 177.57 177.44 1jmm h ASP 534 N 0.98 0.96 -0.48 0.57 3.58 -0.99 -1.93 116.42 119.11 1jmm h ASP 534 Ca 0.20 -0.21 -0.12 0.00 0.42 0.00 0.00 57.03 57.32 1jmm h ASP 534 Cb 0.40 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1jmm h ASP 534 CO 0.01 0.91 -0.17 0.44 -2.88 0.00 0.00 179.24 177.55 1jmm h ASP 535 N 0.95 0.98 -0.66 2.28 3.32 -0.99 -2.19 116.42 120.12 1jmm h ASP 535 Ca 0.21 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1jmm h ASP 535 Cb 0.29 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1jmm h ASP 535 CO -0.01 1.14 0.40 0.00 -1.72 0.00 0.00 179.24 179.05 1jmm h ALA 536 N 0.87 1.44 -0.35 3.45 0.00 -1.09 -1.55 119.26 122.04 1jmm h ALA 536 Ca 0.12 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1jmm h ALA 536 Cb 0.74 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1jmm h ALA 536 CO 0.06 0.48 -0.24 0.74 0.00 0.00 0.00 179.25 180.29 1jmm h PHE 537 N 0.92 0.79 0.00 0.00 0.04 -1.04 -2.85 116.94 114.79 1jmm h PHE 537 Ca 0.24 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1jmm h PHE 537 Cb -0.03 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 37.93 1jmm h PHE 537 CO 0.00 0.87 0.00 0.66 -0.60 0.00 0.00 178.31 179.24 1jmm h SER 538 N 0.61 0.00 -0.97 2.17 4.64 -0.69 -3.16 113.55 116.16 1jmm h SER 538 Ca 0.08 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.90 1jmm h SER 538 Cb 0.73 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1jmm h SER 538 CO 0.06 0.00 -0.23 -0.54 -0.87 0.00 0.00 176.83 175.25 1jmm s LYS 539 N -3.25 2.41 0.42 4.77 1.02 -0.69 -4.32 119.74 120.11 1jmm s LYS 539 Ca 0.07 -1.66 0.00 0.00 0.02 0.00 0.00 55.97 54.40 1jmm s LYS 539 Cb 0.10 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.94 1jmm s LYS 539 CO 0.52 -0.59 0.00 0.45 -0.92 0.00 0.00 175.35 174.81 1jmm n SER 540 N -1.93 0.00 0.30 2.83 2.88 -1.26 -2.46 113.62 113.98 1jmm n SER 540 Ca 0.08 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.74 1jmm n SER 540 Cb 0.62 0.00 0.67 0.00 -0.75 0.00 0.00 64.21 64.75 1jmm n SER 540 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1jmm h THR 541 N 0.00 0.00 -0.00 2.46 1.35 -1.93 0.13 112.91 114.92 1jmm h THR 541 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1jmm h THR 541 Cb 0.00 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 66.96 1jmm h THR 541 CO 0.00 0.00 -0.87 -1.54 -0.25 0.00 0.00 175.52 172.86 1jmm n SER 542 N -2.68 1.08 -0.12 5.36 3.41 -1.18 -4.53 113.62 114.96 1jmm n SER 542 Ca -0.02 -0.99 -0.06 0.00 -0.26 0.00 0.00 58.87 57.55 1jmm n SER 542 Cb 0.41 0.85 0.01 0.00 -0.26 0.00 0.00 64.21 65.21 1jmm n SER 542 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1jmm h LYS 543 N 0.32 -0.14 -0.23 4.33 3.64 -0.63 0.12 116.57 123.98 1jmm h LYS 543 Ca 0.00 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1jmm h LYS 543 Cb 0.53 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.33 1jmm h LYS 543 CO 0.00 -0.09 -0.09 0.00 -2.27 0.00 0.00 179.45 176.99 1jmm h ALA 544 N 1.09 0.11 0.00 5.00 0.00 -1.80 -1.01 119.26 122.66 1jmm h ALA 544 Ca 0.19 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 1jmm h ALA 544 Cb 0.45 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1jmm h ALA 544 CO -0.49 -0.51 -0.31 0.87 0.00 0.00 0.00 179.25 178.82 1jmm h LYS 545 N -0.05 0.00 -0.15 0.00 1.79 -1.71 -2.95 116.57 113.50 1jmm h LYS 545 Ca 0.12 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.58 1jmm h LYS 545 Cb 0.24 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1jmm h LYS 545 CO -0.27 0.31 0.06 -0.92 -1.08 0.00 0.00 179.45 177.54 1jmm h TYR 546 N 0.00 0.23 -0.14 -1.35 3.20 0.43 -1.22 116.97 118.12 1jmm h TYR 546 Ca -0.00 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.89 1jmm h TYR 546 Cb 0.54 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1jmm h TYR 546 CO 0.00 0.31 0.16 0.28 -1.64 0.00 0.00 178.16 177.27 1jmm h VAL 547 N 0.08 0.48 -0.32 1.81 2.07 -1.06 0.36 116.25 119.67 1jmm h VAL 547 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1jmm h VAL 547 Cb 0.18 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1jmm h VAL 547 CO -0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1jmm n GLN 548 N -3.80 1.81 -3.19 1.57 6.02 -0.91 -4.90 117.38 113.97 1jmm n GLN 548 Ca 0.01 -1.24 -0.15 0.00 -0.01 0.00 0.00 57.00 55.60 1jmm n GLN 548 Cb 0.28 -1.30 0.06 0.00 1.02 0.00 0.00 30.24 30.29 1jmm n GLN 548 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1jmm n LYS 549 N 0.50 -5.39 -4.48 -1.09 5.02 0.13 -4.98 118.16 107.87 1jmm n LYS 549 Ca 0.13 0.60 -0.22 0.00 -2.02 0.00 0.00 58.31 56.80 1jmm n LYS 549 Cb 0.31 -4.94 -0.16 0.00 -0.02 0.00 0.00 35.03 30.22 1jmm n LYS 549 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1jmm s ILE 550 N -3.24 0.93 -0.73 -0.18 1.01 -0.51 -2.62 121.20 115.85 1jmm s ILE 550 Ca 0.26 -0.41 -0.16 0.00 0.00 0.00 0.00 60.65 60.34 1jmm s ILE 550 Cb -0.12 -0.84 0.17 0.00 0.01 0.00 0.00 42.46 41.69 1jmm s ILE 550 CO 0.53 0.29 0.74 -0.76 0.00 0.00 0.00 174.94 175.74 1jmm s LEU 551 N 0.36 6.18 -1.13 2.97 1.02 0.46 -3.27 118.68 125.27 1jmm s LEU 551 Ca -0.07 -2.19 -0.16 0.00 0.02 0.00 0.00 54.13 51.74 1jmm s LEU 551 Cb -0.11 -2.25 0.15 0.00 0.02 0.00 0.00 46.19 44.00 1jmm s LEU 551 CO 0.01 -0.79 1.37 -1.58 0.02 0.00 0.00 176.35 175.38 1jmm s GLN 552 N 1.25 3.93 0.28 1.70 2.00 -1.26 -2.20 119.66 125.35 1jmm s GLN 552 Ca 0.15 -2.28 0.01 0.00 -2.00 0.00 0.00 55.36 51.24 1jmm s GLN 552 Cb -0.17 -5.06 0.55 0.00 0.80 0.00 0.00 33.01 29.14 1jmm s GLN 552 CO -0.04 -1.81 1.81 -0.07 -0.50 0.00 0.00 175.29 174.68 1jmm h LEU 553 N 10.18 0.78 0.00 3.68 4.07 -1.95 -0.77 115.31 131.30 1jmm h LEU 553 Ca 0.28 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.30 1jmm h LEU 553 Cb 0.92 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.58 1jmm h LEU 553 CO 1.22 0.38 0.00 -0.90 -1.08 0.00 0.00 178.44 178.07 1jmm n ASP 554 N -4.72 0.00 0.00 -0.43 5.75 -1.26 -2.19 116.55 113.70 1jmm n ASP 554 Ca 0.18 -1.28 0.00 0.00 -0.01 0.00 0.00 54.79 53.68 1jmm n ASP 554 Cb 0.40 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 1jmm n ASP 554 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1jmm n ASP 555 N -0.60 0.59 -4.72 -1.12 8.00 -0.31 -5.03 116.55 113.36 1jmm n ASP 555 Ca 0.03 -0.81 -0.42 0.00 0.71 0.00 0.00 54.79 54.30 1jmm n ASP 555 Cb 0.02 0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 1jmm n ASP 555 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1jmm s LEU 556 N -0.60 4.37 -0.57 0.64 2.96 -0.93 -3.20 118.68 121.34 1jmm s LEU 556 Ca 0.00 2.64 -0.22 0.00 -0.22 0.00 0.00 54.13 56.33 1jmm s LEU 556 Cb 0.00 -3.60 0.06 0.00 0.50 0.00 0.00 46.19 43.15 1jmm s LEU 556 CO 0.00 -0.83 0.86 -0.62 -1.32 0.00 0.00 176.35 174.43 1jmm s ASP 557 N 1.10 6.25 0.61 3.68 -1.08 -1.26 -4.75 116.67 121.23 1jmm s ASP 557 Ca 0.70 -0.74 0.32 0.00 -0.52 0.00 0.00 52.55 52.30 1jmm s ASP 557 Cb -0.44 -2.39 1.73 0.00 -1.46 0.00 0.00 42.92 40.36 1jmm s ASP 557 CO 0.32 -1.20 1.96 0.40 0.52 0.00 0.00 175.17 177.17 1jmm h ILE 558 N 5.96 0.00 -0.97 4.11 5.03 -1.39 -2.79 117.51 127.46 1jmm h ILE 558 Ca -0.27 0.00 0.19 0.00 -0.12 0.00 0.00 64.86 64.65 1jmm h ILE 558 Cb 1.08 0.70 -0.09 0.00 -3.03 0.00 0.00 36.82 35.48 1jmm h ILE 558 CO 1.09 0.00 0.61 0.74 -0.68 0.00 0.00 178.15 179.91 1jmm h THR 559 N 0.00 0.72 -0.23 -0.27 2.02 -1.88 -1.29 112.91 111.98 1jmm h THR 559 Ca 0.00 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 66.91 1jmm h THR 559 Cb 0.45 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 1jmm h THR 559 CO 0.00 0.12 0.06 0.59 0.37 0.00 0.00 175.52 176.66 1jmm n ASN 560 N -4.65 2.75 0.00 4.18 3.02 -1.05 -2.99 115.26 116.51 1jmm n ASN 560 Ca 0.21 -2.37 0.00 0.00 -0.03 0.00 0.00 54.58 52.40 1jmm n ASN 560 Cb 0.60 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 1jmm n ASN 560 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1jmm n LEU 561 N 0.14 0.97 -1.32 3.41 4.77 -0.49 -4.51 117.00 119.97 1jmm n LEU 561 Ca 0.12 -0.97 0.10 0.00 -0.03 0.00 0.00 56.01 55.23 1jmm n LEU 561 Cb 0.65 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 42.05 1jmm n LEU 561 CO 0.13 0.24 0.77 -0.62 -1.33 0.00 0.00 177.39 176.58 1jmm n GLU 562 N -0.19 3.17 -3.34 3.23 1.02 -1.16 -4.89 120.64 118.47 1jmm n GLU 562 Ca 0.00 -2.67 -0.33 0.00 -0.02 0.00 0.00 57.16 54.13 1jmm n GLU 562 Cb 0.27 -1.67 -0.06 0.00 -0.02 0.00 0.00 31.44 29.97 1jmm n GLU 562 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1jmm s GLN 563 N -1.42 3.91 0.45 3.49 1.11 -1.26 -4.98 119.66 120.97 1jmm s GLN 563 Ca 0.46 0.43 0.17 0.00 0.01 0.00 0.00 55.36 56.43 1jmm s GLN 563 Cb 0.27 -2.72 1.13 0.00 -1.01 0.00 0.00 33.01 30.68 1jmm s GLN 563 CO 0.26 0.35 1.96 0.77 0.01 0.00 0.00 175.29 178.64 1jmm h SER 564 N 2.87 0.29 0.00 5.90 0.02 -2.00 -0.49 113.55 120.14 1jmm h SER 564 Ca -0.48 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1jmm h SER 564 Cb 1.18 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1jmm h SER 564 CO 0.67 0.16 0.00 -0.46 -1.14 0.00 0.00 176.83 176.06 1jmm n ASN 565 N -4.45 0.00 0.04 3.07 0.23 -1.26 -3.13 115.26 109.76 1jmm n ASN 565 Ca 0.12 -1.47 0.07 0.00 -0.53 0.00 0.00 54.58 52.77 1jmm n ASN 565 Cb 0.50 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.12 1jmm n ASN 565 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1jmm n ASP 566 N -0.76 0.56 -4.73 0.53 8.00 -0.19 -4.94 116.55 115.01 1jmm n ASP 566 Ca 0.13 0.22 -0.41 0.00 0.71 0.00 0.00 54.79 55.44 1jmm n ASP 566 Cb 0.06 0.86 -0.03 0.00 -0.02 0.00 0.00 41.12 41.99 1jmm n ASP 566 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1jmm s VAL 567 N -3.26 3.28 0.31 2.53 1.01 -1.18 -0.14 120.40 122.95 1jmm s VAL 567 Ca -0.04 1.03 0.09 0.00 0.00 0.00 0.00 61.98 63.07 1jmm s VAL 567 Cb 0.10 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 1jmm s VAL 567 CO 0.83 0.15 0.03 0.00 0.00 0.00 0.00 175.10 176.11 1jmm s ALA 568 N 0.23 3.25 -0.81 5.51 0.00 0.32 -4.69 121.76 125.57 1jmm s ALA 568 Ca 0.57 -1.80 0.25 0.00 0.00 0.00 0.00 51.96 50.98 1jmm s ALA 568 Cb -0.36 -0.62 0.48 0.00 0.00 0.00 0.00 23.12 22.62 1jmm s ALA 568 CO 0.37 0.15 1.41 -1.13 0.00 0.00 0.00 175.76 176.55 1jmm n SER 569 N -0.97 0.57 0.00 0.00 3.41 -1.26 -4.00 113.62 111.37 1jmm n SER 569 Ca -0.05 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1jmm n SER 569 Cb 0.61 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.69 1jmm n SER 569 