NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 Y 4.5723 8.0027 119.1529 56.9113 39.4614 177.0047 10 R 3.8700 7.8793 120.6892 58.5568 29.9203 176.8030 11 I 3.3141 7.8760 119.5720 64.2782 37.4889 177.4365 12 Q 4.0355 8.0618 119.8064 59.1066 28.8896 178.3109 13 K 4.0470 7.9682 119.0809 59.6880 31.7349 179.1537 14 E 4.2204 8.6635 119.0983 59.2677 29.2860 179.1879 15 L 3.8894 8.6955 120.7853 58.4286 42.1442 178.2323 16 H 4.1224 8.4127 118.2054 59.5468 29.7378 176.4923 17 N 4.2125 8.4400 118.5558 56.6571 38.3493 176.5979 18 F 3.9288 8.9194 122.3754 61.3387 39.3221 177.1889 19 L 4.1319 8.1190 117.8028 57.7640 41.4705 178.6648 20 N 4.5440 8.2849 116.5367 55.0882 40.3050 174.6654 21 N 4.8997 8.2125 117.7123 50.8694 38.8151 171.6316 22 P 3.8373 0.0000 0.0000 60.4009 33.1537 175.6744 23 P 4.2100 0.0000 0.0000 62.1542 31.9150 175.7406 24 I 3.7920 8.2207 120.5113 63.0679 38.2631 175.2281 25 N 4.3871 9.1237 122.5523 54.3242 36.0757 172.7996 26 C 6.3000 8.2164 114.3396 57.5356 31.0920 173.6163 27 T 4.8794 8.4765 110.8143 59.9816 72.2914 172.0081 28 L 4.7595 8.5594 124.5455 53.4971 44.0874 174.7190 29 D 4.9908 9.0897 124.4026 52.4923 45.0732 174.5232 30 V 4.8289 7.9485 114.0487 59.2960 35.5703 175.0250 31 H 4.3528 9.0653 124.0754 55.4949 30.0822 174.8044 32 P 4.2934 0.0000 0.0000 65.1521 31.3586 176.7283 33 N 4.9220 8.3425 114.0378 52.3774 39.1937 173.9830 34 N 4.6515 8.1388 119.0857 52.5845 40.3227 175.1553 35 I 3.8995 8.4196 120.3794 63.2293 38.1006 176.7973 36 R 4.5410 8.3979 119.7633 56.1554 31.3274 175.6171 37 I 5.0796 7.9020 121.3710 59.3146 40.5027 174.6578 38 W 5.4135 9.1331 126.1937 54.9520 33.1684 174.7287 39 I 4.8292 8.7629 122.6345 59.7088 40.2055 174.5352 40 V 4.6205 8.9124 128.2396 61.2240 33.4850 174.2857 41 K 4.9059 9.0121 129.9984 55.3784 33.8254 174.1940 42 Y 5.3733 9.4655 129.2848 55.9183 41.4332 174.1467 43 V 4.2759 8.2540 127.2987 60.7532 32.9383 175.6082 44 G 3.6584 8.5284 115.8116 46.7506 0.0000 172.4027 45 L 4.5904 9.0763 127.8751 55.1363 42.8666 177.6244 46 E 3.9165 8.8690 121.4481 58.3187 30.1481 175.8950 47 N 4.6084 9.0861 118.0321 52.2332 35.2537 172.8100 48 T 4.8631 7.3793 107.9413 60.2962 71.8598 174.7046 49 I 3.7548 8.1767 114.5557 62.9450 37.9293 176.1602 50 Y 4.8083 7.7360 116.5689 56.6259 38.0667 174.8060 51 A 4.3776 7.3908 121.9484 53.3981 18.4621 178.6719 52 N 4.3474 9.0249 119.4233 53.5499 37.8982 174.5526 53 E 4.1526 8.0391 118.9510 55.9125 31.0117 175.7253 54 V 4.1856 7.8010 123.3300 61.7526 33.0083 174.5452 55 Y 5.0226 9.0703 125.0061 56.1307 42.2100 174.4694 56 K 5.1733 8.9968 120.9858 54.5889 35.9278 174.5223 57 L 4.6018 9.1831 127.3182 53.0390 44.3512 174.7687 58 K 4.6171 8.6180 128.4320 55.1908 34.0706 175.1009 59 I 4.6271 8.4746 127.7083 59.4733 40.3553 174.3266 60 I 4.5675 8.6249 128.6450 59.3154 39.7454 174.8505 61 F 4.5151 8.7910 127.6128 55.4023 39.3998 174.4956 62 P 4.5161 0.0000 0.0000 61.9179 32.1584 176.7521 63 D 4.3279 8.6722 118.3765 57.3559 41.2747 176.6898 64 D 4.7368 8.0265 116.6414 54.0168 41.2058 175.3475 65 Y 4.7969 8.1458 121.1711 56.9370 39.0778 174.2854 66 P 3.5019 0.0000 0.0000 62.5817 32.1854 176.7688 67 L 4.1450 7.8684 119.4117 57.2652 41.9211 177.3970 68 K 4.5000 7.9865 118.2459 53.8970 33.4565 174.6474 69 P 3.6214 0.0000 0.0000 61.3179 31.9059 174.2875 70 P 4.2754 0.0000 0.0000 62.8469 32.3558 175.4688 71 I 4.1658 8.3901 122.7773 60.5309 38.6731 175.1517 72 V 4.7710 8.1849 126.1399 61.2654 34.2434 173.8182 73 Y 4.9869 8.1308 124.5079 55.6116 41.9495 173.9425 74 F 4.8331 9.2550 120.1547 57.2650 40.3283 175.7478 75 L 4.7461 9.2224 123.9735 54.2829 42.6656 176.8855 76 Q 4.2766 8.6047 119.6520 55.8080 29.3786 176.3342 77 K 4.4215 8.4690 121.9532 54.9079 33.2329 175.2316 78 P 4.5944 0.0000 0.0000 61.1008 32.3752 174.2622 79 P 3.6921 0.0000 0.0000 62.4985 31.3478 176.1876 80 K 4.2700 8.5346 120.5256 56.1698 32.4515 175.8983 81 H 4.8148 8.3895 