NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2585 8.3444 119.1313 54.6166 29.8348 174.3628 3 C 2.4500 8.2246 123.6074 56.3856 32.0763 171.4122 4 P 4.3007 0.0000 0.0000 62.7210 33.8420 176.8980 5 I 3.6262 8.2255 121.2801 64.6391 37.0660 178.6353 6 E 3.9596 8.0912 118.9170 59.5529 29.2807 179.0049 7 D 4.5085 8.0136 118.4463 57.0071 41.0908 178.4494 8 R 3.6472 7.9384 119.3454 59.5521 29.9824 178.6549 9 L 3.8337 7.9996 118.4450 57.5866 41.5691 179.3553 10 A 3.9731 7.9837 120.8497 55.1814 18.0760 179.8053 11 I 3.5705 7.4545 117.6621 64.2193 37.1924 178.2136 12 Q 3.6080 7.5484 118.0374 58.9871 28.6821 178.3112 13 D 4.4565 8.0616 119.9341 57.1669 40.6853 179.1826 14 L 4.1346 7.6702 117.0030 56.1525 41.7755 178.4463 *16 I 4.0665 7.7874 120.0487 60.8528 39.3983 177.8826 17 A 4.0069 8.2956 122.4955 55.0923 18.0377 178.9798 18 Y 4.0521 8.3927 118.0853 60.8738 38.9051 178.2058 19 A 3.8845 8.1272 121.1333 55.4319 18.3259 178.7077 20 H 3.9318 8.3675 115.7189 59.4078 30.0814 176.9916 21 A 4.0824 7.9687 122.3822 55.1756 18.2345 179.7741 22 V 3.7398 7.6718 116.8859 66.2289 31.4181 177.4490 23 D 4.7141 7.9642 116.3288 55.8814 40.8307 178.1802 24 T 3.8097 7.5915 111.0527 62.3841 68.4274 175.2766 25 V 3.0422 7.2575 119.1969 62.8278 30.5973 172.0111 26 S 4.2518 6.1106 111.6292 57.4952 69.6505 174.8840 27 D 4.6121 7.8875 122.2293 52.9716 39.2358 176.3746 28 I 3.8997 8.0714 126.0364 63.8836 37.5285 177.1893 29 D 4.3702 8.1984 119.2129 57.3683 40.4659 178.5533 30 A 4.0474 7.9920 120.0395 54.8992 18.6633 179.5947 31 V 3.7385 7.6567 116.3229 66.3564 31.6499 178.4027 32 L 4.1263 8.2806 118.9384 57.6982 41.1803 178.8844 33 D 4.5021 8.0579 117.1139 56.8592 41.3749 178.0900 34 V 3.6240 7.8746 118.3760 64.0296 31.5355 175.2917 35 F 5.2611 7.3869 116.5998 55.2666 41.1143 175.5645 36 T 4.2311 8.6408 114.5050 61.2337 69.6360 175.1990 37 E 3.7605 8.8092 123.0108 58.5736 29.7915 177.6310 38 D 4.7236 7.8807 115.8367 52.6998 39.9648 175.9135 39 A 4.3634 7.8889 122.2210 52.7755 19.9088 177.6877 40 V 4.0099 8.6626 122.1253 62.3988 32.9304 174.8124 41 F 4.8673 9.3066 132.1848 56.0282 39.8939 171.7614 42 D 4.6676 8.6214 123.0906 51.5022 42.7634 175.0061 43 L 4.0011 7.5155 125.6199 54.0309 42.3323 179.2605 44 S 4.4982 7.7113 116.6454 60.5180 62.8896 176.6147 45 G 3.6228 7.9368 109.0980 47.2981 0.0000 173.9978 46 I 4.0501 7.7711 111.5822 60.4632 37.7232 176.0768 47 G 3.9392 8.3146 107.9306 45.8993 0.0000 173.6689 48 L 4.6868 7.6784 119.4614 52.7512 43.8083 175.8587 49 T 4.2358 8.2715 117.5600 62.6095 68.9713 173.3926 50 P 4.6619 0.0000 0.0000 63.0217 32.5043 175.5005 51 Q 4.7172 9.2406 119.2036 54.2254 33.4628 174.3403 52 V 4.6417 8.4615 120.6136 62.4377 34.2148 176.3309 53 G 4.4806 9.2928 113.0722 43.7046 0.0000 173.8539 54 H 4.0961 8.8619 115.9632 58.7055 28.6108 177.9398 55 A 4.1118 8.1143 122.1830 55.1718 18.2514 179.7931 56 G 3.5124 7.9691 103.6625 48.0407 0.0000 175.9196 57 I 3.3256 7.6234 122.4329 63.7157 37.0023 178.4498 58 R 3.9206 8.3404 120.1128 59.3192 29.8953 178.1013 59 E 3.8617 8.1506 119.0517 59.2679 29.7414 178.3555 60 F 3.8456 8.1440 120.5625 61.5541 39.3775 177.0948 61 F 3.6927 8.1653 116.8301 59.9961 38.7782 177.9117 62 T 3.9275 8.2835 116.2295 66.6608 68.2949 175.9649 63 N 4.1761 7.7836 118.1832 56.5805 38.8223 176.9982 64 V 3.5678 6.8548 117.8369 66.2711 31.7073 177.8768 65 F 4.7304 8.3053 115.9013 60.4097 38.7286 177.2792 66 A 4.2371 7.8007 119.6477 54.3378 18.3873 177.4445 67 N 4.7164 7.9275 114.3348 53.8231 39.4050 177.1754 *69 S 4.3395 8.2277 113.9701 58.1736 64.3990 173.3636 70 H 5.1361 8.2292 114.8837 54.4634 33.1200 172.3410 71 H 5.5169 8.8536 116.8538 54.3855 32.8192 173.0805 72 A 4.5375 8.4416 123.5469 51.3724 21.6466 174.7827 73 H 4.8907 8.9740 121.1799 54.0253 30.4374 172.4197 74 Y 4.2876 9.0111 121.6468 57.4349 39.0962 174.5809 75 L 5.1461 8.5583 123.7934 53.1781 44.8685 