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1jmm n SER 570 N -1.83 0.00 0.00 4.04 3.41 -1.26 -5.00 113.62 112.98 1jmm n SER 570 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1jmm n SER 570 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1jmm n SER 570 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jmm n GLU 572 N 0.00 0.00 -3.16 4.33 1.02 -1.26 -4.72 120.64 116.85 1jmm n GLU 572 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 1jmm n GLU 572 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 1jmm n GLU 572 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1jmm s LEU 573 N 0.00 4.08 0.05 -4.62 1.43 -1.26 -4.15 118.68 114.21 1jmm s LEU 573 Ca 0.00 1.25 -0.02 0.00 -1.03 0.00 0.00 54.13 54.32 1jmm s LEU 573 Cb 0.00 -4.04 -0.03 0.00 0.03 0.00 0.00 46.19 42.15 1jmm s LEU 573 CO 0.00 -0.19 0.01 -0.47 0.23 0.00 0.00 176.35 175.93 1jmm s TYR 574 N -1.96 0.43 -5.00 0.29 5.04 -0.59 -4.83 117.35 110.73 1jmm s TYR 574 Ca 0.53 -0.93 0.00 0.00 -2.44 0.00 0.00 57.07 54.24 1jmm s TYR 574 Cb -0.10 -0.31 0.00 0.00 0.35 0.00 0.00 41.96 41.90 1jmm s TYR 574 CO 0.18 -0.39 0.00 0.41 -1.34 0.00 0.00 175.55 174.40 1jmm n GLY 575 N 0.21 -0.51 3.16 8.97 0.00 -1.26 -1.17 105.19 114.59 1jmm n GLY 575 Ca -0.15 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 1jmm n GLY 575 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jmm n ASN 576 N 2.62 5.15 0.00 1.61 6.94 -1.19 -4.34 115.26 126.04 1jmm n ASN 576 Ca 0.00 -3.05 0.00 0.00 -0.02 0.00 0.00 54.58 51.51 1jmm n ASN 576 Cb 0.00 -1.53 0.00 0.00 -2.36 0.00 0.00 39.78 35.89 1jmm n ASN 576 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 1jmm n PHE 577 N 4.76 0.00 0.00 -2.53 1.16 -1.07 -4.26 117.46 115.52 1jmm n PHE 577 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.97 1jmm n PHE 577 Cb 0.39 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.26 1jmm n PHE 577 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1jmm n GLY 578 N 0.10 -0.09 0.29 4.97 0.00 -1.26 -3.64 105.19 105.55 1jmm n GLY 578 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1jmm n GLY 578 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jmm n ASP 579 N 0.00 0.85 -1.21 1.61 5.68 -1.26 -3.30 116.55 118.92 1jmm n ASP 579 Ca 0.00 -1.83 -0.02 0.00 -0.50 0.00 0.00 54.79 52.44 1jmm n ASP 579 Cb 0.00 -0.09 0.13 0.00 -1.14 0.00 0.00 41.12 40.02 1jmm n ASP 579 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1jmm n LYS 580 N -0.11 1.88 -0.05 0.11 5.02 -1.26 -4.80 118.16 118.94 1jmm n LYS 580 Ca 0.09 -3.35 0.02 0.00 -2.02 0.00 0.00 58.31 53.05 1jmm n LYS 580 Cb 0.16 -1.56 0.36 0.00 -0.02 0.00 0.00 35.03 33.97 1jmm n LYS 580 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jmm h ALA 581 N 1.39 1.58 0.04 7.82 0.00 -1.62 -2.55 119.26 125.92 1jmm h ALA 581 Ca 0.05 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 1jmm h ALA 581 Cb 1.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1jmm h ALA 581 CO 0.21 0.36 -1.01 0.78 0.00 0.00 0.00 179.25 179.59 1jmm h GLY 582 N 0.71 0.24 -2.06 0.00 0.00 -1.87 -3.43 103.07 96.67 1jmm h GLY 582 Ca 0.17 -0.50 -0.50 0.00 0.00 0.00 0.00 47.33 46.50 1jmm h GLY 582 CO -0.03 0.44 -2.00 0.79 0.00 0.00 0.00 176.54 175.74 1jmm n TRP 583 N -3.59 -2.10 -4.25 5.60 7.02 -0.98 -4.94 117.44 114.19 1jmm n TRP 583 Ca -0.05 0.37 -0.17 0.00 -1.02 0.00 0.00 57.50 56.63 1jmm n TRP 583 Cb 0.89 -1.47 -0.11 0.00 -2.42 0.00 0.00 31.31 28.21 1jmm n TRP 583 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1jmm s SER 584 N -1.29 2.01 0.29 -0.99 1.04 -1.08 -4.66 113.70 109.03 1jmm s SER 584 Ca 0.43 -0.87 0.03 0.00 0.48 0.00 0.00 55.95 56.02 1jmm s SER 584 Cb -0.03 -0.06 -0.06 0.00 0.10 0.00 0.00 66.02 65.97 1jmm s SER 584 CO 0.69 -0.19 0.05 0.42 0.98 0.00 0.00 173.24 175.20 1jmm s THR 585 N -2.47 1.03 -2.04 2.02 -4.23 0.11 -0.40 115.64 109.65 1jmm s THR 585 Ca 0.12 -2.01 0.10 0.00 -1.18 0.00 0.00 61.69 58.72 1jmm s THR 585 Cb -0.03 -2.65 0.28 0.00 1.34 0.00 0.00 72.50 71.44 1jmm s THR 585 CO 0.03 -0.08 1.34 0.35 -0.54 0.00 0.00 174.62 175.72 1jmm n THR 586 N -0.57 0.11 -0.02 3.99 -2.24 -0.94 -1.30 114.28 113.31 1jmm n THR 586 Ca -0.02 -0.13 0.08 0.00 -2.27 0.00 0.00 64.05 61.71 1jmm n THR 586 Cb 0.66 0.00 -0.17 0.00 -2.10 0.00 0.00 70.33 68.72 1jmm n THR 586 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1jmm n VAL 587 N -0.30 0.18 -2.57 2.28 0.24 -1.26 -4.79 118.33 112.11 1jmm n VAL 587 Ca 0.09 -0.54 -0.01 0.00 -2.04 0.00 0.00 64.34 61.83 1jmm n VAL 587 Cb 0.12 -0.06 0.03 0.00 -1.47 0.00 0.00 33.84 32.46 1jmm n VAL 587 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1jmm n SER 588 N -2.32 -0.57 0.00 -1.34 3.41 -1.22 -5.12 113.62 106.46 1jmm n SER 588 Ca -0.08 -1.43 0.00 0.00 -0.26 0.00 0.00 58.87 57.10 1jmm n SER 588 Cb 0.64 0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 1jmm n SER 588 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1jmm n ASN 589 N -0.48 0.00 0.05 4.04 0.23 -0.42 -1.73 115.26 116.95 1jmm n ASN 589 Ca -0.08 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.08 1jmm n ASN 589 Cb 0.62 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.38 1jmm n ASN 589 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1jmm n ASN 590 N 5.96 0.65 -4.74 0.53 4.13 -1.26 0.06 115.26 120.58 1jmm n ASN 590 Ca 0.00 -0.01 -0.42 0.00 1.68 0.00 0.00 54.58 55.83 1jmm n ASN 590 Cb 0.00 0.58 -0.01 0.00 -1.54 0.00 0.00 39.78 38.82 1jmm n ASN 590 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1jmm n SER 591 N -2.13 3.54 -4.76 6.41 7.64 -0.71 -4.88 113.62 118.74 1jmm n SER 591 Ca 0.02 1.20 -0.41 0.00 1.01 0.00 0.00 58.87 60.68 1jmm n SER 591 Cb 0.46 -1.57 -0.01 0.00 -1.01 0.00 0.00 64.21 62.07 1jmm n SER 591 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1jmm s GLN 592 N -1.51 4.18 -0.04 1.43 0.74 -1.26 -4.83 119.66 118.36 1jmm s GLN 592 Ca 0.58 2.47 -0.04 0.00 0.05 0.00 0.00 55.36 58.42 1jmm s GLN 592 Cb -0.51 -3.04 0.01 0.00 1.10 0.00 0.00 33.01 30.57 1jmm s GLN 592 CO 0.58 -0.52 0.11 0.08 -0.55 0.00 0.00 175.29 175.00 1jmm s VAL 593 N -0.34 -0.00 0.02 1.34 1.01 -1.26 -5.06 120.40 116.11 1jmm s VAL 593 Ca 0.59 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.60 1jmm s VAL 593 Cb -0.45 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 1jmm s VAL 593 CO 0.50 0.00 -0.11 -0.54 0.00 0.00 0.00 175.10 174.96 1jmm s LYS 594 N 0.08 0.77 -0.00 2.72 1.02 -1.26 -3.18 119.74 119.88 1jmm s LYS 594 Ca -0.00 -0.57 -0.12 0.00 0.02 0.00 0.00 55.97 55.30 1jmm s LYS 594 Cb -0.01 -0.72 0.02 0.00 -0.52 0.00 0.00 37.83 36.59 1jmm s LYS 594 CO 0.00 0.18 0.25 1.67 -0.92 0.00 0.00 175.35 176.54 1jmm s TRP 595 N -0.66 -0.10 0.21 3.18 -2.14 -0.32 -0.79 118.94 118.33 1jmm s TRP 595 Ca 0.00 0.10 -0.02 0.00 2.66 0.00 0.00 56.10 58.84 1jmm s TRP 595 Cb -0.06 0.05 -0.05 0.00 -3.10 0.00 0.00 33.47 30.31 1jmm s TRP 595 CO 0.00 -0.37 0.42 0.20 -2.66 0.00 0.00 176.95 174.54 1jmm s GLY 596 N -1.46 1.86 -0.03 3.67 0.00 0.34 -1.54 107.32 110.17 1jmm s GLY 596 Ca -0.13 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 43.89 1jmm s GLY 596 CO 0.02 -0.68 -0.12 -0.56 0.00 0.00 0.00 173.10 171.77 1jmm s SER 597 N -3.08 1.49 0.12 1.64 0.01 -1.26 -1.13 113.70 111.49 1jmm s SER 597 Ca 0.40 -0.23 0.04 0.00 1.31 0.00 0.00 55.95 57.47 1jmm s SER 597 Cb -0.11 -0.37 -0.04 0.00 0.21 0.00 0.00 66.02 65.71 1jmm s SER 597 CO 0.29 0.10 -0.10 0.68 0.41 0.00 0.00 173.24 174.61 1jmm s VAL 598 N 0.09 1.06 -0.25 3.43 -7.23 -0.81 -1.42 120.40 115.27 1jmm s VAL 598 Ca -0.02 -1.84 -0.02 0.00 -1.81 0.00 0.00 61.98 58.29 1jmm s VAL 598 Cb -0.09 -1.60 0.02 0.00 0.56 0.00 0.00 36.38 35.28 1jmm s VAL 598 CO 0.01 -0.64 -0.05 -0.22 -0.31 0.00 0.00 175.10 173.89 1jmm s LEU 599 N -2.78 3.23 0.20 1.32 0.20 0.14 -1.47 118.68 119.51 1jmm s LEU 599 Ca 0.11 -0.85 0.11 0.00 0.69 0.00 0.00 54.13 54.18 1jmm s LEU 599 Cb -0.00 -1.68 -0.04 0.00 -0.43 0.00 0.00 46.19 44.03 1jmm s LEU 599 CO 0.00 -0.13 -0.22 -0.76 -0.29 0.00 0.00 176.35 174.95 1jmm s LEU 600 N 1.34 2.45 0.34 -0.68 1.43 0.26 -1.61 118.68 122.22 1jmm s LEU 600 Ca 0.00 -0.88 0.08 0.00 -1.03 0.00 0.00 54.13 52.30 1jmm s LEU 600 Cb -0.17 -1.07 -0.05 0.00 0.03 0.00 0.00 46.19 44.94 1jmm s LEU 600 CO -0.04 0.07 0.09 -1.61 0.23 0.00 0.00 176.35 175.09 1jmm s GLU 601 N -2.80 2.23 0.19 1.70 2.02 -1.26 -0.20 118.70 120.58 1jmm s GLU 601 Ca 0.20 -1.65 -0.31 0.00 0.02 0.00 0.00 54.97 53.23 1jmm s GLU 601 Cb -0.07 -2.05 -0.16 0.00 0.10 0.00 0.00 34.13 31.94 1jmm s GLU 601 CO 0.09 0.11 0.92 0.54 0.02 0.00 0.00 175.26 176.94 1jmm n ARG 602 N -1.07 0.73 0.00 1.61 1.74 -1.26 -0.57 116.66 117.85 1jmm n ARG 602 Ca -0.03 0.26 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 1jmm n ARG 602 Cb 0.62 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.49 1jmm n ARG 602 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jmm n GLY 603 N 1.75 2.87 3.88 -0.13 0.00 0.79 -4.90 105.19 109.45 1jmm n GLY 603 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1jmm n GLY 603 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jmm s GLN 604 N -0.10 2.41 0.31 1.61 -0.21 0.27 -4.75 119.66 119.20 1jmm s GLN 604 Ca 0.00 0.35 -0.14 0.00 0.02 0.00 0.00 55.36 55.58 1jmm s GLN 604 Cb 0.00 -1.98 0.02 0.00 1.00 0.00 0.00 33.01 32.05 1jmm s GLN 604 CO 0.00 -1.33 0.64 -1.54 -2.12 0.00 0.00 175.29 170.94 1jmm s SER 605 N -4.39 0.06 -0.02 5.90 1.04 -1.26 -2.00 113.70 113.03 1jmm s SER 605 Ca 0.60 -1.00 0.03 0.00 0.48 0.00 0.00 55.95 56.05 1jmm s SER 605 Cb -0.11 0.72 -0.00 0.00 0.10 0.00 0.00 66.02 66.72 1jmm s SER 605 CO 0.51 -1.39 -0.09 0.00 0.98 0.00 0.00 173.24 173.26 1jmm s ALA 606 N -3.32 0.79 -0.25 5.32 0.00 -0.49 -2.31 121.76 121.50 1jmm s ALA 606 Ca 0.19 -0.34 -0.04 0.00 0.00 0.00 0.00 51.96 51.77 1jmm s ALA 606 Cb -0.03 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.83 1jmm s ALA 606 CO 0.11 0.15 -0.02 0.99 0.00 0.00 0.00 175.76 176.99 1jmm s THR 607 N 0.05 3.37 -0.21 0.00 2.01 -0.14 -0.45 115.64 120.27 1jmm s THR 607 Ca -0.01 -0.69 -0.09 0.00 0.31 0.00 0.00 61.69 61.21 1jmm s THR 607 Cb -0.07 -2.64 -0.05 0.00 0.01 0.00 0.00 72.50 69.76 1jmm s THR 607 CO 0.00 0.28 0.11 0.00 -0.69 0.00 0.00 174.62 174.32 1jmm s ALA 608 N 1.44 3.52 -0.24 7.40 0.00 0.20 -2.55 121.76 131.52 1jmm s ALA 608 Ca 0.03 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.13 1jmm s ALA 608 Cb -0.16 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.83 