NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.1204 8.3444 121.7130 55.8235 30.0260 178.0131 4 L 4.2780 8.7049 123.7138 51.7398 41.4919 174.2841 5 T 4.3673 7.9350 117.6996 60.7211 72.3552 174.5782 6 E 4.0123 8.8564 122.8463 60.4336 29.2987 179.8532 7 E 4.0191 8.0762 118.7344 60.7633 29.9693 181.8962 8 Q 3.8797 8.1122 120.3991 58.9320 29.1089 178.2311 9 I 3.9881 8.0872 120.9215 64.6116 37.2211 178.0748 10 A 4.0598 7.9923 121.3704 55.4187 18.2058 179.6010 11 E 3.9659 8.3670 117.0470 59.5490 29.4137 179.6080 12 F 4.9089 8.2833 117.9887 60.5732 38.9288 177.5313 13 K 3.8919 9.0917 119.8457 59.5572 31.7412 178.5381 14 E 3.9976 8.3899 118.6330 59.5268 29.0227 179.2747 15 A 4.1607 8.2807 120.6398 55.0809 18.4621 179.3507 16 F 3.3450 8.7683 119.4886 61.5169 39.2418 177.6239 17 S 4.1528 8.3867 113.7011 61.3050 62.5851 176.1726 18 L 3.9359 7.3489 122.7192 57.9819 41.8358 178.6424 19 F 4.2813 7.2980 115.5671 59.4693 40.6127 176.7743 20 D 4.4689 7.8563 119.8861 52.7232 37.4106 176.6379 21 K 3.8979 7.8143 121.8016 58.8849 32.7807 178.0316 22 D 4.4692 8.0505 115.7532 52.9601 39.9056 177.2893 23 G 3.9015 8.0406 108.2586 46.3108 0.0000 174.0541 24 D 4.4948 8.4398 117.4863 53.5698 39.3422 177.4075 25 G 4.2097 9.6796 110.5432 45.3262 0.0000 172.9906 26 T 5.1844 7.9896 108.5184 60.0026 72.3618 173.2956 27 I 4.6036 8.8728 124.3158 60.0877 39.4917 175.6244 28 T 4.6901 8.5621 117.5196 60.1775 71.3651 175.9500 29 T 3.9540 8.5870 114.3226 65.3572 68.6447 177.2790 30 K 3.9728 7.9819 126.0235 59.6057 31.8222 181.0585 31 E 4.1532 8.1775 120.2194 59.0196 29.3568 179.1592 32 L 4.2111 8.1136 120.4313 58.3140 42.0908 179.1217 33 G 3.7195 8.3399 105.7600 48.1620 0.0000 175.5066 34 T 3.8594 8.0685 118.0155 66.4410 68.6675 176.7546 35 V 3.4936 7.7705 119.8109 66.3754 31.5595 177.9281 36 M 4.1336 8.2920 118.4310 58.5701 31.7393 179.0454 37 R 4.6577 8.6154 120.0671 58.7841 30.0102 179.2635 38 S 4.1489 8.1996 113.3103 60.7411 62.9179 175.4721 39 L 4.4571 7.5160 120.5495 54.1311 41.5345 177.3276 40 G 3.8426 8.0192 106.7628 45.7195 0.0000 173.8370 41 Q 4.3910 7.9626 121.2465 55.1631 30.7315 174.8873 42 N 5.1722 8.0440 117.5170 51.5782 39.0459 171.8916 43 P 4.4623 0.0000 0.0000 62.7119 32.8722 177.4031 44 T 4.4911 8.1992 112.4797 60.9725 71.7723 176.0299 45 E 3.9260 8.7474 120.7728 61.7204 29.6716 180.1418 46 A 4.2731 8.0906 123.7491 55.3558 18.4976 179.9930 47 E 3.9423 8.0620 116.4662 61.4416 29.8507 181.5565 48 L 4.2235 8.1465 120.5197 57.6586 41.6495 179.7746 49 Q 4.0265 8.1562 118.1220 59.0371 28.5934 178.4264 50 D 4.5674 8.0919 119.5790 57.2605 40.5489 178.7372 51 M 4.0184 8.0299 119.5059 58.3428 31.9062 178.7721 52 I 3.6787 7.7919 119.8188 64.5810 37.1059 178.1629 53 N 4.3393 8.3253 116.1548 56.5081 38.4038 176.9481 54 E 4.0620 8.2711 119.2103 58.7467 29.6070 178.6223 55 V 4.3356 7.0193 116.2309 62.8771 33.5061 175.8457 56 D 4.5219 8.3503 118.2328 53.8369 40.2160 175.9964 57 A 4.1567 8.4494 130.0509 53.9789 18.9805 177.8956 58 D 4.5372 8.2737 113.3511 52.8666 39.9802 177.2152 59 G 3.9045 7.7825 106.8881 46.6449 0.0000 174.2018 60 N 4.5160 8.1628 114.9525 52.9038 37.5575 176.0526 61 G 4.0116 9.7849 108.7585 45.3135 0.0000 172.9506 62 T 4.8803 7.7187 107.8685 60.1633 72.8772 173.2364 63 I 4.7543 8.4968 122.8836 59.8997 39.2222 175.8806 64 D 5.3794 9.2934 127.8782 51.3483 41.7279 177.4981 65 F 3.4687 8.4548 119.3573 60.6686 39.1785 174.9654 66 P 3.9318 0.0000 0.0000 65.4622 30.9743 178.4297 67 E 3.9145 8.4627 117.4903 59.1546 29.3051 179.1264 68 F 3.9653 8.1856 120.6510 61.2420 39.5263 176.6182 69 L 3.4822 7.9239 120.3682 58.4866 41.7648 179.0559 70 T 3.7018 7.6654 115.2527 66.9097 68.4255 176.2842 71 M 3.8824 7.4937 119.7691 58.7795 32.2413 178.1973 72 M 3.5538 7.6286 118.7890 57.9245 31.7514 178.6308 73 A 4.0468 7.6955 120.4797 54.7211 18.8000 179.4910 74 R 3.9080 7.6632 117.0859 59.4437 29.9865 178.5727 75 K 3.8568 7.6997 118.1262 59.7291 32.2822 178.0235 76 M 4.1726 7.9027 117.0904 57.2108 33.3886 176.5722 77 K 4.4036 7.5811 119.0047 55.1355 31.5710 176.4997 *81 S 5.2362 7.5434 111.8789 57.5470 65.5034 176.0285 82 E 4.0290 8.2437 122.4964 59.8288 29.2221 178.1039 83 E 3.9896 8.1582 118.7823 59.0332 29.7960 178.5349 84 E 4.0484 8.1557 118.3439 59.5499 29.6449 179.1355 85 I 4.0215 7.8855 119.8075 64.4011 37.1510 178.4765 86 R 4.1054 8.5983 119.9847 59.4926 29.8644 178.2279 87 E 3.9927 8.4918 118.9699 59.0988 29.4980 178.5004 88 A 4.1246 8.4800 121.0764 55.2417 18.5003 179.3044 89 F 3.3157 8.6651 119.2074 61.4933 39.2655 177.6578 90 R 3.9676 7.9822 116.1730 58.9189 29.8300 178.8429 91 V 3.6629 7.7287 117.7396 66.0190 31.5460 177.8840 92 F 4.1273 7.5279 116.2080 