175.6774 76 T 4.2747 8.1042 112.1723 60.0098 73.1036 172.7604 77 N 4.0957 8.4156 115.3984 53.9963 35.8992 175.1006 78 F 4.5561 7.9513 115.0236 57.8331 39.9263 175.7416 79 A 4.6588 8.8208 124.5662 50.1384 22.1179 175.9290 80 V 3.9644 8.6268 123.6027 63.3231 31.7284 175.6913 81 T 4.5810 8.7319 117.9118 61.7272 70.2690 174.5468 82 G 4.2772 7.8716 107.3851 45.9192 0.0000 172.1027 83 Y 5.2350 8.5200 123.5373 56.4280 41.5159 174.0137 84 E 4.3995 9.1920 125.3816 55.9161 30.3053 176.6098 85 G 4.0581 6.2137 114.9129 44.3044 0.0000 174.1045 86 D 4.7883 7.7341 116.9408 53.4470 42.6441 175.4566 87 T 5.5789 7.5836 108.2875 60.4716 72.8092 172.3966 88 A 5.0717 8.8841 122.8989 51.5239 23.5461 174.9200 89 S 5.6062 8.9467 114.7362 55.6644 67.9328 173.1876 *91 R 4.5548 8.3311 119.0777 56.6824 31.2275 173.9371 92 A 4.7389 8.4510 124.9205 50.3991 23.2719 174.8115 93 Y 4.8678 8.7017 117.8898 57.3157 40.0164 175.2063 94 V 4.7617 8.6520 122.1033 59.9618 35.0436 174.6773 95 I 4.4697 8.7627 124.6284 60.0871 38.5538 174.8455 96 G 4.3012 9.1810 115.5248 44.1468 0.0000 171.7866 *98 G 4.4386 8.3871 108.0134 45.8480 0.0000 171.9199 99 V 5.0642 8.5938 120.2855 59.4425 34.5429 175.7403 100 G 4.0798 9.2099 112.6055 45.6070 0.0000 174.7215 101 K 4.0357 8.8613 120.9264 59.1587 32.1125 178.1220 102 D 4.5063 8.0863 115.7266 53.3183 39.5687 177.2117 103 G 3.9469 8.2012 108.2648 45.6747 0.0000 173.8390 104 R 4.3577 8.2555 119.8017 55.6089 31.3576 175.8776 105 A 5.1649 8.6102 125.2606 51.2002 21.0246 176.2852 106 V 4.7902 8.5034 118.7065 60.5037 35.1545 174.8882 107 T 4.9016 9.0644 119.3670 61.9811 72.5235 172.7651 108 V 4.6756 9.0391 127.1626 61.4816 33.6939 174.2099 109 N 5.2025 8.9653 126.1785 52.5689 39.8838 173.4299 110 G 4.0414 8.3509 113.5918 45.6000 0.0000 170.2161 111 R 5.1026 8.4199 119.1278 54.6023 33.8694 174.8472 112 Y 5.0246 8.7107 120.5388 56.9195 40.4192 174.7710 113 F 5.2078 9.5560 122.2293 56.0429 42.0479 173.9487 114 F 5.4557 9.1497 122.9131 55.8701 41.5012 174.6765 115 E 5.1648 9.3428 122.9404 54.8240 32.1520 175.5593 116 V 5.1878 9.0779 116.4149 59.6944 36.5036 174.4409 117 R 5.2474 9.2391 122.9255 54.4592 33.5707 174.4114 118 R 3.5278 8.4241 126.9400 55.8686 30.4290 175.6708 119 T 4.5692 8.2064 118.3428 59.7112 71.7409 175.3295 120 E 3.8860 8.7164 117.3809 58.4787 29.5803 177.5683 121 K 4.4122 7.8898 115.0103 56.3839 32.4931 176.5588 122 G 3.8547 8.0018 106.7107 43.9240 0.0000 173.3748 123 W 4.7585 8.3902 118.3461 56.9842 29.5751 176.0588 124 K 4.9676 9.1772 121.1859 54.4417 36.5021 175.2270 125 A 4.8142 9.0251 125.6646 52.1560 19.1668 178.2868 126 T 4.3035 9.0049 112.6976 61.7801 71.1574 174.6078 127 R 5.1653 7.6385 121.3585 55.2807 33.9757 173.0000 128 Y 5.3430 8.8799 126.3116 56.5757 42.3207 173.9281 129 T 5.5708 8.9034 116.7955 59.0541 73.0220 171.9816 *131 D 4.6390 8.3951 119.7807 53.7978 40.5132 173.6727 132 F 5.0039 8.3958 116.8185 56.4118 40.4475 176.0905 133 L 4.4188 8.6182 122.9559 54.5066 41.9067 174.9373 *135 P 3.7784 0.0000 0.0000 61.4254 32.3800 176.0872 136 L 3.8110 7.6558 123.3250 55.8488 42.4278 176.2796 137 S 4.6030 8.7838 121.6648 58.2073 64.6156 174.1231 138 G 4.2312 8.9867 112.3723 46.1516 0.0000 171.9063 139 T 4.6744 8.1625 114.3574 60.5431 70.6021 174.2484 140 L 4.7162 8.3140 125.1691 54.6688 42.2628 178.1778 141 D 4.3526 8.1851 122.1009 57.5162 40.7737 178.0692 142 N 4.5175 8.1839 113.6469 54.4176 38.7587 175.1292 143 A 4.3122 7.9654 120.2249 51.6030 20.0823 176.9643 144 K 4.1442 7.5406 120.8974 56.2967 32.2965 176.2200 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 2 Q 8.34 4.26 0.00 2.09 1.97 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 2.18 1.93 0.00 3 C 8.22 2.45 0.00 2.45 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.30 0.00 2.30 1.95 0.00 3.38 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.16 0.00 5 I 8.23 3.63 1.83 