NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.1852 8.0932 114.8326 57.8901 64.5239 174.1012 2 L 4.1295 8.4829 119.2351 56.7851 41.2194 178.0861 3 L 3.9706 8.5680 122.1696 58.2517 42.5271 178.5734 4 E 4.0230 8.0379 117.9099 59.4113 29.4710 178.9526 5 F 4.7105 8.5702 120.8658 61.4864 39.5256 177.3707 6 G 3.5567 8.5601 105.6296 47.5032 0.0000 175.5924 7 K 4.0051 8.0648 121.4940 59.6542 32.1995 178.7988 8 M 4.1443 8.1547 118.9385 58.5479 31.8179 178.7779 9 I 3.6550 7.7362 119.8856 64.2195 37.2351 178.3071 10 L 4.3818 7.7710 122.2851 57.8064 41.7606 178.8199 11 E 4.0638 8.0740 117.2639 59.4789 29.4651 178.8007 12 E 4.2480 8.4533 118.0223 58.2535 29.8649 178.0878 13 T 4.5040 8.2834 107.8372 60.5365 70.6094 175.6375 14 G 3.7666 8.2862 110.0785 45.9592 0.0000 173.1061 *16 K 4.5948 7.4369 117.6361 55.8173 33.5207 175.0705 17 L 4.2787 8.2080 122.2392 54.2973 42.2179 177.7865 18 A 4.1049 8.8767 127.2721 54.4479 18.4799 176.9345 19 I 4.6608 7.6012 115.8857 59.1675 39.1182 173.5411 20 P 5.0682 0.0000 0.0000 62.0934 31.9135 176.8056 21 S 4.1412 7.9025 116.0878 61.6049 62.6461 174.8085 22 Y 4.6500 8.3505 114.2542 57.6208 38.9047 176.4015 23 S 4.6301 8.0710 114.8069 59.3754 64.0093 175.3170 24 S 4.7686 7.8342 114.9044 58.3430 64.1188 172.2258 25 Y 4.6769 8.2576 122.8947 58.4576 39.7032 175.4353 26 G 3.2033 7.8489 117.3235 46.9214 0.0000 172.9776 27 C 4.4310 8.8986 115.4398 58.2095 40.8974 173.8112 28 Y 4.3991 8.6422 114.8748 57.8777 38.8889 175.7823 29 C 4.9711 8.5577 118.9174 54.8598 40.0023 174.9219 30 G 4.4951 7.2147 117.8314 46.1975 0.0000 172.5477 31 W 4.5476 8.7816 134.1101 57.2221 32.0907 175.6001 32 G 3.8898 8.3104 106.4100 46.0962 0.0000 172.2986 33 G 4.3818 7.6337 103.8633 44.8565 0.0000 172.8856 34 K 4.5387 7.2875 116.2889 55.6681 36.5546 177.1078 35 G 4.0766 9.2224 109.0909 45.0150 0.0000 172.9031 36 T 4.2529 8.0193 115.1173 61.5431 69.2221 173.5692 37 P 4.5948 0.0000 0.0000 62.9748 31.9188 176.7298 38 K 3.7851 9.3720 122.9875 59.2736 32.2599 176.3823 39 D 4.4480 7.2492 115.3159 51.6765 41.7158 174.8784 40 A 3.9980 8.8516 119.6120 56.3038 18.0702 180.0210 41 T 4.0290 8.0871 113.6698 66.9620 68.5928 176.2492 42 D 4.6083 8.9023 120.0655 57.4923 41.1713 178.5058 43 R 4.0034 8.3653 118.9332 59.2387 29.9561 178.2695 44 C 4.2045 8.2773 116.5718 60.3491 41.1482 175.5922 45 C 4.3354 8.1342 117.9403 59.7104 38.7752 175.8386 46 F 3.6549 8.2502 122.3667 61.2246 38.8612 177.3297 47 V 3.2930 8.0596 118.0969 66.1442 31.2332 177.2984 48 H 3.7954 8.1635 117.9398 59.3184 29.5152 176.9500 49 D 4.1432 7.9284 120.6633 57.5215 40.3932 178.1713 50 C 4.0713 7.3789 116.0091 59.7580 39.5058 175.0732 51 C 4.2862 8.1269 120.2897 60.0264 37.7673 175.3131 52 Y 4.1972 8.0681 118.5091 60.9513 37.2047 178.5087 53 G 3.8121 8.2511 105.2192 46.2693 