1jmm s ALA 608 CO -0.02 -0.03 -0.02 0.99 0.00 0.00 0.00 175.76 176.68 1jmm s THR 609 N 0.74 3.38 -0.24 0.00 2.01 0.08 -0.27 115.64 121.34 1jmm s THR 609 Ca 0.06 -0.68 -0.09 0.00 0.31 0.00 0.00 61.69 61.30 1jmm s THR 609 Cb -0.13 -2.63 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 1jmm s THR 609 CO 0.02 0.29 0.11 -0.31 -0.69 0.00 0.00 174.62 174.03 1jmm s TYR 610 N 1.44 3.19 0.31 4.92 2.02 0.74 -1.56 117.35 128.42 1jmm s TYR 610 Ca 0.04 -0.09 0.06 0.00 -0.37 0.00 0.00 57.07 56.71 1jmm s TYR 610 Cb -0.16 -2.23 -0.06 0.00 -0.40 0.00 0.00 41.96 39.11 1jmm s TYR 610 CO -0.02 -0.12 -0.02 0.95 -1.57 0.00 0.00 175.55 174.76 1jmm s THR 611 N 1.24 1.61 -1.27 -0.71 -4.23 -0.68 -1.54 115.64 110.05 1jmm s THR 611 Ca 0.06 -2.08 -0.03 0.00 -1.18 0.00 0.00 61.69 58.46 1jmm s THR 611 Cb -0.14 -2.63 -0.01 0.00 1.34 0.00 0.00 72.50 71.06 1jmm s THR 611 CO 0.05 -0.17 0.73 0.59 -0.54 0.00 0.00 174.62 175.27 1jmm n ASN 612 N -0.68 -1.97 -4.88 3.99 3.02 -1.20 -1.38 115.26 112.16 1jmm n ASN 612 Ca -0.04 -0.83 -0.30 0.00 -0.03 0.00 0.00 54.58 53.38 1jmm n ASN 612 Cb 0.65 -4.09 0.02 0.00 -0.61 0.00 0.00 39.78 35.75 1jmm n ASN 612 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jmm s LEU 613 N -6.55 3.18 0.00 3.41 1.43 -1.26 -4.44 118.68 114.45 1jmm s LEU 613 Ca 0.08 1.24 0.00 0.00 -1.03 0.00 0.00 54.13 54.42 1jmm s LEU 613 Cb -0.02 -4.19 0.00 0.00 0.03 0.00 0.00 46.19 42.01 1jmm s LEU 613 CO 0.81 -0.99 0.08 0.00 0.23 0.00 0.00 176.35 176.48 1jmm n GLN 614 N -2.76 0.42 0.00 1.70 10.64 -1.26 -4.86 117.38 121.25 1jmm n GLN 614 Ca 0.06 -0.08 0.00 0.00 -1.83 0.00 0.00 57.00 55.15 1jmm n GLN 614 Cb 0.55 -0.45 0.00 0.00 -0.86 0.00 0.00 30.24 29.48 1jmm n GLN 614 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1jmm n ASN 615 N -0.08 1.31 -4.66 2.61 3.02 -1.26 -5.05 115.26 111.15 1jmm n ASN 615 Ca 0.00 -1.63 -0.35 0.00 -0.03 0.00 0.00 54.58 52.58 1jmm n ASN 615 Cb 0.13 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.20 1jmm n ASN 615 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1jmm s SER 616 N -0.63 5.38 0.02 6.41 0.01 -1.26 -4.68 113.70 118.96 1jmm s SER 616 Ca 0.00 0.11 -0.08 0.00 1.31 0.00 0.00 55.95 57.29 1jmm s SER 616 Cb 0.00 -1.72 -0.00 0.00 0.21 0.00 0.00 66.02 64.51 1jmm s SER 616 CO 0.00 0.29 0.15 -0.31 0.41 0.00 0.00 173.24 173.78 1jmm s TYR 617 N -0.34 0.08 -0.20 2.43 1.51 -0.19 -1.11 117.35 119.54 1jmm s TYR 617 Ca 0.08 -0.26 0.01 0.00 -1.01 0.00 0.00 57.07 55.88 1jmm s TYR 617 Cb -0.12 -0.06 0.04 0.00 -0.11 0.00 0.00 41.96 41.71 1jmm s TYR 617 CO 0.02 -0.36 -0.10 -0.47 -1.11 0.00 0.00 175.55 173.52 1jmm s TYR 618 N -2.11 2.39 -1.46 2.71 5.04 0.56 0.01 117.35 124.50 1jmm s TYR 618 Ca -0.09 -1.57 -0.09 0.00 -2.44 0.00 0.00 57.07 52.88 1jmm s TYR 618 Cb -0.04 -1.63 0.04 0.00 0.35 0.00 0.00 41.96 40.68 1jmm s TYR 618 CO -0.02 -0.74 0.90 0.09 -1.34 0.00 0.00 175.55 174.44 1jmm n ASN 619 N 4.69 -5.64 0.00 4.32 3.02 0.26 -0.73 115.26 121.19 1jmm n ASN 619 Ca -0.15 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 1jmm n ASN 619 Cb 0.47 -4.50 0.00 0.00 -0.61 0.00 0.00 39.78 35.14 1jmm n ASN 619 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jmm n GLY 620 N -1.70 0.69 3.66 7.41 0.00 -1.26 -3.86 105.19 110.13 1jmm n GLY 620 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1jmm n GLY 620 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jmm s LYS 621 N -0.30 4.12 0.29 1.61 2.20 0.09 -4.50 119.74 123.24 1jmm s LYS 621 Ca 0.00 0.06 -0.30 0.00 -0.36 0.00 0.00 55.97 55.37 1jmm s LYS 621 Cb 0.00 -3.56 -0.12 0.00 -1.51 0.00 0.00 37.83 32.64 1jmm s LYS 621 CO 0.00 -0.06 1.59 1.17 -0.36 0.00 0.00 175.35 177.69 1jmm n LYS 622 N 4.58 2.66 -3.41 4.03 4.81 -1.26 -0.32 118.16 129.24 1jmm n LYS 622 Ca -0.10 0.95 -0.39 0.00 -0.87 0.00 0.00 58.31 57.90 1jmm n LYS 622 Cb 0.51 -2.72 -0.09 0.00 0.02 0.00 0.00 35.03 32.75 1jmm n LYS 622 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1jmm s ILE 623 N 0.03 5.20 -0.15 3.15 1.01 -0.27 -3.55 121.20 126.62 1jmm s ILE 623 Ca 0.65 0.57 0.17 0.00 0.00 0.00 0.00 60.65 62.04 1jmm s ILE 623 Cb -0.51 -3.69 -0.25 0.00 0.01 0.00 0.00 42.46 38.03 1jmm s ILE 623 CO 0.48 0.19 0.29 -1.54 0.00 0.00 0.00 174.94 174.36 1jmm n SER 624 N 5.06 0.23 -3.78 3.58 3.41 -0.77 -4.62 113.62 116.73 1jmm n SER 624 Ca -0.09 0.11 -0.12 0.00 -0.26 0.00 0.00 58.87 58.50 1jmm n SER 624 Cb 0.51 0.85 -0.08 0.00 -0.26 0.00 0.00 64.21 65.22 1jmm n SER 624 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1jmm s LYS 625 N -2.66 0.68 -0.03 4.33 2.20 -1.21 -3.23 119.74 119.82 1jmm s LYS 625 Ca -0.08 -0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.20 1jmm s LYS 625 Cb 0.07 0.30 0.03 0.00 -1.51 0.00 0.00 37.83 36.72 1jmm s LYS 625 CO 0.84 -0.19 0.00 0.42 -0.36 0.00 0.00 175.35 176.06 1jmm s ILE 626 N -1.73 0.15 -0.22 5.43 1.01 -0.59 0.18 121.20 125.42 1jmm s ILE 626 Ca -0.11 0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.67 1jmm s ILE 626 Cb -0.04 -0.25 0.04 0.00 0.01 0.00 0.00 42.46 42.22 1jmm s ILE 626 CO 0.01 0.14 -0.15 -0.69 0.00 0.00 0.00 174.94 174.26 1jmm s VAL 627 N 1.05 2.09 -0.08 2.92 1.01 -0.40 -0.18 120.40 126.81 1jmm s VAL 627 Ca -0.09 -1.30 0.01 0.00 0.00 0.00 0.00 61.98 60.60 1jmm s VAL 627 Cb -0.13 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 1jmm s VAL 627 CO -0.02 0.23 -0.09 -0.31 0.00 0.00 0.00 175.10 174.91 1jmm s TYR 628 N 1.20 2.88 -0.21 5.22 1.51 0.63 -1.84 117.35 126.74 1jmm s TYR 628 Ca -0.03 -0.09 -0.02 0.00 -1.01 0.00 0.00 57.07 55.92 1jmm s TYR 628 Cb -0.17 -1.72 0.01 0.00 -0.11 0.00 0.00 41.96 39.97 1jmm s TYR 628 CO -0.09 0.23 -0.10 0.21 -1.11 0.00 0.00 175.55 174.69 1jmm s LYS 629 N -0.61 3.11 -0.28 -0.62 2.20 0.91 0.61 119.74 125.06 1jmm s LYS 629 Ca 0.09 -0.78 -0.10 0.00 -0.36 0.00 0.00 55.97 54.82 1jmm s LYS 629 Cb -0.12 -2.86 -0.04 0.00 -1.51 0.00 0.00 37.83 33.31 1jmm s LYS 629 CO 0.02 -0.25 0.17 0.71 -0.36 0.00 0.00 175.35 175.63 1jmm s TYR 630 N 1.38 3.19 -0.07 4.03 2.02 0.40 -1.81 117.35 126.49 1jmm s TYR 630 Ca 0.04 -0.12 0.05 0.00 -0.37 0.00 0.00 57.07 56.67 1jmm s TYR 630 Cb -0.14 -2.36 -0.00 0.00 -0.40 0.00 0.00 41.96 39.05 1jmm s TYR 630 CO -0.07 -0.26 -0.22 0.99 -1.57 0.00 0.00 175.55 174.42 1jmm s THR 631 N 1.71 1.85 -0.38 -0.71 2.01 -0.34 -1.40 115.64 118.38 1jmm s THR 631 Ca 0.06 -0.93 -0.29 0.00 0.31 0.00 0.00 61.69 60.84 1jmm s THR 631 Cb -0.16 -1.59 0.01 0.00 0.01 0.00 0.00 72.50 70.77 1jmm s THR 631 CO 0.09 0.52 1.35 -0.69 -0.69 0.00 0.00 174.62 175.19 1jmm s VAL 632 N 0.09 4.01 -0.05 3.82 1.01 -0.85 0.37 120.40 128.81 1jmm s VAL 632 Ca -0.09 1.08 -0.32 0.00 0.00 0.00 0.00 61.98 62.65 1jmm s VAL 632 Cb -0.15 -4.22 -0.10 0.00 0.00 0.00 0.00 36.38 31.91 1jmm s VAL 632 CO 0.05 -0.68 1.95 -0.67 0.00 0.00 0.00 175.10 175.75 1jmm n ASP 633 N 8.31 3.71 -0.11 3.32 -0.08 -0.24 -0.15 116.55 131.31 1jmm n ASP 633 Ca 0.15 0.88 0.17 0.00 -1.51 0.00 0.00 54.79 54.49 1jmm n ASP 633 Cb 0.48 -1.44 0.56 0.00 2.34 0.00 0.00 41.12 43.05 1jmm n ASP 633 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1jmm h PRO 634 N 10.22 0.28 0.00 -0.67 0.11 -1.90 -0.83 132.00 139.21 1jmm h PRO 634 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1jmm h PRO 634 Cb 1.26 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1jmm h PRO 634 CO 0.95 0.19 0.00 1.63 -0.21 0.00 0.00 178.00 180.55 1jmm n LYS 635 N -4.45 0.61 -1.98 1.05 5.02 -1.26 -4.78 118.16 112.37 1jmm n LYS 635 Ca 0.13 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.01 1jmm n LYS 635 Cb 0.54 -1.30 -0.02 0.00 -0.02 0.00 0.00 35.03 34.23 1jmm n LYS 635 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1jmm s SER 636 N -1.76 6.61 0.00 4.39 0.01 -0.32 -4.92 113.70 117.71 1jmm s SER 636 Ca 0.18 2.77 0.23 0.00 1.31 0.00 0.00 55.95 60.44 1jmm s SER 636 Cb 0.08 -2.64 0.52 0.00 0.21 0.00 0.00 66.02 64.19 1jmm s SER 636 CO 0.14 -0.70 1.46 0.29 0.41 0.00 0.00 173.24 174.84 1jmm n LYS 637 N 1.55 2.61 -1.65 12.44 5.02 -1.18 -4.95 118.16 131.99 1jmm n LYS 637 Ca 0.04 -2.46 -0.38 0.00 -2.02 0.00 0.00 58.31 53.49 1jmm n LYS 637 Cb 0.40 -1.54 0.05 0.00 -0.02 0.00 0.00 35.03 33.92 1jmm n LYS 637 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 1jmm n PHE 638 N 1.58 1.29 -2.59 2.13 1.16 -0.59 -4.47 117.46 115.98 1jmm n PHE 638 Ca 0.22 0.45 -0.37 0.00 -1.87 0.00 0.00 57.45 55.87 1jmm n PHE 638 Cb 0.62 -2.21 -0.05 0.00 -1.61 0.00 0.00 39.48 36.23 1jmm n PHE 638 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1jmm s GLN 639 N -2.78 4.32 0.00 3.97 1.11 -1.26 -4.86 119.66 120.17 1jmm s GLN 639 Ca 0.74 1.51 0.00 0.00 0.01 0.00 0.00 55.36 57.63 1jmm s GLN 639 Cb -0.43 -2.69 0.00 0.00 -1.01 0.00 0.00 33.01 28.89 1jmm s GLN 639 CO 0.48 0.00 0.00 0.41 0.01 0.00 0.00 175.29 176.19 1jmm n GLY 640 N 0.50 1.54 0.00 3.09 0.00 -1.26 -4.87 105.19 104.20 1jmm n GLY 640 Ca 0.03 -2.05 0.04 0.00 0.00 0.00 0.00 46.02 44.04 1jmm n GLY 640 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jmm n GLN 641 N 1.10 4.42 -4.35 1.61 1.13 -1.26 -5.05 117.38 114.98 1jmm n GLN 641 Ca 0.00 -0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.81 1jmm n GLN 641 Cb 0.00 -0.86 -0.09 0.00 0.11 0.00 0.00 30.24 29.40 1jmm n GLN 641 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1jmm s LYS 642 N -1.73 1.98 -0.01 -1.09 1.02 -1.26 -4.15 119.74 114.50 1jmm s LYS 642 Ca 0.03 -1.47 0.00 0.00 0.02 0.00 0.00 55.97 54.55 1jmm s LYS 642 Cb 0.06 -2.03 0.01 0.00 -0.52 0.00 0.00 37.83 35.35 1jmm s LYS 642 CO 0.31 0.38 0.00 0.08 -0.92 0.00 0.00 175.35 175.20 1jmm s VAL 643 N -2.11 0.08 -0.17 3.17 1.01 0.72 -4.51 120.40 118.58 1jmm s VAL 643 Ca 0.28 0.04 -0.13 0.00 0.00 0.00 0.00 61.98 62.18 1jmm s VAL 643 Cb -0.07 -0.13 -0.05 0.00 0.00 0.00 0.00 36.38 36.13 1jmm s VAL 643 CO 0.16 0.07 0.24 0.86 0.00 0.00 0.00 175.10 176.43 1jmm s TRP 644 N 0.47 3.44 -0.17 5.22 -0.00 0.13 -0.57 118.94 127.46 1jmm s TRP 644 Ca -0.04 0.51 0.01 0.00 -0.00 0.00 0.00 56.10 56.57 1jmm s TRP 644 Cb -0.06 -2.28 0.01 0.00 -0.00 0.00 0.00 33.47 31.13 1jmm s TRP 644 CO -0.01 0.25 -0.17 -1.17 -0.00 0.00 0.00 176.95 175.85 1jmm s LEU 645 N 0.44 2.29 -0.29 5.86 2.96 -0.54 -0.93 118.68 128.46 1jmm s LEU 645 Ca 0.14 -0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 53.43 1jmm s LEU 645 Cb -0.12 -1.52 0.03 0.00 0.50 0.00 0.00 46.19 45.07 1jmm s LEU 645 CO 0.02 0.03 0.03 -0.83 -1.32 0.00 0.00 176.35 174.28 1jmm s GLY 646 N 1.12 