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 1.58 0.52 0.86 0.00 0.00 6 E 8.09 3.96 0.00 2.15 2.02 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 2.40 1.97 0.00 7 D 8.01 4.51 0.00 2.83 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 8 R 7.94 3.65 0.00 1.72 1.99 0.00 3.00 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 9 L 8.00 3.83 0.00 1.66 1.61 0.87 0.61 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 10 A 7.98 3.97 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.45 3.57 1.52 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 -0.30 0.73 0.00 0.00 12 Q 7.55 3.61 0.00 1.77 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 1.26 2.12 0.00 13 D 8.06 4.46 0.00 2.79 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 14 L 7.67 4.13 0.00 1.93 1.84 1.06 1.06 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 *16 I 7.79 4.07 1.94 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.71 0.91 0.00 0.00 17 A 8.30 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.39 4.05 0.00 3.13 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 19 A 8.13 3.88 1.41 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 0.00 0.00 0.00 20 H 8.37 3.93 0.00 3.22 3.49 0.00 5.76 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.97 4.08 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 22 V 7.67 3.74 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 1.09 0.00 0.00 0.47 0.00 0.00 23 D 7.96 4.71 0.00 2.67 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 24 T 7.59 3.81 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 1.16 0.00 0.00 25 V 7.26 3.04 1.88 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 0.69 0.00 0.00 0.89 0.00 0.00 26 S 6.11 4.25 0.00 3.83 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 27 D 7.89 4.61 0.00 2.64 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.07 3.90 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.02 0.96 0.00 0.00 29 D 8.20 4.37 0.00 2.86 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 30 A 7.99 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.66 3.74 2.03 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 0.86 0.00 0.00 0.57 0.00 0.00 32 L 8.28 4.13 0.00 1.86 1.56 0.93 1.00 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 33 D 8.06 4.50 0.00 2.85 2.87 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 34 V 7.87 3.62 1.88 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 0.19 0.00 0.00 1.07 0.00 0.00 35 F 7.39 5.26 0.00 3.28 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.64 4.23 4.35 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 1.27 0.00 0.00 37 E 8.81 3.76 0.00 2.00 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 2.32 2.30 0.00 38 D 7.88 4.72 0.00 2.81 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 39 A 7.89 4.36 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.66 4.01 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 0.83 0.00 0.00 0.92 0.00 0.00 41 F 9.31 4.87 0.00 2.71 2.74 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 0.00 0.00 0.00 0.00 42 D 8.62 4.67 0.00 2.65 2.31 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 43 L 7.52 4.00 0.00 1.44 1.34 0.53 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.71 4.50 0.00 3.96 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 45 G 7.94 3.62 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 0.00 0.00 0.00 46 I 7.77 4.05 1.49 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 0.74 -0.02 0.00 0.00 47 G 8.31 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 48 L 7.68 4.69 0.00 1.74 1.75 1.11 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.27 4.24 4.30 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 1.23 0.00 0.00 50 P 0.00 4.66 0.00 2.02 2.17 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 51 Q 9.24 4.72 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 