122.1904 54.8988 32.7964 174.1100 82 T 3.8005 8.3922 122.4717 66.9058 68.5345 174.6730 83 H 4.8733 8.3544 115.8417 55.1960 29.0007 173.9191 84 V 4.8381 7.6398 119.8314 61.1003 33.4115 175.2369 *85 Y 4.3128 8.6859 125.5652 57.1388 38.2467 176.6984 86 S 4.2587 8.7649 116.8590 61.6608 62.7209 175.1486 87 N 4.5664 8.1481 115.2525 52.6456 37.4200 175.9031 88 G 4.4612 8.6736 108.3904 46.6539 0.0000 173.5724 89 D 4.9034 8.3352 119.9758 54.7829 42.1445 175.4745 90 I 4.9235 8.2537 121.0668 59.7845 40.3551 174.9675 91 C 4.4826 9.1678 128.1794 58.1988 31.8660 172.9135 92 L 4.4273 8.1124 128.5132 52.6632 44.4549 176.1805 93 S 4.1526 9.0357 123.1706 62.0095 62.6807 176.6558 94 L 4.0749 8.0322 120.6987 57.2448 41.1437 178.4506 95 L 4.6127 7.8994 116.8901 53.3377 42.4719 176.3905 96 G 4.2620 8.0071 106.3733 45.1037 0.0000 174.4019 97 D 4.3677 9.4319 122.9296 57.0872 40.7391 177.1162 98 D 4.8486 8.2311 116.1176 53.8993 40.7883 175.8345 99 Y 4.6230 8.1489 121.7576 57.1681 39.4749 174.4532 100 N 4.8546 7.6708 124.3273 50.7006 41.4499 173.0578 101 P 4.1808 0.0000 0.0000 63.9955 31.5117 177.0831 102 S 4.2795 8.1520 114.9190 59.1812 63.2638 174.3148 103 L 3.8883 7.4744 122.9525 55.6527 42.3319 177.4016 104 S 5.0600 8.4430 121.8646 57.3833 65.5244 175.3938 105 I 3.8662 9.5625 125.3390 64.5676 36.8516 178.5157 106 S 4.1702 8.7210 113.8693 61.7604 61.9756 176.5905 107 G 3.5814 8.4600 108.2653 47.4510 0.0000 175.3927 108 L 3.9698 8.1428 122.6527 58.1037 42.1111 179.2870 109 V 3.5630 8.0563 118.2409 65.9330 31.4935 177.6665 110 L 3.8766 8.2184 120.3311 58.3135 41.8128 179.1450 111 S 4.2623 8.3894 115.3329 61.5290 62.6022 176.8257 112 I 3.7039 7.5853 122.4264 64.3669 36.7880 178.5345 113 I 3.3872 7.8239 120.8582 64.0750 36.6191 178.2389 114 S 4.0622 8.2021 113.4147 61.6740 62.2813 175.4252 115 M 4.1710 7.9848 119.4807 58.8586 31.9929 177.8253 116 L 4.0702 7.8075 117.5765 57.8826 41.9038 177.9689 117 S 4.6175 8.3513 118.5066 58.8490 63.0297 173.9906 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 *9 Y 8.00 4.57 0.00 2.26 2.37 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 10 R 7.88 3.87 0.00 1.98 1.98 0.00 3.26 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 2.04 0.00 11 I 7.88 3.31 1.65 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.22 0.60 0.00 0.00 12 Q 8.06 4.04 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 13 K 7.97 4.05 0.00 2.09 1.92 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.69 7.81 14 E 8.66 4.22 0.00 2.33 2.40 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 2.72 2.74 0.00 15 L 8.70 3.89 0.00 2.08 1.99 0.43 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.41 4.12 0.00 3.32 3.56 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.44 4.21 0.00 2.89 3.11 0.00 0.00 6.93 7.27 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 18 F 8.92 3.93 0.00 3.48 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 19 L 8.12 4.13 0.00 1.65 1.72 0.87 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.28 4.54 0.00 2.75 2.73 0.00 0.00 6.93 8.58 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 21 N 8.21 4.90 0.00 2.54 2.74 0.00 0.00 7.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 3.84 0.00 2.10 2.01 0.00 3.36 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 23 P 0.00 4.21 0.00 2.15 1.93 0.00 2.85 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 24 I 8.22 3.79 1.89 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 1.47 0.71 0.96 0.00 0.00 25 N 9.12 4.39 0.00 3.31 3.10 0.00 0.00 6.94 7.66 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 26 C 8.22 6.30 0.00 3.11 3.06 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 0.00 0.00 0.00 27 T 8.48 4.88 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 1.25 0.00 0.00 28 L 8.56 4.76 0.00 1.39 1.41 0.09 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 29 D 9.09 4.99 0.00 2.69 2.38 