1.75 -0.30 7.98 0.00 0.38 -1.93 107.32 116.33 1jmm s GLY 646 Ca 0.01 -1.60 -0.08 0.00 0.00 0.00 0.00 44.72 43.05 1jmm s GLY 646 CO -0.07 0.65 0.11 -0.42 0.00 0.00 0.00 173.10 173.38 1jmm s ILE 647 N 1.37 4.28 0.51 0.90 1.01 -0.29 -0.57 121.20 128.42 1jmm s ILE 647 Ca -0.01 -0.52 -0.20 0.00 0.00 0.00 0.00 60.65 59.93 1jmm s ILE 647 Cb -0.18 -3.17 -0.07 0.00 0.01 0.00 0.00 42.46 39.05 1jmm s ILE 647 CO -0.00 0.10 1.10 -0.36 0.00 0.00 0.00 174.94 175.78 1jmm s PHE 648 N 1.56 2.81 0.27 3.97 0.08 -1.14 -0.51 117.98 125.03 1jmm s PHE 648 Ca 0.04 1.56 -0.00 0.00 0.12 0.00 0.00 56.93 58.65 1jmm s PHE 648 Cb -0.17 -3.21 0.38 0.00 -0.57 0.00 0.00 43.02 39.45 1jmm s PHE 648 CO 0.04 -1.28 1.75 1.79 -0.10 0.00 0.00 175.22 177.42 1jmm h THR 649 N 1.39 1.25 -2.77 0.64 1.35 -1.31 -3.37 112.91 110.08 1jmm h THR 649 Ca -0.50 -1.09 -0.55 0.00 -0.55 0.00 0.00 66.41 63.73 1jmm h THR 649 Cb 1.25 1.07 -0.08 0.00 -1.73 0.00 0.00 68.15 68.66 1jmm h THR 649 CO 0.58 0.37 1.02 -0.62 -0.25 0.00 0.00 175.52 176.62 1jmm s ASP 650 N -6.72 6.29 0.58 5.36 -1.08 -1.26 -4.61 116.67 115.23 1jmm s ASP 650 Ca -0.08 -0.16 0.31 0.00 -0.52 0.00 0.00 52.55 52.09 1jmm s ASP 650 Cb 0.14 -2.56 1.42 0.00 -1.46 0.00 0.00 42.92 40.46 1jmm s ASP 650 CO 0.80 -1.67 1.79 1.55 0.52 0.00 0.00 175.17 178.16 1jmm h PRO 651 N 9.86 0.00 0.00 4.34 0.13 -1.78 0.41 132.00 144.96 1jmm h PRO 651 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1jmm h PRO 651 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1jmm h PRO 651 CO 1.23 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 179.25 1jmm n THR 652 N -3.79 0.54 0.61 1.56 -2.24 -1.26 -2.61 114.28 107.08 1jmm n THR 652 Ca 0.15 -0.02 0.12 0.00 -2.27 0.00 0.00 64.05 62.04 1jmm n THR 652 Cb 0.95 -0.75 0.27 0.00 -2.10 0.00 0.00 70.33 68.70 1jmm n THR 652 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jmm n LEU 653 N -1.93 0.74 0.00 3.22 4.77 0.13 -4.71 117.00 119.22 1jmm n LEU 653 Ca 0.05 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1jmm n LEU 653 Cb 0.32 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1jmm n LEU 653 CO 0.25 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 1jmm n GLY 654 N 1.33 0.81 3.45 -0.72 0.00 -1.07 -4.52 105.19 104.47 1jmm n GLY 654 Ca 0.04 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 1jmm n GLY 654 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jmm s VAL 655 N 0.00 0.03 -0.13 1.61 -7.23 -0.67 -2.88 120.40 111.13 1jmm s VAL 655 Ca 0.00 -1.33 0.01 0.00 -1.81 0.00 0.00 61.98 58.85 1jmm s VAL 655 Cb 0.00 -1.97 0.02 0.00 0.56 0.00 0.00 36.38 34.99 1jmm s VAL 655 CO 0.00 -0.14 -0.15 0.12 -0.31 0.00 0.00 175.10 174.61 1jmm s PHE 656 N -3.98 2.12 -0.09 2.82 5.36 0.27 -2.21 117.98 122.27 1jmm s PHE 656 Ca 0.19 -1.09 0.03 0.00 -0.96 0.00 0.00 56.93 55.09 1jmm s PHE 656 Cb 0.01 -1.53 -0.02 0.00 -0.34 0.00 0.00 43.02 41.14 1jmm s PHE 656 CO 0.03 -0.57 -0.17 0.00 -1.46 0.00 0.00 175.22 173.05 1jmm s ALA 657 N 1.19 2.50 -0.12 11.12 0.00 0.47 -0.47 121.76 136.45 1jmm s ALA 657 Ca -0.02 -0.96 -0.09 0.00 0.00 0.00 0.00 51.96 50.90 1jmm s ALA 657 Cb -0.14 -0.99 0.04 0.00 0.00 0.00 0.00 23.12 22.02 1jmm s ALA 657 CO -0.06 0.38 0.30 0.45 0.00 0.00 0.00 175.76 176.83 1jmm s SER 658 N -0.08 -0.32 0.00 0.00 0.15 -0.11 0.19 113.70 113.53 1jmm s SER 658 Ca -0.03 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.23 1jmm s SER 658 Cb -0.14 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1jmm s SER 658 CO 0.04 -0.12 0.93 0.00 1.20 0.00 0.00 173.24 175.28 1jmm n ALA 659 N 3.31 1.86 -1.81 5.45 0.00 -0.03 0.22 120.51 129.51 1jmm n ALA 659 Ca -0.16 -0.93 -0.42 0.00 0.00 0.00 0.00 53.44 51.93 1jmm n ALA 659 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 1jmm n ALA 659 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1jmm s TYR 660 N -0.86 1.70 -0.28 0.00 5.04 -1.24 -4.85 117.35 116.86 1jmm s TYR 660 Ca 0.00 -0.14 0.09 0.00 -2.44 0.00 0.00 57.07 54.58 1jmm s TYR 660 Cb 0.00 -4.11 0.48 0.00 0.35 0.00 0.00 41.96 38.68 1jmm s TYR 660 CO 0.00 -4.80 1.40 0.25 -1.34 0.00 0.00 175.55 171.05 1jmm n THR 661 N 5.36 2.50 0.00 4.34 -2.24 -1.26 -0.95 114.28 122.03 1jmm n THR 661 Ca 0.18 -3.04 0.00 0.00 -2.27 0.00 0.00 64.05 58.93 1jmm n THR 661 Cb 0.41 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1jmm n THR 661 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jmm n GLY 662 N -1.08 3.11 3.24 3.38 0.00 -1.26 -4.83 105.19 107.74 1jmm n GLY 662 Ca 0.32 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.10 1jmm n GLY 662 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jmm s GLN 663 N -0.61 1.16 0.83 1.61 1.11 -1.26 -5.02 119.66 117.49 1jmm s GLN 663 Ca 0.00 -1.01 -0.11 0.00 0.01 0.00 0.00 55.36 54.25 1jmm s GLN 663 Cb 0.00 -1.32 0.09 0.00 -1.01 0.00 0.00 33.01 30.77 1jmm s GLN 663 CO 0.00 0.32 1.09 0.14 0.01 0.00 0.00 175.29 176.85 1jmm s VAL 664 N -1.00 3.00 0.02 1.09 -7.23 -1.26 -4.83 120.40 110.20 1jmm s VAL 664 Ca 0.05 0.33 0.02 0.00 -1.81 0.00 0.00 61.98 60.57 1jmm s VAL 664 Cb -0.09 -2.85 -0.02 0.00 0.56 0.00 0.00 36.38 33.98 1jmm s VAL 664 CO 0.03 -0.43 -0.06 -1.61 -0.31 0.00 0.00 175.10 172.72 1jmm s GLU 665 N -4.95 0.44 0.14 4.82 2.02 0.19 -4.77 118.70 116.59 1jmm s GLU 665 Ca 0.62 -0.54 -0.03 0.00 0.02 0.00 0.00 54.97 55.05 1jmm s GLU 665 Cb -0.17 -0.26 -0.05 0.00 0.10 0.00 0.00 34.13 33.75 1jmm s GLU 665 CO 0.56 0.05 0.34 0.15 0.02 0.00 0.00 175.26 176.39 1jmm s LYS 666 N -1.06 3.56 -1.25 1.61 1.02 -1.26 -0.18 119.74 122.16 1jmm s LYS 666 Ca -0.07 -0.22 0.00 0.00 0.02 0.00 0.00 55.97 55.70 1jmm s LYS 666 Cb -0.07 -2.89 0.00 0.00 -0.52 0.00 0.00 37.83 34.35 1jmm s LYS 666 CO 0.00 0.48 0.00 0.09 -0.92 0.00 0.00 175.35 175.00 1jmm n ASN 667 N -0.04 -4.31 -3.93 2.83 3.02 -1.26 -4.95 115.26 106.62 1jmm n ASN 667 Ca -0.03 0.17 -0.13 0.00 -0.03 0.00 0.00 54.58 54.56 1jmm n ASN 667 Cb 0.52 -3.67 0.04 0.00 -0.61 0.00 0.00 39.78 36.06 1jmm n ASN 667 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1jmm n THR 668 N -3.37 0.00 -3.61 3.41 -2.24 -1.26 -4.85 114.28 102.36 1jmm n THR 668 Ca -0.17 -1.27 -0.01 0.00 -2.27 0.00 0.00 64.05 60.34 1jmm n THR 668 Cb 0.61 -0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 68.15 1jmm n THR 668 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1jmm s SER 669 N -3.36 -0.05 -0.17 3.42 1.04 -1.26 -1.15 113.70 112.17 1jmm s SER 669 Ca 0.40 -0.03 -0.05 0.00 0.48 0.00 0.00 55.95 56.75 1jmm s SER 669 Cb -0.03 0.07 0.08 0.00 0.10 0.00 0.00 66.02 66.24 1jmm s SER 669 CO 0.25 -0.12 0.32 -0.51 0.98 0.00 0.00 173.24 174.17 1jmm s ILE 670 N -2.19 -0.50 -0.04 -1.02 2.07 -0.65 -1.54 121.20 117.32 1jmm s ILE 670 Ca 0.12 0.18 0.05 0.00 -1.41 0.00 0.00 60.65 59.59 1jmm s ILE 670 Cb 0.02 -0.57 -0.01 0.00 0.13 0.00 0.00 42.46 42.03 1jmm s ILE 670 CO -0.04 0.05 -0.19 -0.36 -1.91 0.00 0.00 174.94 172.49 1jmm s PHE 671 N 2.49 1.83 -0.11 3.50 0.08 -1.26 -1.65 117.98 122.86 1jmm s PHE 671 Ca 0.02 -0.50 0.03 0.00 0.12 0.00 0.00 56.93 56.60 1jmm s PHE 671 Cb -0.13 -1.22 0.01 0.00 -0.57 0.00 0.00 43.02 41.11 1jmm s PHE 671 CO -0.11 -0.15 -0.21 0.42 -0.10 0.00 0.00 175.22 175.07 1jmm s ILE 672 N -0.08 1.89 0.03 0.64 -1.09 -0.12 -1.08 121.20 121.39 1jmm s ILE 672 Ca -0.02 -0.90 -0.24 0.00 -2.23 0.00 0.00 60.65 57.26 1jmm s ILE 672 Cb -0.11 -1.67 -0.05 0.00 -1.58 0.00 0.00 42.46 39.05 1jmm s ILE 672 CO 0.02 0.52 0.73 -0.54 -1.23 0.00 0.00 174.94 174.44 1jmm s LYS 673 N 0.62 4.46 -0.20 2.79 1.02 0.16 -1.49 119.74 127.09 1jmm s LYS 673 Ca -0.13 0.99 0.01 0.00 0.02 0.00 0.00 55.97 56.86 1jmm s LYS 673 Cb -0.17 -3.37 0.03 0.00 -0.52 0.00 0.00 37.83 33.81 1jmm s LYS 673 CO 0.03 0.28 -0.17 -0.80 -0.92 0.00 0.00 175.35 173.78 1jmm s ASN 674 N -0.02 3.53 -0.14 2.83 0.01 -0.07 -1.20 114.94 119.89 1jmm s ASN 674 Ca 0.37 -0.83 0.01 0.00 -0.71 0.00 0.00 52.86 51.70 1jmm s ASN 674 Cb -0.20 -1.51 -0.00 0.00 0.41 0.00 0.00 41.25 39.95 1jmm s ASN 674 CO 0.21 -0.05 -0.17 -0.70 -1.51 0.00 0.00 177.10 174.88 1jmm s GLU 675 N 1.25 3.18 0.02 -0.60 -6.30 -0.75 -0.89 118.70 114.62 1jmm s GLU 675 Ca 0.02 -0.78 0.01 0.00 -2.50 0.00 0.00 54.97 51.72 1jmm s GLU 675 Cb -0.15 -2.54 -0.02 0.00 0.00 0.00 0.00 34.13 31.42 1jmm s GLU 675 CO -0.10 0.06 -0.05 -0.59 0.02 0.00 0.00 175.26 174.60 1jmm s PHE 676 N 0.68 0.39 -0.03 5.30 -0.12 -0.24 -0.06 117.98 123.90 1jmm s PHE 676 Ca -0.08 -0.43 0.01 0.00 -0.05 0.00 0.00 56.93 56.37 1jmm s PHE 676 Cb -0.16 -0.25 0.02 0.00 -0.63 0.00 0.00 43.02 42.00 1jmm s PHE 676 CO 0.02 -0.12 -0.02 0.99 -0.05 0.00 0.00 175.22 176.04 1jmm s THR 677 N -1.18 0.34 -0.08 -4.49 2.01 -0.77 -2.39 115.64 109.09 1jmm s THR 677 Ca -0.11 -0.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.83 1jmm s THR 677 Cb -0.08 -0.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 1jmm s THR 677 CO -0.00 0.18 0.09 -0.36 -0.69 0.00 0.00 174.62 173.83 1jmm s PHE 678 N 0.91 3.40 0.11 4.92 0.40 -1.26 -1.27 117.98 125.18 1jmm s PHE 678 Ca -0.10 0.35 0.10 0.00 -0.60 0.00 0.00 56.93 56.67 1jmm s PHE 678 Cb -0.14 -1.84 -0.04 0.00 0.51 0.00 0.00 43.02 41.51 1jmm s PHE 678 CO -0.01 0.61 -0.25 0.71 0.70 0.00 0.00 175.22 176.99 1jmm s TYR 679 N -1.04 2.37 0.80 0.36 1.51 0.13 -0.07 117.35 121.41 1jmm s TYR 679 Ca 0.17 -0.36 -0.05 0.00 -1.01 0.00 0.00 57.07 55.82 1jmm s TYR 679 Cb -0.12 -1.31 0.16 0.00 -0.11 0.00 0.00 41.96 40.59 1jmm s TYR 679 CO 0.07 0.30 1.10 0.16 -1.11 0.00 0.00 175.55 176.07 1jmm s ASP 680 N -1.88 3.89 0.02 2.29 1.47 -0.40 -1.85 116.67 120.21 1jmm s ASP 680 Ca 0.14 -0.28 0.01 0.00 1.18 0.00 0.00 52.55 53.60 1jmm s ASP 680 Cb -0.10 0.06 0.05 0.00 -0.34 0.00 0.00 42.92 42.59 1jmm s ASP 680 CO 0.06 -2.19 1.02 -1.84 0.68 0.00 0.00 175.17 172.90 1jmm n GLU 681 N -3.13 0.01 -0.09 2.11 0.00 -1.23 -0.23 120.64 118.07 1jmm n GLU 681 Ca 0.16 0.49 0.10 0.00 0.00 0.00 0.00 57.16 57.91 1jmm n GLU 681 Cb 0.60 -1.54 0.14 0.00 0.00 0.00 0.00 31.44 30.64 1jmm n GLU 681 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1jmm n ASP 682 N -1.52 2.90 -0.05 -1.84 8.00 -1.26 -4.95 116.55 117.83 1jmm n ASP 682 Ca -0.00 -1.86 -0.01 0.00 0.71 0.00 0.00 54.79 53.63 1jmm n ASP 682 Cb 0.02 -0.12 -0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1jmm n ASP 682 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jmm n GLY 683 N 1.13 0.47 3.86 0.44 0.00 0.68 -5.03 105.19 106.74 1jmm n GLY 683 Ca 0.14 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 