52 V 8.46 4.64 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 0.79 0.00 0.00 0.91 0.00 0.00 53 G 9.29 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.86 4.10 0.00 3.30 3.38 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.11 4.11 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 56 G 7.97 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.62 3.33 1.73 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.50 0.45 0.00 0.00 58 R 8.34 3.92 0.00 1.92 2.12 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 59 E 8.15 3.86 0.00 2.32 2.11 0.00 0.00 0.00 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 2.19 0.00 60 F 8.14 3.85 0.00 2.92 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 61 F 8.17 3.69 0.00 2.95 2.30 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 62 T 8.28 3.93 4.36 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 1.23 0.00 0.00 63 N 7.78 4.18 0.00 2.68 2.68 0.00 0.00 6.87 8.57 0.00 0.00 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 V 6.85 3.57 1.65 0.00 0.00 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 0.19 0.00 0.00 65 F 8.31 4.73 0.00 3.09 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 66 A 7.80 4.24 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.93 4.72 0.00 2.88 2.99 0.00 0.00 6.55 7.51 0.00 0.00 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 S 8.23 4.34 0.00 3.85 4.03 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 70 H 8.23 5.14 0.00 3.13 3.11 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 8.85 5.52 0.00 3.04 3.51 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.44 4.54 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.97 4.89 0.00 3.02 3.36 0.00 5.85 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 9.01 4.29 0.00 2.95 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 75 L 8.56 5.15 0.00 1.49 1.13 0.96 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.10 4.27 4.10 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 1.18 0.00 0.00 77 N 8.42 4.10 0.00 1.88 2.16 0.00 0.00 6.88 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 7.95 4.56 0.00 2.85 2.87 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 79 A 8.82 4.66 1.18 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 0.00 0.00 80 V 8.63 3.96 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 0.90 0.00 0.00 0.85 0.00 0.00 81 T 8.73 4.58 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 82 G 7.87 4.28 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 0.00 0.00 0.00 83 Y 8.52 5.24 0.00 2.91 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 9.19 4.40 0.00 2.09 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.08 0.00 85 G 6.21 4.06 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 0.00 0.00 0.00 86 D 7.73 4.79 0.00 2.61 2.58 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 87 T 7.58 5.58 4.34 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 1.26 0.00 0.00 88 A 8.88 5.07 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.95 5.61 0.00 3.86 3.86 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 *91 R 8.33 4.55 0.00 2.07 1.89 0.00 3.32 0.00 0.00 3.61 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.27 0.00 92 A 8.45 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.70 4.87 0.00 2.69 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 94 V 8.65 4.76 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.96 0.00 0.00 95 I 8.76 4.47 1.96 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.73 0.92 0.00 0.00 96 G 9.18 4.30 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 0.00 *98 G 8.39 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.59 5.06 2.14 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 0.79 0.00 0.00 0.97 0.00 0.00 100 G 9.21 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 0.00 0.00 0.00 101 K 8.86 4.04 