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 0.00 30 V 7.95 4.83 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.88 0.00 0.00 31 H 9.07 4.35 0.00 3.28 3.42 0.00 5.59 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.29 0.00 2.21 2.14 0.00 3.33 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.90 0.00 33 N 8.34 4.92 0.00 2.81 2.86 0.00 0.00 6.62 8.00 0.00 0.00 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 N 8.14 4.65 0.00 2.48 2.56 0.00 0.00 6.98 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.42 3.90 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.70 0.94 0.00 0.00 36 R 8.40 4.54 0.00 1.98 2.22 0.00 3.07 0.00 0.00 3.40 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 37 I 7.90 5.08 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.78 0.94 0.00 0.00 38 W 9.13 5.41 0.00 3.08 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 39 I 8.76 4.83 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.93 0.89 0.00 0.00 40 V 8.91 4.62 2.09 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 1.15 0.00 0.00 0.81 0.00 0.00 41 K 9.01 4.91 0.00 1.90 1.71 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.41 7.81 42 Y 9.47 5.37 0.00 3.11 3.02 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 0.00 0.00 0.00 0.00 43 V 8.25 4.28 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 0.69 0.00 0.00 0.88 0.00 0.00 44 G 8.53 3.66 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 0.00 0.00 0.00 45 L 9.08 4.59 0.00 1.82 1.71 1.11 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.87 3.92 0.00 1.98 1.75 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 2.23 1.89 0.00 47 N 9.09 4.61 0.00 2.93 2.89 0.00 0.00 6.52 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 48 T 7.38 4.86 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 49 I 8.18 3.75 1.56 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.36 0.79 0.00 0.00 50 Y 7.74 4.81 0.00 3.30 3.27 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 51 A 7.39 4.38 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.02 4.35 0.00 2.83 2.97 0.00 0.00 7.12 7.25 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 53 E 8.04 4.15 0.00 2.18 1.59 0.00 0.00 0.00 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 2.60 0.00 54 V 7.80 4.19 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 0.73 0.00 0.00 0.83 0.00 0.00 55 Y 9.07 5.02 0.00 3.21 3.04 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 56 K 9.00 5.17 0.00 1.75 1.71 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.45 7.81 57 L 9.18 4.60 0.00 1.50 1.33 -0.54 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.62 4.62 0.00 1.43 0.74 0.00 1.56 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.07 1.37 7.81 59 I 8.47 4.63 1.60 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.35 -0.04 0.00 0.00 60 I 8.62 4.57 1.75 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.55 0.85 0.00 0.00 61 F 8.79 4.52 0.00 2.61 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.52 0.00 2.24 2.16 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.10 0.00 63 D 8.67 4.33 0.00 2.65 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.03 4.74 0.00 2.85 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.15 4.80 0.00 3.03 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 3.50 0.00 1.98 1.08 0.00 3.67 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 67 L 7.87 4.14 0.00 1.80 1.80 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.99 4.50 0.00 1.90 1.69 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.39 7.81 69 P 0.00 3.62 0.00 1.63 0.49 0.00 3.60 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 70 P 0.00 4.28 0.00 1.49 1.20 0.00 3.52 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 71 I 8.39 4.17 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.73 0.98 0.00 0.00 72 V 8.18 4.77 1.94 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 