1jmm n GLY 683 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jmm s LYS 684 N -1.11 3.65 0.45 1.61 -0.14 -1.26 -4.81 119.74 118.13 1jmm s LYS 684 Ca 0.00 0.10 -0.25 0.00 -1.36 0.00 0.00 55.97 54.45 1jmm s LYS 684 Cb 0.00 -3.19 -0.09 0.00 -1.68 0.00 0.00 37.83 32.88 1jmm s LYS 684 CO 0.00 0.73 1.37 -2.30 -0.76 0.00 0.00 175.35 174.39 1jmm n PRO 685 N 1.81 2.10 -3.15 -1.68 -0.02 -1.26 -1.27 135.00 131.52 1jmm n PRO 685 Ca -0.16 0.75 -0.40 0.00 -2.02 0.00 0.00 63.50 61.66 1jmm n PRO 685 Cb 0.54 -2.54 -0.06 0.00 -0.02 0.00 0.00 33.50 31.41 1jmm n PRO 685 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1jmm s ILE 686 N -1.20 5.03 -0.92 4.25 1.01 0.91 -4.81 121.20 125.46 1jmm s ILE 686 Ca 0.62 1.09 -0.20 0.00 0.00 0.00 0.00 60.65 62.16 1jmm s ILE 686 Cb -0.47 -3.91 0.10 0.00 0.01 0.00 0.00 42.46 38.19 1jmm s ILE 686 CO 0.57 0.09 1.20 0.21 0.00 0.00 0.00 174.94 177.01 1jmm s ASN 687 N 1.32 6.54 0.50 3.58 2.47 -1.26 -3.92 114.94 124.17 1jmm s ASN 687 Ca 0.26 -1.76 -0.22 0.00 0.42 0.00 0.00 52.86 51.56 1jmm s ASN 687 Cb -0.16 -2.45 -0.07 0.00 -1.45 0.00 0.00 41.25 37.12 1jmm s ASN 687 CO 0.09 -1.23 1.15 0.49 -3.72 0.00 0.00 177.10 173.89 1jmm n PHE 688 N 7.33 1.62 -3.75 0.43 3.72 -0.91 -4.62 117.46 121.29 1jmm n PHE 688 Ca 0.23 0.48 -0.29 0.00 -0.05 0.00 0.00 57.45 57.82 1jmm n PHE 688 Cb 0.49 -2.28 -0.13 0.00 -0.94 0.00 0.00 39.48 36.62 1jmm n PHE 688 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1jmm s ASP 689 N -0.85 3.74 -1.22 4.37 2.15 -1.26 -1.27 116.67 122.33 1jmm s ASP 689 Ca 0.68 -2.85 -0.03 0.00 0.43 0.00 0.00 52.55 50.77 1jmm s ASP 689 Cb -0.47 -1.16 -0.01 0.00 -0.30 0.00 0.00 42.92 40.97 1jmm s ASP 689 CO 0.53 -0.24 0.81 0.59 -0.17 0.00 0.00 175.17 176.70 1jmm n ASN 690 N 3.26 -2.75 -4.85 -0.34 3.02 -1.26 -4.99 115.26 107.35 1jmm n ASN 690 Ca 0.11 -0.78 -0.32 0.00 -0.03 0.00 0.00 54.58 53.56 1jmm n ASN 690 Cb 0.35 -4.42 -0.03 0.00 -0.61 0.00 0.00 39.78 35.07 1jmm n ASN 690 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jmm s ALA 691 N -3.53 3.13 -0.24 5.41 0.00 -1.26 -4.78 121.76 120.49 1jmm s ALA 691 Ca 0.13 0.08 -0.09 0.00 0.00 0.00 0.00 51.96 52.09 1jmm s ALA 691 Cb -0.03 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 1jmm s ALA 691 CO 0.79 -0.21 0.11 -0.51 0.00 0.00 0.00 175.76 175.94 1jmm s LEU 692 N -4.09 3.78 -0.19 0.00 1.43 -1.26 -4.22 118.68 114.13 1jmm s LEU 692 Ca 0.57 -0.04 -0.07 0.00 -1.03 0.00 0.00 54.13 53.56 1jmm s LEU 692 Cb -0.10 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1jmm s LEU 692 CO 0.33 0.02 0.05 -0.22 0.23 0.00 0.00 176.35 176.75 1jmm s LEU 693 N 1.31 3.66 -0.10 1.79 2.96 -0.02 -4.60 118.68 123.69 1jmm s LEU 693 Ca 0.06 0.00 -0.27 0.00 -0.22 0.00 0.00 54.13 53.70 1jmm s LEU 693 Cb -0.15 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 1jmm s LEU 693 CO 0.05 0.14 0.89 -0.55 -1.32 0.00 0.00 176.35 175.56 1jmm s SER 694 N 0.55 7.13 -0.40 3.68 0.15 0.98 -1.20 113.70 124.59 1jmm s SER 694 Ca 0.02 1.38 0.02 0.00 0.70 0.00 0.00 55.95 58.07 1jmm s SER 694 Cb -0.13 -2.50 0.11 0.00 -1.71 0.00 0.00 66.02 61.79 1jmm s SER 694 CO 0.01 -0.33 0.13 0.68 1.20 0.00 0.00 173.24 174.94 1jmm s VAL 695 N 1.61 2.59 0.47 4.45 -7.23 -0.91 -3.94 120.40 117.44 1jmm s VAL 695 Ca 0.44 -2.48 0.02 0.00 -1.81 0.00 0.00 61.98 58.15 1jmm s VAL 695 Cb -0.18 -2.85 -0.02 0.00 0.56 0.00 0.00 36.38 33.89 1jmm s VAL 695 CO 0.18 -0.66 0.03 0.00 -0.31 0.00 0.00 175.10 174.34 1jmm s ALA 696 N 0.70 3.72 -1.46 1.32 0.00 -1.26 -0.04 121.76 124.75 1jmm s ALA 696 Ca 0.12 -0.77 -0.08 0.00 0.00 0.00 0.00 51.96 51.22 1jmm s ALA 696 Cb -0.21 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.16 1jmm s ALA 696 CO -0.06 -0.11 0.85 0.45 0.00 0.00 0.00 175.76 176.89 1jmm n SER 697 N -1.24 -5.66 -4.24 0.00 2.88 -0.84 -4.88 113.62 99.63 1jmm n SER 697 Ca -0.15 -0.48 -0.43 0.00 -1.33 0.00 0.00 58.87 56.49 1jmm n SER 697 Cb 0.67 -4.53 0.00 0.00 -0.75 0.00 0.00 64.21 59.59 1jmm n SER 697 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1jmm n LEU 698 N -4.43 5.74 -4.77 2.46 4.77 -0.46 -4.97 117.00 115.33 1jmm n LEU 698 Ca -0.03 -4.26 -0.40 0.00 -0.03 0.00 0.00 56.01 51.28 1jmm n LEU 698 Cb 0.57 -1.64 -0.00 0.00 -2.33 0.00 0.00 43.42 40.02 1jmm n LEU 698 CO 0.59 0.75 1.01 0.20 -1.33 0.00 0.00 177.39 178.61 1jmm s ASN 699 N 2.95 6.37 -0.18 -1.43 -0.87 -1.26 -4.54 114.94 115.98 1jmm s ASN 699 Ca 0.47 2.78 -0.05 0.00 -1.57 0.00 0.00 52.86 54.48 1jmm s ASN 699 Cb 0.05 -2.65 0.06 0.00 -0.02 0.00 0.00 41.25 38.70 1jmm s ASN 699 CO 0.01 -0.82 0.09 -0.60 -2.57 0.00 0.00 177.10 173.21 1jmm s ARG 700 N -2.13 0.08 0.54 -0.60 3.52 -1.26 -0.71 118.95 118.38 1jmm s ARG 700 Ca 0.55 -0.13 0.08 0.00 -0.13 0.00 0.00 55.73 56.10 1jmm s ARG 700 Cb -0.41 -1.77 0.07 0.00 -1.56 0.00 0.00 34.95 31.28 1jmm s ARG 700 CO 0.54 -0.70 0.75 -1.21 -0.81 0.00 0.00 175.30 173.86 1jmm s GLU 701 N 2.13 2.41 0.58 5.12 8.01 0.40 -1.81 118.70 135.54 1jmm s GLU 701 Ca 0.03 -1.49 0.28 0.00 0.01 0.00 0.00 54.97 53.80 1jmm s GLU 701 Cb -0.16 -2.65 1.64 0.00 -4.31 0.00 0.00 34.13 28.65 1jmm s GLU 701 CO -0.12 -0.74 2.12 1.12 0.01 0.00 0.00 175.26 177.65 1jmm h HIS 702 N 0.25 0.00 -0.00 1.61 2.07 -1.96 -2.82 115.15 114.30 1jmm h HIS 702 Ca -0.33 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.19 1jmm h HIS 702 Cb 1.29 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.27 1jmm h HIS 702 CO 0.38 0.00 -0.01 0.27 -3.07 0.00 0.00 177.93 175.51 1jmm n ASN 703 N -3.88 1.06 -3.92 3.10 6.94 -1.26 -4.57 115.26 112.73 1jmm n ASN 703 Ca 0.01 -1.03 -0.13 0.00 -0.02 0.00 0.00 54.58 53.40 1jmm n ASN 703 Cb 0.29 0.08 -0.14 0.00 -2.36 0.00 0.00 39.78 37.65 1jmm n ASN 703 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1jmm s SER 704 N -0.23 0.29 -0.10 0.53 0.15 -1.06 -1.05 113.70 112.22 1jmm s SER 704 Ca 0.02 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1jmm s SER 704 Cb 0.01 -0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.33 1jmm s SER 704 CO 0.03 0.00 -0.09 -0.63 1.20 0.00 0.00 173.24 173.75 1jmm s ILE 705 N -0.18 1.09 0.14 6.45 1.01 -0.21 -0.45 121.20 129.05 1jmm s ILE 705 Ca -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 1jmm s ILE 705 Cb -0.02 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 1jmm s ILE 705 CO -0.00 0.37 0.32 -0.70 0.00 0.00 0.00 174.94 174.93 1jmm s GLU 706 N 1.39 3.51 -0.02 2.79 2.12 0.11 -1.08 118.70 127.52 1jmm s GLU 706 Ca -0.01 -0.34 -0.03 0.00 0.36 0.00 0.00 54.97 54.96 1jmm s GLU 706 Cb -0.13 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.34 1jmm s GLU 706 CO -0.05 0.50 0.07 0.00 -0.54 0.00 0.00 175.26 175.24 1jmm s ALA 708 N -1.69 -0.17 0.38 6.30 0.00 -0.67 -4.49 121.76 121.42 1jmm s ALA 708 Ca 0.38 0.11 -0.12 0.00 0.00 0.00 0.00 51.96 52.32 1jmm s ALA 708 Cb -0.12 -0.08 0.04 0.00 0.00 0.00 0.00 23.12 22.96 1jmm s ALA 708 CO 0.27 -0.06 0.70 -1.59 0.00 0.00 0.00 175.76 175.08 1jmm s LYS 709 N -0.23 2.16 -1.03 0.00 -2.85 0.53 -0.49 119.74 117.81 1jmm s LYS 709 Ca -0.03 -1.54 -0.17 0.00 -1.00 0.00 0.00 55.97 53.23 1jmm s LYS 709 Cb -0.02 0.57 0.01 0.00 -2.06 0.00 0.00 37.83 36.34 1jmm s LYS 709 CO 0.00 -0.98 0.70 -0.25 0.10 0.00 0.00 175.35 174.92 1jmm n ASP 710 N -1.44 -5.08 -4.33 0.03 8.00 -1.26 -0.33 116.55 112.15 1jmm n ASP 710 Ca -0.06 -1.00 -0.21 0.00 0.71 0.00 0.00 54.79 54.24 1jmm n ASP 710 Cb 0.60 -2.54 -0.11 0.00 -0.02 0.00 0.00 41.12 39.05 1jmm n ASP 710 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1jmm s TYR 711 N -3.30 1.78 0.34 1.24 -0.85 -1.26 -3.34 117.35 111.96 1jmm s TYR 711 Ca 0.30 -0.49 -0.01 0.00 -0.52 0.00 0.00 57.07 56.35 1jmm s TYR 711 Cb -0.13 -0.87 -0.04 0.00 0.38 0.00 0.00 41.96 41.30 1jmm s TYR 711 CO 0.90 0.33 0.55 -1.54 -1.52 0.00 0.00 175.55 174.27 1jmm s SER 712 N -2.81 6.32 0.00 -0.18 1.04 -0.61 -4.98 113.70 112.48 1jmm s SER 712 Ca 0.17 0.51 0.00 0.00 0.48 0.00 0.00 55.95 57.11 1jmm s SER 712 Cb -0.05 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 64.02 1jmm s SER 712 CO 0.07 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.62 1jmm n GLY 713 N -1.62 -2.62 3.27 7.32 0.00 -1.26 -4.83 105.19 105.44 1jmm n GLY 713 Ca -0.04 -1.83 -0.32 0.00 0.00 0.00 0.00 46.02 43.83 1jmm n GLY 713 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jmm s LYS 714 N -0.46 2.84 0.28 1.61 -0.14 0.22 -4.91 119.74 119.17 1jmm s LYS 714 Ca 0.00 -0.86 -0.29 0.00 -1.36 0.00 0.00 55.97 53.46 1jmm s LYS 714 Cb 0.00 -2.28 -0.10 0.00 -1.68 0.00 0.00 37.83 33.77 1jmm s LYS 714 CO 0.00 0.29 1.14 0.12 -0.76 0.00 0.00 175.35 176.15 1jmm s PHE 715 N 0.07 3.48 -0.10 3.18 5.36 -1.26 0.42 117.98 129.12 1jmm s PHE 715 Ca -0.10 1.63 0.00 0.00 -0.96 0.00 0.00 56.93 57.50 1jmm s PHE 715 Cb -0.16 -3.36 0.02 0.00 -0.34 0.00 0.00 43.02 39.18 1jmm s PHE 715 CO 0.06 -0.82 -0.09 0.08 -1.46 0.00 0.00 175.22 172.99 1jmm s VAL 716 N -1.04 1.06 0.38 3.12 1.01 0.96 -4.89 120.40 121.00 1jmm s VAL 716 Ca 0.46 -0.34 -0.22 0.00 0.00 0.00 0.00 61.98 61.89 1jmm s VAL 716 Cb -0.33 -1.05 -0.10 0.00 0.00 0.00 0.00 36.38 34.89 1jmm s VAL 716 CO 0.43 0.37 0.92 -0.75 0.00 0.00 0.00 175.10 176.06 1jmm s LYS 717 N 1.47 4.29 -0.33 2.72 2.20 -1.26 -2.36 119.74 126.47 1jmm s LYS 717 Ca 0.01 1.11 -0.11 0.00 -0.36 0.00 0.00 55.97 56.62 1jmm s LYS 717 Cb -0.13 -2.39 -0.01 0.00 -1.51 0.00 0.00 37.83 33.79 1jmm s LYS 717 CO -0.06 0.08 0.19 0.42 -0.36 0.00 0.00 175.35 175.62 1jmm s ILE 718 N -1.99 4.82 0.08 5.43 1.01 -1.26 -0.89 121.20 128.38 1jmm s ILE 718 Ca 0.57 -0.41 -0.37 0.00 0.00 0.00 0.00 60.65 60.45 1jmm s ILE 718 Cb -0.12 -3.49 -0.17 0.00 0.01 0.00 0.00 42.46 38.69 1jmm s ILE 718 CO 0.16 0.01 1.25 -0.24 0.00 0.00 0.00 174.94 176.12 1jmm n SER 719 N 5.02 1.19 0.00 3.58 2.88 0.72 -0.72 113.62 126.30 1jmm n SER 719 Ca -0.13 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1jmm n SER 719 Cb 0.49 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 1jmm n SER 719 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jmm n GLY 720 N 2.23 2.48 3.79 0.46 0.00 -1.26 -1.27 105.19 111.61 1jmm n GLY 720 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1jmm n GLY 720 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jmm s SER 721 N -3.67 5.76 0.26 1.61 0.15 0.10 -4.92 113.70 113.00 1jmm s SER 721 Ca 0.00 1.93 0.26 0.00 0.70 0.00 0.00 55.95 58.84 1jmm s SER 721 Cb 0.00 -2.55 0.77 0.00 -1.71 0.00 0.00 66.02 62.53 1jmm s SER 721 CO 0.00 -1.19 