59.7938 40.4163 176.7163 93 D 4.6579 7.8779 120.2867 52.9146 37.4558 176.6912 94 K 4.1037 7.7841 119.9634 58.4132 33.7609 178.3049 95 D 4.5234 8.1905 117.8578 52.6671 39.6249 176.5497 96 G 3.9749 7.8047 107.5838 46.8958 0.0000 174.1388 97 N 4.6005 8.5790 114.8601 52.3812 37.6767 176.0660 98 G 3.8931 9.3086 108.4594 45.6889 0.0000 172.4796 99 Y 5.0599 7.9461 116.2312 56.1219 41.7230 175.0891 100 I 4.4139 9.2499 125.9563 60.5382 38.5648 176.1500 101 S 4.7498 9.0236 122.6040 57.2103 64.7926 175.3186 102 A 4.0026 8.7561 121.1932 55.3401 17.8881 179.6805 103 A 3.9552 7.9562 118.6789 55.3543 18.5465 179.5129 104 E 3.9556 8.2502 117.1267 59.5925 29.4579 179.6158 105 L 4.3317 8.2092 119.0145 58.0461 41.7158 179.8522 106 R 3.9730 8.4306 118.3362 59.2137 29.8204 178.4753 107 H 4.0774 8.5341 118.4402 59.3657 29.9247 177.5067 108 V 3.3810 7.7226 119.8401 66.0029 31.3351 177.3940 109 M 4.0293 8.3826 118.6003 59.1106 32.1776 178.3755 110 T 3.9020 7.9948 109.6975 64.8318 68.7243 176.0013 111 N 4.4380 7.6613 117.8793 54.9359 38.7293 176.4393 112 L 4.2660 7.6911 118.9040 54.6100 42.0624 177.6336 113 G 3.8768 7.6167 106.7473 45.4900 0.0000 173.7025 114 E 4.2981 7.8222 118.5398 55.8646 30.1698 177.4639 115 K 4.4592 8.1680 119.9584 55.0732 33.7349 175.3758 116 L 4.9472 7.9886 122.6245 52.4767 44.6033 177.5651 117 T 4.2141 8.6831 112.6494 61.4103 70.8582 175.4696 118 D 4.3619 8.6434 121.5457 57.7735 40.8242 179.0267 119 E 3.9678 8.1549 118.4200 59.5334 29.4298 179.1504 120 E 4.2574 8.1529 119.9091 58.7232 29.5148 179.4475 121 V 3.6027 8.0827 118.5965 66.3027 31.5964 177.8696 122 D 4.4018 8.3390 118.6011 57.2936 40.2358 178.6591 123 E 3.9673 8.3170 119.1444 59.5891 28.9604 179.0761 124 M 4.0963 8.3058 118.9782 58.6088 32.2135 178.9429 125 I 3.7492 7.8330 119.5436 64.5658 37.0996 178.7102 126 R 3.9543 8.1761 117.9344 59.3150 29.9385 178.4486 127 E 4.0304 8.1937 117.9916 58.8671 29.7115 178.0900 128 A 4.3919 7.4967 118.1401 52.8611 20.3776 178.1599 129 D 4.7867 7.4135 117.4273 53.0459 38.6570 175.4615 130 I 3.8323 7.8039 124.0618 63.8014 37.6947 177.0559 131 D 4.5048 8.7650 117.1635 53.2243 39.7244 177.3087 132 G 3.9244 8.1540 108.4456 45.9488 0.0000 174.0162 133 D 4.3964 8.1939 117.4475 53.5238 39.7185 177.5049 134 G 3.9414 9.4405 109.1811 45.4795 0.0000 172.6141 135 Q 4.7388 8.1855 116.2547 54.4648 32.6561 174.4846 136 V 4.6966 8.6610 119.6252 61.3585 33.5090 175.1427 137 N 5.2178 9.1469 126.5150 51.3433 39.5171 175.6516 138 Y 3.0151 8.2432 118.2843 60.4408 38.6080 177.2918 139 E 3.7424 8.0989 118.9774 59.7750 29.6317 179.2843 140 E 3.9555 8.6530 118.3443 59.1457 29.4816 179.2486 141 F 4.0662 8.3746 120.8544 61.3607 39.5465 177.3648 142 V 3.3555 7.7128 118.0502 66.0300 31.0030 177.9629 143 Q 3.9830 7.8273 116.9022 59.0409 28.5605 178.2059 144 M 4.0900 7.6018 118.4320 58.8335 32.3704 177.9396 145 M 4.0352 7.5751 117.8535 58.2822 32.1390 177.1034 146 T 4.2113 8.0927 119.7761 63.7290 68.8902 174.4417 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 Q 8.34 4.12 0.00 2.02 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 4 L 8.70 4.28 0.00 1.75 1.63 1.11 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.93 4.37 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 6 E 8.86 4.01 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 7 E 8.08 4.02 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.93 0.00 8 Q 8.11 3.88 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.05 0.00 9 I 8.09 3.99 2.13 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.61 1.20 0.00 0.00 10 A 7.99 4.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.37 3.97 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 12 F 8.28 4.91 0.00 3.57 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 9.09 3.89 0.00 1.31 1.90 0.00 0.74 0.00 0.00 0.61 0.00 0.00 2.53 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.17 1.35 7.81 14 E 8.39 4.00 0.00 2.43 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 15 A 8.28 4.16 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.77 3.35 0.00 2.95 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.39 4.15 0.00 4.