0.57 0.00 0.00 0.70 0.00 0.00 73 Y 8.13 4.99 0.00 3.17 2.95 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 0.00 0.00 0.00 74 F 9.26 4.83 0.00 3.06 3.06 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 0.00 0.00 0.00 75 L 9.22 4.75 0.00 1.58 1.69 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.60 4.28 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 77 K 8.47 4.42 0.00 1.85 1.83 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.41 7.81 78 P 0.00 4.59 0.00 2.07 2.16 0.00 3.83 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 79 P 0.00 3.69 0.00 1.11 0.49 0.00 2.55 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.44 0.00 80 K 8.53 4.27 0.00 1.86 1.85 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.47 7.81 81 H 8.39 4.81 0.00 3.06 3.00 0.00 5.69 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.39 3.80 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 83 H 8.35 4.87 0.00 3.30 3.49 0.00 5.56 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.64 4.84 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 0.83 0.00 0.00 0.84 0.00 0.00 *85 Y 8.69 4.31 0.00 2.67 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 0.00 0.00 0.00 0.00 86 S 8.76 4.26 0.00 3.99 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 87 N 8.15 4.57 0.00 2.80 2.94 0.00 0.00 6.14 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.67 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.34 4.90 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.25 4.92 1.90 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.95 0.96 0.00 0.00 91 C 9.17 4.48 0.00 2.99 2.96 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 0.00 0.00 0.00 92 L 8.11 4.43 0.00 1.70 1.45 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 93 S 9.04 4.15 0.00 3.91 4.05 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 0.00 0.00 0.00 94 L 8.03 4.07 0.00 1.72 1.79 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.90 4.61 0.00 1.81 1.66 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.01 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.43 4.37 0.00 2.67 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 98 D 8.23 4.85 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.62 0.00 3.11 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.67 4.85 0.00 2.55 2.37 0.00 0.00 6.96 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 0.00 101 P 0.00 4.18 0.00 2.09 2.21 0.00 3.22 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.87 0.00 102 S 8.15 4.28 0.00 3.92 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 0.00 103 L 7.47 3.89 0.00 1.54 1.67 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.44 5.06 0.00 4.31 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 0.00 105 I 9.56 3.87 2.37 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.81 1.13 0.00 0.00 106 S 8.72 4.17 0.00 3.82 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 0.00 107 G 8.46 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.14 3.97 0.00 1.87 1.95 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.06 3.56 2.37 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 1.08 0.00 0.00 1.15 0.00 0.00 110 L 8.22 3.88 0.00 1.88 1.76 0.89 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.39 4.26 0.00 4.05 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 0.00 112 I 7.59 3.70 1.93 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.75 0.94 0.00 0.00 113 I 7.82 3.39 1.84 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.50 0.73 0.00 0.00 114 S 8.20 4.06 0.00 3.87 4.08 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 0.00 0.00 0.00 0.00 115 M 7.98 4.17 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 116 L 7.81 4.07 0.00 1.75 1.58 0.64 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.35 4.62 0.00 3.92 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.