0.00 1.74 1.90 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.45 7.81 102 D 8.09 4.51 0.00 2.77 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 0.00 103 G 8.20 3.95 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 0.00 0.00 0.00 104 R 8.26 4.36 0.00 1.92 1.88 0.00 3.13 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 105 A 8.61 5.16 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 0.00 106 V 8.50 4.79 2.35 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 0.88 0.00 0.00 1.04 0.00 0.00 107 T 9.06 4.90 4.28 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 1.26 0.00 0.00 108 V 9.04 4.68 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 1.12 0.00 0.00 1.11 0.00 0.00 109 N 8.97 5.20 0.00 2.80 2.75 0.00 0.00 6.78 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 0.00 110 G 8.35 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 0.00 0.00 0.00 111 R 8.42 5.10 0.00 1.71 1.24 0.00 3.16 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.33 0.00 112 Y 8.71 5.02 0.00 2.74 2.92 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 0.00 113 F 9.56 5.21 0.00 3.04 3.07 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 0.00 114 F 9.15 5.46 0.00 2.92 2.99 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 0.00 0.00 0.00 115 E 9.34 5.16 0.00 1.91 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 2.32 2.35 0.00 116 V 9.08 5.19 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.88 0.00 0.00 117 R 9.24 5.25 0.00 1.89 1.76 0.00 3.07 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 118 R 8.42 3.53 0.00 0.98 1.36 0.00 3.03 0.00 0.00 2.99 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 119 T 8.21 4.57 4.20 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 1.19 0.00 0.00 120 E 8.72 3.89 0.00 2.01 1.93 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 2.24 1.92 0.00 121 K 7.89 4.41 0.00 1.75 1.83 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.51 7.81 122 G 8.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 W 8.39 4.76 0.00 3.31 3.17 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 0.00 124 K 9.18 4.97 0.00 1.67 1.77 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.55 7.81 125 A 9.03 4.81 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 T 9.00 4.30 4.29 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 0.00 0.00 1.28 0.00 0.00 127 R 7.64 5.17 0.00 1.88 1.77 0.00 3.12 0.00 0.00 3.56 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 128 Y 8.88 5.34 0.00 2.46 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.90 5.57 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 *131 D 8.40 4.64 0.00 3.00 2.98 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 0.00 0.00 0.00 132 F 8.40 5.00 0.00 3.10 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 0.00 133 L 8.62 4.42 0.00 1.64 1.58 0.15 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 *135 P 0.00 3.78 0.00 1.96 1.87 0.00 3.65 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.99 0.00 136 L 7.66 3.81 0.00 1.12 1.39 1.14 1.00 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 0.00 137 S 8.78 4.60 0.00 4.11 3.78 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 0.00 138 G 8.99 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 T 8.16 4.67 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 1.24 0.00 0.00 140 L 8.31 4.72 0.00 1.81 1.71 1.12 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.19 4.35 0.00 2.73 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.18 4.52 0.00 2.74 2.87 0.00 0.00 6.72 7.35 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 0.00 143 A 7.97 4.31 1.29 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 0.00 0.00 0.00 0.00 0.00 144 K 7.54 4.14 0.00 1.68 1.70 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.57 7.81 * Residues marked with a * may have inaccurate shift predictions.