1.75 0.77 1.20 0.00 0.00 173.24 175.77 1jmm h SER 722 N 0.71 0.00 -3.40 5.45 4.64 -1.40 -3.45 113.55 116.10 1jmm h SER 722 Ca -0.48 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.29 1jmm h SER 722 Cb 1.23 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.28 1jmm h SER 722 CO 0.57 0.00 0.19 -0.63 -0.87 0.00 0.00 176.83 176.09 1jmm s ILE 723 N -3.16 4.90 0.11 0.95 -1.09 -1.25 -3.31 121.20 118.35 1jmm s ILE 723 Ca 0.09 1.68 -0.00 0.00 -2.23 0.00 0.00 60.65 60.19 1jmm s ILE 723 Cb 0.11 -4.15 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 1jmm s ILE 723 CO 0.58 0.26 0.15 0.61 -1.23 0.00 0.00 174.94 175.31 1jmm n GLY 724 N 2.84 2.88 3.17 6.18 0.00 -0.48 -4.64 105.19 115.14 1jmm n GLY 724 Ca 0.01 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 1jmm n GLY 724 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jmm s GLU 725 N -2.27 2.69 -0.10 1.61 -6.30 -1.26 -1.80 118.70 111.26 1jmm s GLU 725 Ca 0.10 -0.77 -0.05 0.00 -2.50 0.00 0.00 54.97 51.75 1jmm s GLU 725 Cb -0.00 -2.07 0.05 0.00 0.00 0.00 0.00 34.13 32.11 1jmm s GLU 725 CO 0.07 0.15 0.23 0.21 0.02 0.00 0.00 175.26 175.94 1jmm s LYS 726 N 0.40 0.17 -1.44 4.30 2.47 -1.26 -4.88 119.74 119.50 1jmm s LYS 726 Ca -0.17 0.55 -0.08 0.00 -1.56 0.00 0.00 55.97 54.71 1jmm s LYS 726 Cb -0.17 -0.12 0.05 0.00 -1.46 0.00 0.00 37.83 36.12 1jmm s LYS 726 CO 0.07 -0.19 0.66 0.09 0.16 0.00 0.00 175.35 176.14 1jmm n ASN 727 N 4.48 -4.98 -1.17 1.43 5.03 -1.26 -4.74 115.26 114.04 1jmm n ASN 727 Ca -0.21 -0.42 0.00 0.00 0.87 0.00 0.00 54.58 54.82 1jmm n ASN 727 Cb 0.52 -4.04 0.00 0.00 -1.02 0.00 0.00 39.78 35.24 1jmm n ASN 727 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jmm n GLY 728 N -1.44 0.65 3.09 7.41 0.00 -1.26 -5.12 105.19 108.53 1jmm n GLY 728 Ca -0.04 -0.39 -0.05 0.00 0.00 0.00 0.00 46.02 45.54 1jmm n GLY 728 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jmm s ILE 730 N -2.94 -0.74 0.24 -0.61 1.01 0.35 -4.33 121.20 114.18 1jmm s ILE 730 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 60.65 60.44 1jmm s ILE 730 Cb 0.00 -0.85 0.07 0.00 0.01 0.00 0.00 42.46 41.69 1jmm s ILE 730 CO 0.00 -0.05 0.99 -0.72 0.00 0.00 0.00 174.94 175.16 1jmm s TYR 731 N 2.67 0.10 -0.97 3.97 1.13 -0.75 -1.66 117.35 121.84 1jmm s TYR 731 Ca 0.11 -0.57 -0.24 0.00 -1.41 0.00 0.00 57.07 54.96 1jmm s TYR 731 Cb -0.14 0.74 -0.03 0.00 -1.10 0.00 0.00 41.96 41.43 1jmm s TYR 731 CO -0.17 -1.09 1.83 0.00 -2.51 0.00 0.00 175.55 173.62 1jmm s ALA 732 N -2.11 1.95 0.34 9.51 0.00 -1.26 -1.38 121.76 128.81 1jmm s ALA 732 Ca 0.21 -1.78 0.04 0.00 0.00 0.00 0.00 51.96 50.43 1jmm s ALA 732 Cb -0.03 -4.57 0.62 0.00 0.00 0.00 0.00 23.12 19.14 1jmm s ALA 732 CO 0.07 -4.56 1.90 1.79 0.00 0.00 0.00 175.76 174.96 1jmm h THR 733 N 6.99 1.19 0.00 0.00 1.35 -1.83 -3.36 112.91 117.24 1jmm h THR 733 Ca 0.14 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1jmm h THR 733 Cb 0.99 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1jmm h THR 733 CO 1.27 0.25 -0.69 0.47 -0.25 0.00 0.00 175.52 176.56 1jmm n ASP 734 N -4.31 2.19 -4.11 5.36 8.00 -1.26 -5.08 116.55 117.34 1jmm n ASP 734 Ca 0.02 -0.29 -0.11 0.00 0.71 0.00 0.00 54.79 55.13 1jmm n ASP 734 Cb 0.21 1.09 -0.08 0.00 -0.02 0.00 0.00 41.12 42.32 1jmm n ASP 734 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1jmm s THR 735 N -1.83 0.01 0.82 -3.53 -4.23 -1.26 -4.93 115.64 100.69 1jmm s THR 735 Ca -0.00 -1.74 -0.09 0.00 -1.18 0.00 0.00 61.69 58.68 1jmm s THR 735 Cb 0.03 -2.34 0.14 0.00 1.34 0.00 0.00 72.50 71.67 1jmm s THR 735 CO 0.16 -0.03 1.14 -0.76 -0.54 0.00 0.00 174.62 174.59 1jmm s LEU 736 N -3.09 2.83 0.00 4.79 1.43 -0.52 -4.76 118.68 119.35 1jmm s LEU 736 Ca 0.31 0.08 0.10 0.00 -1.03 0.00 0.00 54.13 53.59 1jmm s LEU 736 Cb 0.04 -2.35 0.16 0.00 0.03 0.00 0.00 46.19 44.06 1jmm s LEU 736 CO 0.10 -2.18 0.99 -0.46 0.23 0.00 0.00 176.35 175.03 1jmm n ASN 737 N -3.25 0.12 -0.09 2.29 0.23 -0.75 -3.56 115.26 110.25 1jmm n ASN 737 Ca 0.14 -1.85 -0.14 0.00 -0.53 0.00 0.00 54.58 52.20 1jmm n ASN 737 Cb 0.60 -0.08 -0.07 0.00 -2.08 0.00 0.00 39.78 38.15 1jmm n ASN 737 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1jmm h PHE 738 N 0.37 0.00 -3.38 -2.53 3.57 -1.77 -3.45 116.94 109.76 1jmm h PHE 738 Ca -0.23 0.00 -0.51 0.00 3.53 0.00 0.00 57.97 60.76 1jmm h PHE 738 Cb 1.53 0.00 -0.34 0.00 2.79 0.00 0.00 35.95 39.93 1jmm h PHE 738 CO -0.00 0.81 -0.81 0.21 -2.23 0.00 0.00 178.31 176.29 1jmm s LYS 739 N -2.25 1.60 0.20 1.11 2.47 -1.26 -4.25 119.74 117.37 1jmm s LYS 739 Ca -0.21 -0.36 -0.32 0.00 -1.56 0.00 0.00 55.97 53.52 1jmm s LYS 739 Cb 0.03 -1.40 -0.15 0.00 -1.46 0.00 0.00 37.83 34.86 1jmm s LYS 739 CO 0.42 -0.04 1.18 0.94 0.16 0.00 0.00 175.35 178.01 1jmm n GLN 740 N 4.04 1.34 -0.13 4.03 7.27 -1.23 -1.09 117.38 131.63 1jmm n GLN 740 Ca -0.21 0.48 0.00 0.00 0.07 0.00 0.00 57.00 57.34 1jmm n GLN 740 Cb 0.51 -1.98 0.00 0.00 2.41 0.00 0.00 30.24 31.18 1jmm n GLN 740 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1jmm n GLY 741 N 1.90 2.69 3.48 1.69 0.00 0.17 -4.93 105.19 110.19 1jmm n GLY 741 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1jmm n GLY 741 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jmm s GLU 742 N -0.00 3.62 -1.48 1.61 2.02 -0.25 -4.51 118.70 119.71 1jmm s GLU 742 Ca 0.00 -0.52 -0.01 0.00 0.02 0.00 0.00 54.97 54.46 1jmm s GLU 742 Cb 0.00 -3.50 0.00 0.00 0.10 0.00 0.00 34.13 30.73 1jmm s GLU 742 CO 0.00 -0.27 0.13 0.41 0.02 0.00 0.00 175.26 175.55 1jmm n GLY 743 N 4.98 -0.36 2.42 -1.39 0.00 -1.26 -2.34 105.19 107.25 1jmm n GLY 743 Ca -0.15 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1jmm n GLY 743 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jmm n GLY 744 N -1.12 1.48 3.72 -0.02 0.00 -1.26 -1.44 105.19 106.55 1jmm n GLY 744 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1jmm n GLY 744 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jmm s SER 745 N -3.23 6.50 0.10 1.61 0.15 -0.99 -4.80 113.70 113.04 1jmm s SER 745 Ca 0.00 2.74 -0.07 0.00 0.70 0.00 0.00 55.95 59.31 1jmm s SER 745 Cb 0.00 -2.60 -0.19 0.00 -1.71 0.00 0.00 66.02 61.52 1jmm s SER 745 CO 0.00 -0.87 1.22 -0.09 1.20 0.00 0.00 173.24 174.69 1jmm h ARG 746 N 6.49 0.46 -4.63 5.44 2.43 -1.87 0.51 114.38 123.20 1jmm h ARG 746 Ca -0.43 -0.56 -0.22 0.00 -0.81 0.00 0.00 59.98 57.95 1jmm h ARG 746 Cb 1.21 0.18 -0.15 0.00 -0.42 0.00 0.00 29.97 30.78 1jmm h ARG 746 CO 0.91 1.21 -0.70 -1.58 -1.51 0.00 0.00 179.97 178.30 1jmm s TRP 747 N -3.09 0.87 0.00 2.20 0.51 -1.26 -4.62 118.94 113.55 1jmm s TRP 747 Ca -0.07 -0.91 0.00 0.00 -2.12 0.00 0.00 56.10 53.01 1jmm s TRP 747 Cb 0.08 -0.51 0.00 0.00 -0.81 0.00 0.00 33.47 32.23 1jmm s TRP 747 CO 0.89 -0.16 0.00 0.25 -0.51 0.00 0.00 176.95 177.42 1jmm n THR 748 N 0.02 0.00 0.00 2.01 -2.24 -1.26 -3.47 114.28 109.33 1jmm n THR 748 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1jmm n THR 748 Cb 0.61 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1jmm n THR 748 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jmm n TYR 750 N 0.00 0.00 -2.05 4.78 0.18 -1.26 -1.17 117.16 117.64 1jmm n TYR 750 Ca 0.00 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.36 1jmm n TYR 750 Cb 0.00 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 38.93 1jmm n TYR 750 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1jmm s LYS 751 N 0.00 4.24 0.00 -3.48 2.47 -1.26 -1.51 119.74 120.19 1jmm s LYS 751 Ca 0.00 2.19 0.00 0.00 -1.56 0.00 0.00 55.97 56.60 1jmm s LYS 751 Cb 0.00 -3.51 0.00 0.00 -1.46 0.00 0.00 37.83 32.86 1jmm s LYS 751 CO 0.00 -0.64 0.00 0.27 0.16 0.00 0.00 175.35 175.14 1jmm n ASN 752 N 5.17 0.00 -0.29 1.43 2.04 -1.26 -4.85 115.26 117.50 1jmm n ASN 752 Ca 0.14 -0.64 0.02 0.00 -0.44 0.00 0.00 54.58 53.66 1jmm n ASN 752 Cb 0.41 0.00 0.15 0.00 -2.53 0.00 0.00 39.78 37.81 1jmm n ASN 752 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 1jmm h SER 753 N 0.00 0.72 -3.90 0.53 4.64 -2.01 -3.44 113.55 110.09 1jmm h SER 753 Ca 0.00 0.03 -0.51 0.00 -0.47 0.00 0.00 61.79 60.85 1jmm h SER 753 Cb 0.00 -0.11 0.05 0.00 -0.31 0.00 0.00 62.40 62.03 1jmm h SER 753 CO 0.00 0.44 0.52 0.00 -0.87 0.00 0.00 176.83 176.92 1jmm s GLN 754 N -6.05 4.24 0.45 4.77 -2.07 -1.26 -4.99 119.66 114.76 1jmm s GLN 754 Ca -0.12 1.90 -0.25 0.00 -1.82 0.00 0.00 55.36 55.06 1jmm s GLN 754 Cb 0.19 -2.86 -0.08 0.00 -1.09 0.00 0.00 33.01 29.16 1jmm s GLN 754 CO 0.78 -0.17 1.44 0.00 -1.32 0.00 0.00 175.29 176.02 1jmm s ALA 755 N -1.31 3.26 0.00 2.60 0.00 -1.26 -2.48 121.76 122.57 1jmm s ALA 755 Ca 0.53 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.97 1jmm s ALA 755 Cb -0.33 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.20 1jmm s ALA 755 CO 0.42 -1.20 0.00 0.41 0.00 0.00 0.00 175.76 175.39 1jmm n GLY 756 N 0.57 2.32 3.57 0.00 0.00 -1.26 -4.89 105.19 105.50 1jmm n GLY 756 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1jmm n GLY 756 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jmm s SER 757 N -3.55 1.80 -1.21 1.61 1.04 -1.04 -3.63 113.70 108.72 1jmm s SER 757 Ca 0.00 1.58 0.00 0.00 0.48 0.00 0.00 55.95 58.01 1jmm s SER 757 Cb 0.00 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.85 1jmm s SER 757 CO 0.00 -3.70 0.00 0.61 0.98 0.00 0.00 173.24 171.13 1jmm n GLY 758 N 0.20 -0.03 0.27 7.32 0.00 -0.32 -4.64 105.19 108.00 1jmm n GLY 758 Ca 0.05 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 45.89 1jmm n GLY 758 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1jmm h TRP 759 N 0.00 0.00 -1.72 1.61 5.08 -1.62 -3.36 115.95 115.93 1jmm h TRP 759 Ca -0.32 0.00 -0.73 0.00 1.08 0.00 0.00 58.89 58.92 1jmm h TRP 759 Cb 1.21 0.00 -0.15 0.00 -3.00 0.00 0.00 29.16 27.22 1jmm h TRP 759 CO 0.37 0.11 1.69 -3.47 -1.28 0.00 0.00 178.44 175.86 1jmm n ASP 760 N -3.59 5.10 -3.74 0.11 2.03 -1.26 -3.69 116.55 111.51 1jmm n ASP 760 Ca -0.02 -2.98 -0.10 0.00 0.52 0.00 0.00 54.79 52.22 1jmm n ASP 760 Cb 0.24 -1.60 -0.04 0.00 -0.72 0.00 0.00 41.12 39.00 1jmm n ASP 760 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1jmm s SER 761 N 2.84 -0.26 0.33 1.67 1.04 -1.26 -4.94 113.70 113.11 1jmm s SER 761 Ca 0.45 -0.49 0.16 0.00 0.48 0.00 0.00 55.95 56.55 1jmm s SER 761 Cb 0.01 0.59 0.52 0.00 0.10 0.00 0.00 66.02 67.24 1jmm s SER 761 CO 0.01 -1.07 1.67 0.77 0.98 0.00 0.00 173.24 175.61 1jmm h SER 762 N 2.18 0.00 -0.02 7.02 4.64 -1.95 -3.29 113.55 122.13 1jmm h SER 762 