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.35 3.94 0.00 1.65 1.39 0.50 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.30 4.28 0.00 2.92 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.86 4.47 0.00 1.94 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.81 3.90 0.00 1.74 1.83 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.33 7.81 22 D 8.05 4.47 0.00 2.72 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.04 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.44 4.49 0.00 2.84 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 9.68 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.99 5.18 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 27 I 8.87 4.60 1.81 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.31 0.82 0.00 0.00 28 T 8.56 4.69 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 29 T 8.59 3.95 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 30 K 7.98 3.97 0.00 1.78 1.86 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.10 7.81 31 E 8.18 4.15 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 32 L 8.11 4.21 0.00 1.84 1.84 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.34 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.07 3.86 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 35 V 7.77 3.49 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.87 0.00 0.00 36 M 8.29 4.13 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.70 0.00 37 R 8.62 4.66 0.00 1.93 1.97 0.00 3.14 0.00 0.00 3.32 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.63 0.00 38 S 8.20 4.15 0.00 3.95 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.52 4.46 0.00 1.64 1.65 0.86 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.02 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.96 4.39 0.00 2.27 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 42 N 8.04 5.17 0.00 2.66 2.65 0.00 0.00 7.01 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.46 0.00 2.22 2.05 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 44 T 8.20 4.49 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 45 E 8.75 3.93 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 1.99 0.00 46 A 8.09 4.27 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.06 3.94 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 48 L 8.15 4.22 0.00 1.84 1.75 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.16 4.03 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 50 D 8.09 4.57 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 M 8.03 4.02 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 52 I 7.79 3.68 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.92 0.94 0.00 0.00 53 N 8.33 4.34 0.00 2.80 2.88 0.00 0.00 7.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.27 4.06 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 55 V 7.02 4.34 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.89 0.00 0.00 56 D 8.35 4.52 0.00 2.80 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.45 4.16 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.27 4.54 0.00 2.83 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.78 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.16 4.52 0.00 2.85 2.95 0.00 0.00 7.12 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 9.78 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.72 4.88 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 63 I 8.50 4.75 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.62 1.17 0.00 0.00 64 D 9.29 5.38 0.00 2.83 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.45 3.47 0.00 1.94 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 3.93 0.00 2.15 2.03 0.00 3.88 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 67 E 8.46 3.91 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 68 F 8.19 3.97 0.00 3.43 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.92 3.48 0.00 0.77 1.38 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.67 3.70 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 71 M 7.49 3.88 0.00 1.79 1.87 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 72 M 7.63 3.55 0.00 0.51 0.97 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.52 0.00 73 A 7.70 4.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.66 3.91 0.00 1.93 2.03 0.00 3.03 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 75 K 7.70 3.86 0.00 1.87 1.76 0.00 1.87 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.55 7.81 76 M 7.90 4.17 0.00 2.29 2.46 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.69 0.00 77 K 7.58 4.40 0.00 1.85 1.74 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.54 7.81 *81 S 7.54 5.24 0.00 4.07 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.24 4.03 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 83 E 8.16 3.99 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 84 E 8.16 4.05 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 85 I 7.89 4.02 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.01 1.16 0.00 0.00 86 R 8.60 4.11 0.00 2.13 2.14 0.00 3.00 0.00 0.00 2.91 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.08 0.00 87 E 8.49 3.99 0.00 2.32 