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1jmm h SER 762 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1jmm h SER 762 CO 0.37 0.48 -0.18 0.47 -0.87 0.00 0.00 176.83 177.09 1jmm n ASP 763 N -3.61 2.28 -4.71 4.97 8.00 -1.26 -4.99 116.55 117.23 1jmm n ASP 763 Ca -0.00 -1.64 -0.43 0.00 0.71 0.00 0.00 54.79 53.43 1jmm n ASP 763 Cb 0.56 0.22 -0.02 0.00 -0.02 0.00 0.00 41.12 41.86 1jmm n ASP 763 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jmm n ALA 764 N 0.57 1.72 0.31 2.24 0.00 -1.24 -4.85 120.51 119.26 1jmm n ALA 764 Ca 0.10 0.39 0.16 0.00 0.00 0.00 0.00 53.44 54.09 1jmm n ALA 764 Cb 0.45 -2.35 0.72 0.00 0.00 0.00 0.00 19.45 18.27 1jmm n ALA 764 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1jmm h PRO 765 N 4.16 0.00 -0.05 0.00 0.13 -1.92 -2.76 132.00 131.56 1jmm h PRO 765 Ca -0.46 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 1jmm h PRO 765 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1jmm h PRO 765 CO 0.75 0.00 -0.41 0.27 -0.23 0.00 0.00 178.00 178.38 1jmm n ASN 766 N -2.74 1.86 0.17 1.44 6.94 -1.26 -4.70 115.26 116.97 1jmm n ASN 766 Ca 0.00 -3.84 0.13 0.00 -0.02 0.00 0.00 54.58 50.85 1jmm n ASN 766 Cb 0.20 -0.54 0.59 0.00 -2.36 0.00 0.00 39.78 37.68 1jmm n ASN 766 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 1jmm h SER 767 N 0.94 0.00 0.26 0.53 4.64 -1.56 -1.92 113.55 116.44 1jmm h SER 767 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1jmm h SER 767 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1jmm h SER 767 CO 0.05 0.00 0.00 4.11 -0.87 0.00 0.00 176.83 180.12 1jmm h TRP 768 N 0.00 0.00 -0.01 4.77 5.08 -1.84 -2.52 115.95 121.42 1jmm h TRP 768 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1jmm h TRP 768 Cb 0.22 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.38 1jmm h TRP 768 CO 0.00 0.00 0.01 -0.92 -1.28 0.00 0.00 178.44 176.25 1jmm h TYR 769 N 0.00 0.00 -0.01 0.12 3.20 -1.70 -2.02 116.97 116.56 1jmm h TYR 769 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1jmm h TYR 769 Cb 0.13 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 1jmm h TYR 769 CO 0.00 0.00 -0.31 0.41 -1.64 0.00 0.00 178.16 176.62 1jmm n GLY 770 N -1.45 5.04 3.30 1.82 0.00 -0.95 -1.18 105.19 111.77 1jmm n GLY 770 Ca -0.03 -1.25 -0.16 0.00 0.00 0.00 0.00 46.02 44.59 1jmm n GLY 770 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jmm s ALA 771 N -3.11 1.64 0.00 4.61 0.00 -0.76 -1.35 121.76 122.79 1jmm s ALA 771 Ca 0.36 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.63 1jmm s ALA 771 Cb 0.34 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.95 1jmm s ALA 771 CO -0.03 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1jmm n GLY 772 N -0.35 3.17 3.29 0.00 0.00 0.95 -4.58 105.19 107.67 1jmm n GLY 772 Ca -0.06 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.75 1jmm n GLY 772 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jmm s ALA 773 N -1.33 -0.82 -0.09 4.61 0.00 -0.99 -2.14 121.76 121.01 1jmm s ALA 773 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 51.96 51.94 1jmm s ALA 773 Cb 0.00 0.55 0.01 0.00 0.00 0.00 0.00 23.12 23.68 1jmm s ALA 773 CO 0.00 -0.56 -0.18 0.42 0.00 0.00 0.00 175.76 175.44 1jmm s ILE 774 N -3.40 1.62 0.37 0.00 1.01 -0.34 -0.03 121.20 120.43 1jmm s ILE 774 Ca 0.01 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 1jmm s ILE 774 Cb 0.01 -1.44 -0.05 0.00 0.01 0.00 0.00 42.46 41.00 1jmm s ILE 774 CO -0.09 0.46 0.66 -0.54 0.00 0.00 0.00 174.94 175.44 1jmm s LYS 775 N 0.58 3.62 -0.09 2.79 1.02 0.17 -0.84 119.74 126.99 1jmm s LYS 775 Ca -0.15 0.12 -0.32 0.00 0.02 0.00 0.00 55.97 55.64 1jmm s LYS 775 Cb -0.17 -2.52 0.14 0.00 -0.52 0.00 0.00 37.83 34.76 1jmm s LYS 775 CO 0.05 0.04 1.42 -1.12 -0.92 0.00 0.00 175.35 174.82 1jmm s SER 777 N -3.53 -0.01 0.00 2.83 0.01 -1.26 -0.61 113.70 111.14 1jmm s SER 777 Ca 0.46 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.70 1jmm s SER 777 Cb -0.10 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.15 1jmm s SER 777 CO 0.35 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.57 1jmm n GLY 778 N -0.60 -0.25 0.09 3.44 0.00 -0.40 -4.75 105.19 102.73 1jmm n GLY 778 Ca -0.07 -1.69 0.12 0.00 0.00 0.00 0.00 46.02 44.38 1jmm n GLY 778 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jmm h PRO 779 N 0.00 0.00 -4.07 1.61 0.13 -1.89 -2.41 132.00 125.37 1jmm h PRO 779 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 1jmm h PRO 779 Cb 0.00 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 30.76 1jmm h PRO 779 CO 0.00 0.00 -0.79 1.21 -0.23 0.00 0.00 178.00 178.19 1jmm s ASN 780 N -4.50 1.97 0.23 1.44 3.84 -1.26 -4.48 114.94 112.18 1jmm s ASN 780 Ca 0.08 -0.23 0.04 0.00 0.21 0.00 0.00 52.86 52.96 1jmm s ASN 780 Cb 0.12 -0.71 -0.05 0.00 -0.55 0.00 0.00 41.25 40.06 1jmm s ASN 780 CO 0.66 -0.14 -0.02 0.20 -2.79 0.00 0.00 177.10 175.01 1jmm s ASN 781 N 1.75 1.98 0.09 -4.21 0.01 -1.01 -5.01 114.94 108.53 1jmm s ASN 781 Ca 0.04 -1.20 -0.24 0.00 -0.71 0.00 0.00 52.86 50.76 1jmm s ASN 781 Cb -0.13 -0.02 0.06 0.00 0.41 0.00 0.00 41.25 41.58 1jmm s ASN 781 CO -0.07 -0.47 0.57 -1.38 -1.51 0.00 0.00 177.10 174.25 1jmm s HIS 782 N -3.34 -0.50 -0.27 2.20 -3.43 -1.26 -1.07 115.29 107.62 1jmm s HIS 782 Ca 0.28 0.46 -0.25 0.00 -0.80 0.00 0.00 55.06 54.75 1jmm s HIS 782 Cb 0.05 0.45 0.07 0.00 -1.43 0.00 0.00 32.58 31.72 1jmm s HIS 782 CO 0.08 -0.74 0.72 0.54 -2.00 0.00 0.00 174.74 173.35 1jmm s VAL 783 N -2.97 0.00 -0.22 -5.38 0.11 -0.07 -1.57 120.40 110.30 1jmm s VAL 783 Ca -0.03 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.93 1jmm s VAL 783 Cb -0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 1jmm s VAL 783 CO -0.06 0.00 0.12 -0.89 -3.33 0.00 0.00 175.10 170.94 1jmm s THR 784 N 0.39 5.09 -0.02 5.04 2.01 0.56 -0.89 115.64 127.81 1jmm s THR 784 Ca -0.00 0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.15 1jmm s THR 784 Cb -0.05 -3.34 -0.02 0.00 0.01 0.00 0.00 72.50 69.10 1jmm s THR 784 CO 0.01 0.39 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.42 1jmm s VAL 785 N 0.82 1.74 0.13 3.82 1.01 -0.55 -0.35 120.40 127.02 1jmm s VAL 785 Ca 0.06 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 60.86 1jmm s VAL 785 Cb -0.13 -1.45 0.08 0.00 0.00 0.00 0.00 36.38 34.88 1jmm s VAL 785 CO 0.02 0.49 1.11 -0.83 0.00 0.00 0.00 175.10 175.89 1jmm s GLY 786 N -0.47 0.04 -0.05 4.51 0.00 -1.26 -0.95 107.32 109.14 1jmm s GLY 786 Ca 0.07 -0.22 0.05 0.00 0.00 0.00 0.00 44.72 44.63 1jmm s GLY 786 CO -0.00 3.19 -0.21 0.00 0.00 0.00 0.00 173.10 176.07 1jmm s ALA 787 N -2.15 1.87 0.01 3.20 0.00 -0.66 -4.41 121.76 119.63 1jmm s ALA 787 Ca 0.24 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1jmm s ALA 787 Cb -0.02 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 1jmm s ALA 787 CO 0.04 0.35 -0.02 -0.08 0.00 0.00 0.00 175.76 176.05 1jmm s THR 788 N -0.07 0.09 0.32 0.00 -1.32 -0.24 -1.64 115.64 112.79 1jmm s THR 788 Ca -0.04 -0.58 -0.29 0.00 -1.21 0.00 0.00 61.69 59.58 1jmm s THR 788 Cb -0.13 -0.19 -0.12 0.00 -1.51 0.00 0.00 72.50 70.55 1jmm s THR 788 CO 0.03 -0.30 1.37 -1.20 -2.21 0.00 0.00 174.62 172.30 1jmm n SER 789 N 2.15 3.00 -0.20 8.08 7.64 -0.30 -1.05 113.62 132.94 1jmm n SER 789 Ca -0.19 1.19 0.16 0.00 1.01 0.00 0.00 58.87 61.04 1jmm n SER 789 Cb 0.57 -1.50 0.49 0.00 -1.01 0.00 0.00 64.21 62.76 1jmm n SER 789 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jmm h ALA 790 N 3.13 2.11 0.00 -0.43 0.00 -1.38 -0.64 119.26 122.05 1jmm h ALA 790 Ca -0.47 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1jmm h ALA 790 Cb 1.27 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1jmm h ALA 790 CO 0.67 -0.35 -0.01 1.79 0.00 0.00 0.00 179.25 181.35 1jmm h THR 791 N 0.45 0.35 0.00 0.00 1.35 -1.83 -1.01 112.91 112.22 1jmm h THR 791 Ca 0.41 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 66.23 1jmm h THR 791 Cb 0.95 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1jmm h THR 791 CO -0.15 0.01 -0.00 0.59 -0.25 0.00 0.00 175.52 175.72 1jmm n ASN 792 N -3.57 0.40 -0.00 5.36 3.02 -0.25 -4.77 115.26 115.45 1jmm n ASN 792 Ca -0.03 0.54 0.08 0.00 -0.03 0.00 0.00 54.58 55.14 1jmm n ASN 792 Cb 0.09 -0.64 -0.11 0.00 -0.61 0.00 0.00 39.78 38.51 1jmm n ASN 792 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1jmm n VAL 793 N -1.87 0.00 -2.86 2.41 0.31 -0.38 -5.08 118.33 110.86 1jmm n VAL 793 Ca 0.06 -0.17 -0.35 0.00 -0.01 0.00 0.00 64.34 63.87 1jmm n VAL 793 Cb 0.38 0.78 -0.07 0.00 -0.91 0.00 0.00 33.84 34.03 1jmm n VAL 793 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1jmm s PRO 795 N -2.76 4.35 0.38 5.55 0.02 -1.26 -5.16 135.00 136.12 1jmm s PRO 795 Ca 0.03 1.13 0.08 0.00 0.02 0.00 0.00 61.00 62.27 1jmm s PRO 795 Cb 0.12 -2.50 0.83 0.00 0.02 0.00 0.00 34.50 32.98 1jmm s PRO 795 CO 0.71 0.14 1.96 0.28 -0.33 0.00 0.00 177.00 179.76 1jmm h VAL 796 N 2.26 0.97 0.00 3.83 2.07 -1.94 -1.94 116.25 121.49 1jmm h VAL 796 Ca -0.48 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1jmm h VAL 796 Cb 1.18 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1jmm h VAL 796 CO 0.63 0.12 0.00 -1.54 0.02 0.00 0.00 177.57 176.80 1jmm n SER 797 N -4.48 0.00 -3.06 0.57 3.41 -1.26 -4.84 113.62 103.96 1jmm n SER 797 Ca 0.11 0.44 -0.39 0.00 -0.26 0.00 0.00 58.87 58.77 1jmm n SER 797 Cb 0.28 -0.47 0.03 0.00 -0.26 0.00 0.00 64.21 63.79 1jmm n SER 797 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1jmm n ASP 798 N -1.47 7.12 -4.74 4.04 8.00 -0.73 -5.13 116.55 123.63 1jmm n ASP 798 Ca 0.03 -3.79 -0.32 0.00 0.71 0.00 0.00 54.79 51.42 1jmm n ASP 798 Cb 0.13 -1.02 -0.08 0.00 -0.02 0.00 0.00 41.12 40.14 1jmm n ASP 798 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1jmm s PRO 800 N -4.07 2.91 -0.20 -0.24 0.02 -1.26 -5.03 135.00 127.12 1jmm s PRO 800 Ca 0.48 -0.59 -0.07 0.00 0.02 0.00 0.00 61.00 60.84 1jmm s PRO 800 Cb 0.37 -2.75 -0.04 0.00 0.02 0.00 0.00 34.50 32.10 1jmm s PRO 800 CO -0.32 0.62 0.07 0.08 -0.33 0.00 0.00 177.00 177.12 1jmm s VAL 801 N -1.20 4.66 -0.43 3.83 1.01 -1.26 -4.96 120.40 122.04 1jmm s VAL 801 Ca 0.23 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.18 1jmm s VAL 801 Cb -0.12 -3.12 0.12 0.00 0.00 0.00 0.00 36.38 33.25 1jmm s VAL 801 CO 0.14 0.42 0.16 -0.69 0.00 0.00 0.00 175.10 175.13 1jmm s VAL 802 N 0.78 2.36 0.01 2.92 1.01 -1.26 -4.38 120.40 121.83 1jmm s VAL 802 Ca 0.04 -2.82 -0.38 0.00 0.00 0.00 0.00 61.98 58.81 1jmm s VAL 802 Cb -0.13 -2.69 -0.17 0.00 0.00 0.00 0.00 36.38 33.39 1jmm s VAL 802 CO 0.02 -0.71 1.37 -2.65 0.00 0.00 0.00 175.10 173.13 1jmm n PRO 803 N 3.66 0.98 -0.07 2.72 -0.02 -1.26 -0.84 135.00 140.18 1jmm n PRO 803 Ca 0.05 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1jmm n PRO 803 Cb 0.37 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1jmm n PRO 803 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jmm n GLY 804 N 2.68 0.57 3.09 -1.23 0.00 -1.26 -5.05 105.19 104.00 1jmm n GLY 804 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 1jmm n GLY 804 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jmm s LYS 805 N -0.81 1.94 -0.37 1.61 1.02 -0.02 -5.11 119.74 118.00 1jmm s LYS 805 Ca 0.00 -0.55 -0.21 0.00 0.02 0.00 0.00 55.97 55.23 1jmm s LYS 805 Cb 0.00 -1.59 0.01 0.00 -0.52 0.00 0.00 37.83 35.72 1jmm s LYS 805 CO 0.00 0.12 0.68 0.34 -0.92 0.00 0.00 175.35 175.57 1jmm s ASP 806 N 0.40 6.45 0.00 2.83 -1.08 -1.26 -4.64 116.67 119.37 1jmm s ASP 806 Ca -0.12 0.15 0.05 0.00 -0.52 0.00 0.00 52.55 52.12 1jmm s ASP 806 Cb -0.15 -2.34 0.23 0.00 -1.46 0.00 0.00 42.92 39.20 1jmm s ASP 806 CO 0.04 -0.65 1.11 0.59 0.52 0.00 0.00 175.17 176.78 1jmm n ASN 807 N 6.17 0.00 0.08 -0.34 3.02 -1.26 -1.62 115.26 121.31 1jmm n ASN 807 Ca -0.00 0.41 0.12 0.00 -0.03 0.00 0.00 54.58 55.08 1jmm n ASN 807 Cb 0.48 -0.43 0.16 0.00 -0.61 0.00 0.00 39.78 39.39 1jmm n ASN 807 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1jmm h THR 808 N 0.00 0.00 -2.10 3.41 2.02 -1.91 -3.40 112.91 110.93 1jmm h THR 808 Ca 0.00 -0.61 -0.63 0.00 0.77 0.00 0.00 66.41 65.94 1jmm h THR 808 Cb 0.08 1.24 0.10 0.00 -1.74 0.00 0.00 68.15 67.82 1jmm h THR 808 CO 0.00 0.00 0.11 0.47 0.37 0.00 0.00 175.52 176.47 1jmm n ASP 809 N -2.28 1.03 -4.67 4.18 8.00 -0.64 -4.81 116.55 117.35 1jmm n ASP 809 Ca 0.03 1.16 -0.29 0.00 0.71 0.00 0.00 54.79 56.40 1jmm n ASP 809 Cb 0.46 -1.22 0.18 0.00 -0.02 0.00 0.00 41.12 40.52 1jmm n ASP 809 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1jmm s GLY 810 N -0.39 1.56 0.17 0.44 0.00 -1.26 -4.86 107.32 102.98 1jmm s GLY 810 Ca 0.65 -0.42 -0.01 0.00 0.00 0.00 0.00 44.72 44.94 1jmm s GLY 810 CO 0.57 0.20 0.08 -1.59 0.00 0.00 0.00 173.10 172.36 1jmm s LYS 811 N -5.02 1.08 0.05 2.90 -2.85 0.74 -4.61 119.74 112.02 1jmm s LYS 811 Ca 0.65 -1.54 -0.30 0.00 -1.00 0.00 0.00 55.97 53.78 1jmm s LYS 811 Cb -0.18 0.19 -0.05 0.00 -2.06 0.00 0.00 37.83 35.73 1jmm s LYS 811 CO 0.57 -0.31 1.09 0.15 0.10 0.00 0.00 175.35 176.95 1jmm s LYS 812 N -4.08 4.51 -1.51 1.78 1.02 -1.26 -0.64 119.74 119.55 1jmm s LYS 812 Ca 0.31 1.60 -0.10 0.00 0.02 0.00 0.00 55.97 57.80 1jmm s LYS 812 Cb 0.07 -3.39 -0.01 0.00 -0.52 0.00 0.00 37.83 33.98 1jmm s LYS 812 CO 0.07 -0.13 2.63 -0.35 -0.92 0.00 0.00 175.35 176.65 1jmm n PRO 813 N 3.76 3.67 -4.22 -1.68 -0.04 -1.26 -4.86 135.00 130.37 1jmm n PRO 813 Ca 0.07 -2.60 -0.13 0.00 -0.04 0.00 0.00 63.50 60.80 1jmm n PRO 813 Cb 0.48 -2.89 -0.10 0.00 -0.04 0.00 0.00 33.50 30.96 1jmm n PRO 813 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1jmm s ASN 814 N 1.99 0.47 -0.19 3.54 2.20 -1.26 -0.85 114.94 120.83 1jmm s ASN 814 Ca 0.60 -1.35 -0.29 0.00 -0.94 0.00 0.00 52.86 50.88 1jmm s ASN 814 Cb 0.17 0.30 0.14 0.00 -2.00 0.00 0.00 41.25 39.86 1jmm s ASN 814 CO -0.07 -0.79 1.06 -0.51 -2.94 0.00 0.00 177.10 173.86 1jmm s ILE 815 N -4.02 0.00 -0.12 0.54 2.07 0.13 -4.83 121.20 114.97 1jmm s ILE 815 Ca 0.36 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.63 1jmm s ILE 815 Cb 0.07 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.67 1jmm s ILE 815 CO 0.11 0.00 -0.21 0.86 -1.91 0.00 0.00 174.94 173.78 1jmm s TRP 816 N -0.89 2.49 0.21 3.50 -0.00 -1.26 -0.40 118.94 122.58 1jmm s TRP 816 Ca 0.00 -1.16 -0.15 0.00 -0.00 0.00 0.00 56.10 54.80 1jmm s TRP 816 Cb -0.01 -1.70 0.01 0.00 -0.00 0.00 0.00 33.47 31.77 1jmm s TRP 816 CO -0.01 -0.52 0.48 1.52 -0.00 0.00 0.00 176.95 178.42 1jmm s TYR 817 N 0.67 0.09 0.10 5.86 -0.85 -0.94 -5.04 117.35 117.25 1jmm s TYR 817 Ca -0.11 -0.45 -0.12 0.00 -0.52 0.00 0.00 57.07 55.86 1jmm s TYR 817 Cb -0.16 0.28 0.02 0.00 0.38 0.00 0.00 41.96 42.47 1jmm s TYR 817 CO 0.02 -0.92 0.30 -1.54 -1.52 0.00 0.00 175.55 171.89 1jmm s SER 818 N -2.93 -0.06 -0.21 -0.18 1.04 -1.26 -1.68 113.70 108.42 1jmm s SER 818 Ca 0.14 -0.45 -0.02 0.00 0.48 0.00 0.00 55.95 56.10 1jmm s SER 818 Cb -0.00 0.40 0.06 0.00 0.10 0.00 0.00 66.02 66.58 1jmm s SER 818 CO 0.01 -0.77 0.01 -0.76 0.98 0.00 0.00 173.24 172.72 1jmm s LEU 819 N -2.74 1.57 0.00 2.42 1.43 -1.26 -4.70 118.68 115.39 1jmm s LEU 819 Ca 0.03 -0.93 0.02 0.00 -1.03 0.00 0.00 54.13 52.21 1jmm s LEU 819 Cb 0.03 -0.75 -0.01 0.00 0.03 0.00 0.00 46.19 45.49 1jmm s LEU 819 CO -0.11 -0.29 0.12 -0.46 0.23 0.00 0.00 176.35 175.84 1jmm n ASN 820 N 4.95 -0.31 -1.04 2.29 0.23 -1.25 -4.88 115.26 115.24 1jmm n ASN 820 Ca -0.10 -1.72 0.09 0.00 -0.53 0.00 0.00 54.58 52.33 1jmm n ASN 820 Cb 0.46 0.67 0.25 0.00 -2.08 0.00 0.00 39.78 39.08 1jmm n ASN 820 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jmm n GLY 821 N -0.21 1.63 2.79 4.83 0.00 0.11 -0.01 105.19 114.33 1jmm n GLY 821 Ca 0.02 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 1jmm n GLY 821 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jmm n LYS 822 N 1.15 2.61 -1.65 1.61 4.81 -1.24 -4.71 118.16 120.73 1jmm n LYS 822 Ca 0.19 -2.46 -0.47 0.00 -0.87 0.00 0.00 58.31 54.70 1jmm n LYS 822 Cb 0.47 -3.22 -0.04 0.00 0.02 0.00 0.00 35.03 32.26 1jmm n LYS 822 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 1jmm n ILE 823 N 5.25 0.12 1.41 3.15 0.13 -1.26 -4.83 119.36 123.32 1jmm n ILE 823 Ca 0.52 -0.03 0.14 0.00 -1.10 0.00 0.00 62.75 62.28 1jmm n ILE 823 Cb 0.39 -1.40 0.62 0.00 -0.84 0.00 0.00 39.64 38.42 1jmm n ILE 823 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 1jmm n ARG 824 N 3.08 0.67 -1.10 9.51 5.12 -1.26 -4.89 116.66 127.79 1jmm n ARG 824 Ca 0.17 -0.22 -0.30 0.00 -1.93 0.00 0.00 57.85 55.57 1jmm n ARG 824 Cb 0.27 -1.50 0.14 0.00 -1.16 0.00 0.00 32.46 30.22 1jmm n ARG 824 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jmm s ALA 825 N -2.48 1.54 0.35 7.54 0.00 -1.26 -4.15 121.76 123.30 1jmm s ALA 825 Ca 0.29 0.10 -0.08 0.00 0.00 0.00 0.00 51.96 52.26 1jmm s ALA 825 Cb 0.20 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 20.01 1jmm s ALA 825 CO 0.47 -2.39 0.67 0.14 0.00 0.00 0.00 175.76 174.65 1jmm s VAL 826 N -2.85 4.89 -1.51 0.00 -7.23 0.23 -4.50 120.40 109.43 1jmm s VAL 826 Ca 0.64 0.38 -0.02 0.00 -1.81 0.00 0.00 61.98 61.16 1jmm s VAL 826 Cb -0.19 -3.73 0.02 0.00 0.56 0.00 0.00 36.38 33.05 1jmm s VAL 826 CO 0.57 -0.41 0.27 0.59 -0.31 0.00 0.00 175.10 175.81 1jmm n ASN 827 N -1.09 -0.04 -4.63 4.85 3.02 -1.26 -4.77 115.26 111.34 1jmm n ASN 827 Ca 0.01 -1.14 -0.41 0.00 -0.03 0.00 0.00 54.58 53.01 1jmm n ASN 827 Cb 0.54 -2.34 -0.05 0.00 -0.61 0.00 0.00 39.78 37.31 1jmm n ASN 827 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jmm s VAL 828 N -4.07 4.89 0.15 2.41 1.01 -1.26 -5.01 120.40 118.52 1jmm s VAL 828 Ca 0.09 1.27 -0.31 0.00 0.00 0.00 0.00 61.98 63.03 1jmm s VAL 828 Cb -0.05 -4.05 -0.08 0.00 0.00 0.00 0.00 36.38 32.20 1jmm s VAL 828 CO 0.95 -0.08 1.34 -2.16 0.00 0.00 0.00 175.10 175.14 1jmm s PRO 829 N 2.73 4.36 0.03 2.72 0.04 -1.26 -4.81 135.00 138.81 1jmm s PRO 829 Ca 0.30 2.04 -0.09 0.00 0.04 0.00 0.00 61.00 63.30 1jmm s PRO 829 Cb -0.15 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.11 1jmm s PRO 829 CO 0.09 -0.34 0.34 0.15 0.04 0.00 0.00 177.00 177.28 1jmm s LYS 830 N 0.52 3.69 -0.33 4.56 -0.14 -1.26 -0.83 119.74 125.95 1jmm s LYS 830 Ca 0.60 0.08 -0.16 0.00 -1.36 0.00 0.00 55.97 55.14 1jmm s LYS 830 Cb -0.36 -3.06 -0.02 0.00 -1.68 0.00 0.00 37.83 32.71 1jmm s LYS 830 CO 0.34 0.62 0.39 0.08 -0.76 0.00 0.00 175.35 176.02 1jmm s VAL 831 N -1.31 5.14 -0.05 3.17 1.01 -0.62 -4.91 120.40 122.83 1jmm s VAL 831 Ca 0.29 0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.54 1jmm s VAL 831 Cb -0.14 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 1jmm s VAL 831 CO 0.16 -0.05 0.01 0.41 0.00 0.00 0.00 175.10 175.63 1jmm n THR 832 N 5.24 0.36 -3.63 3.92 -1.04 -1.26 -4.29 114.28 113.58 1jmm n THR 832 Ca -0.08 -0.21 -0.36 0.00 -2.04 0.00 0.00 64.05 61.36 1jmm n THR 832 Cb 0.50 -0.85 -0.08 0.00 -1.82 0.00 0.00 70.33 68.08 1jmm n THR 832 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1jmm s LYS 833 N -2.13 4.20 0.22 -2.82 3.01 -1.26 -4.16 119.74 116.81 1jmm s LYS 833 Ca -0.03 -0.09 -0.15 0.00 -1.01 0.00 0.00 55.97 54.69 1jmm s LYS 833 Cb 0.02 -3.44 -0.08 0.00 -1.01 0.00 0.00 37.83 33.31 1jmm s LYS 833 CO 0.21 0.23 0.63 -1.83 0.51 0.00 0.00 175.35 175.09 1jmm s GLU 834 N 0.54 4.00 -0.32 1.68 -1.05 -1.25 -4.61 118.70 117.70 1jmm s GLU 834 Ca 0.12 0.57 -0.29 0.00 -0.15 0.00 0.00 54.97 55.21 1jmm s GLU 834 Cb -0.12 -2.75 -0.01 0.00 -0.44 0.00 0.00 34.13 30.81 1jmm s GLU 834 CO 0.01 0.35 1.58 0.21 0.95 0.00 0.00 175.26 178.37 1jmm s LYS 835 N -2.38 3.59 0.26 -4.83 2.20 -1.26 -4.84 119.74 112.48 1jmm s LYS 835 Ca 0.45 1.32 -0.30 0.00 -0.36 0.00 0.00 55.97 57.09 1jmm s LYS 835 Cb -0.13 -4.07 -0.10 0.00 -1.51 0.00 0.00 37.83 32.02 1jmm s LYS 835 CO 0.20 -1.54 1.36 -1.25 -0.36 0.00 0.00 175.35 173.75 1jmm s PRO 836 N 5.03 4.33 -0.08 4.03 0.04 -1.26 -5.00 135.00 142.09 1jmm s PRO 836 Ca 0.70 2.20 -0.20 0.00 0.04 0.00 0.00 61.00 63.74 1jmm s PRO 836 Cb -0.20 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 1jmm s PRO 836 CO 0.31 -0.29 0.56 0.95 0.04 0.00 0.00 177.00 178.57 1jmm s THR 837 N -0.36 5.09 -0.07 1.26 -4.23 -1.26 -4.97 115.64 111.10 1jmm s THR 837 Ca 0.55 1.14 -0.33 0.00 -1.18 0.00 0.00 61.69 61.87 1jmm s THR 837 Cb -0.40 -3.90 -0.11 0.00 1.34 0.00 0.00 72.50 69.43 1jmm s THR 837 CO 0.45 0.33 1.91 -0.81 -0.54 0.00 0.00 174.62 175.96 1jmm n PRO 838 N 3.44 2.32 -1.51 3.99 -0.04 -1.26 -4.91 135.00 137.03 1jmm n PRO 838 Ca -0.06 0.85 -0.42 0.00 -0.04 0.00 0.00 63.50 63.83 1jmm n PRO 838 Cb 0.51 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 1jmm n PRO 838 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1jmm n PRO 839 N 6.89 0.82 0.00 0.54 -0.02 -1.26 -5.17 135.00 136.79 1jmm n PRO 839 Ca 0.22 0.29 0.10 0.00 -2.02 0.00 0.00 63.50 62.09 1jmm n PRO 839 Cb 0.32 -1.65 0.08 0.00 -0.02 0.00 0.00 33.50 32.23 1jmm n PRO 839 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03