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 88 A 8.48 4.12 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.67 3.32 0.00 3.05 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.98 3.97 0.00 2.00 1.98 0.00 3.23 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.01 0.00 91 V 7.73 3.66 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.97 0.00 0.00 92 F 7.53 4.13 0.00 2.76 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 7.88 4.66 0.00 1.82 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.78 4.10 0.00 1.85 1.86 0.00 1.48 0.00 0.00 1.56 0.00 0.00 2.63 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.49 1.36 7.81 95 D 8.19 4.52 0.00 2.83 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.80 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.58 4.60 0.00 3.00 3.00 0.00 0.00 6.93 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 9.31 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.95 5.06 0.00 2.93 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 9.25 4.41 1.82 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.40 0.85 0.00 0.00 101 S 9.02 4.75 0.00 3.94 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.76 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.96 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.25 3.96 0.00 2.31 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 105 L 8.21 4.33 0.00 1.99 1.82 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.43 3.97 0.00 2.07 2.00 0.00 3.15 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 107 H 8.53 4.08 0.00 3.27 3.48 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.72 3.38 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.46 0.00 0.00 109 M 8.38 4.03 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 110 T 7.99 3.90 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 111 N 7.66 4.44 0.00 2.58 2.80 0.00 0.00 7.05 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.69 4.27 0.00 1.75 1.67 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.62 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.82 4.30 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 115 K 8.17 4.46 0.00 1.94 1.70 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 1.02 7.81 116 L 7.99 4.95 0.00 1.62 1.56 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.68 4.21 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 118 D 8.64 4.36 0.00 2.75 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.15 3.97 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 120 E 8.15 4.26 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.18 0.00 121 V 8.08 3.60 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.00 0.00 0.00 122 D 8.34 4.40 0.00 2.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.32 3.97 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 124 M 8.31 4.10 0.00 2.05 2.33 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.61 0.00 125 I 7.83 3.75 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.26 0.97 0.00 0.00 126 R 8.18 3.95 0.00 1.81 2.00 0.00 3.17 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 127 E 8.19 4.03 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 128 A 7.50 4.39 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 D 7.41 4.79 0.00 2.92 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.80 3.83 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.85 0.92 0.00 0.00 131 D 8.77 4.50 0.00 2.77 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 G 8.15 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.19 4.40 0.00 2.71 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 9.44 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.19 4.74 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.63 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 136 V 8.66 4.70 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.98 0.00 0.00 137 N 9.15 5.22 0.00 2.75 3.14 0.00 0.00 6.47 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 8.24 3.02 0.00 2.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.10 3.74 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 140 E 8.65 3.96 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 141 F 8.37 4.07 0.00 3.26 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.71 3.36 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.26 0.00 0.00 143 Q 7.83 3.98 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 144 M 7.60 4.09 0.00 1.82 2.11 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 145 M 7.58 4.04 0.00 1.86 1.94 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.03 0.00 146 T 8.09 4.21 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.