0.0000 174.2900 54 N 4.9305 7.6342 117.6319 52.4598 40.2840 175.2130 55 L 4.8356 7.4330 117.2671 53.0452 41.9212 175.3306 56 P 4.1794 0.0000 0.0000 65.6605 32.2359 178.6170 *59 D 4.6539 7.8597 114.4265 53.2893 41.1068 175.2505 *61 C 5.2666 7.5430 116.6117 57.6508 38.6424 172.7893 *67 N 4.8715 7.9492 114.7575 52.4856 38.4398 173.2081 68 P 3.7620 0.0000 0.0000 65.4686 32.1076 178.3894 69 K 4.2198 7.9507 116.6373 58.8893 32.4734 178.9954 70 S 4.3201 7.9886 111.7896 59.9279 63.1884 174.2766 71 D 4.4170 8.2078 119.3529 55.0705 40.9875 176.4694 72 R 4.5740 8.4425 122.8170 55.3028 31.5470 175.1148 73 Y 4.9486 7.7664 117.9662 55.5485 41.2911 174.0152 74 K 4.7177 8.6465 121.0603 54.9834 34.6996 174.2822 75 Y 5.5528 8.1453 120.5957 55.7868 41.4102 173.0896 76 K 4.7107 9.2686 118.7355 55.2279 37.0896 174.6712 77 R 5.0675 8.5641 119.5765 54.5996 32.5295 174.5216 78 V 4.2931 8.5212 126.2127 62.0255 33.5045 175.0514 79 N 4.4472 9.6375 124.8783 54.6510 35.6113 175.3801 80 G 3.9150 8.6588 103.9482 45.5205 0.0000 173.8456 81 A 4.8324 7.5267 121.7293 49.6545 21.7804 175.8696 82 I 4.4413 8.2463 121.5951 61.4340 38.2222 175.8831 83 V 4.3109 9.3962 126.5134 61.2455 34.3405 173.9326 84 C 5.0536 8.9236 126.9523 56.1193 36.0806 173.8168 85 E 4.3717 8.7642 122.5121 54.8911 30.9168 175.9798 86 K 4.8663 7.8010 118.6692 55.9720 33.5072 175.9652 *88 G 4.4485 8.0650 112.0824 45.4656 0.0000 175.2188 89 T 4.3158 8.4198 116.8665 60.4497 71.2184 175.0279 90 S 4.0618 8.4821 115.4036 61.7696 62.3062 176.9467 91 C 4.2279 8.0545 118.5008 60.1389 40.2875 175.6156 92 E 3.9294 8.2009 120.0518 59.6066 29.1700 179.3803 93 N 4.2505 8.1546 116.2771 56.3532 38.6251 177.8144 94 R 3.8520 7.9632 119.4284 59.1424 30.1279 179.1472 95 I 3.5548 7.9587 120.0328 64.3987 37.0992 177.5023 96 C 3.2919 7.4372 119.1023 59.5539 44.5111 175.5715 97 E 3.8428 7.9677 119.9477 59.4551 29.1075 178.7449 98 C 4.1859 8.1929 116.5980 60.0479 39.8708 175.9262 99 D 3.6977 8.0400 120.4469 56.8956 40.3967 178.5863 100 K 3.7613 8.3669 120.2754 59.5737 32.2047 178.5336 101 A 3.8881 7.9835 120.6449 55.1207 18.1736 179.5391 102 A 3.5066 7.7328 118.5589 54.9213 18.4026 179.6420 103 A 3.9290 8.2052 119.6222 55.5048 18.4616 180.0148 104 I 3.6696 7.7170 118.2760 64.4127 37.0632 177.7745 105 C 4.4254 7.8457 120.7315 59.0589 43.1860 175.5983 106 F 4.4000 7.7573 118.4975 60.6604 38.7845 177.2526 107 R 4.0900 8.0143 118.1413 59.7789 30.0431 178.6290 108 Q 4.1620 8.6951 117.9147 58.0394 28.5194 177.5854 109 N 5.0159 7.6611 115.9290 53.1036 39.4276 176.7058 110 L 4.1965 7.8689 123.7357 57.6457 41.4067 178.4636 111 N 4.5760 8.2839 115.9555 55.4438 39.1041 174.9779 112 T 4.6133 7.7674 105.9444 61.4518 69.4664 173.3138 113 Y 4.1387 7.9755 123.8960 58.2010 39.2662 175.2715 114 S 4.7977 8.8084 123.5508 56.3396 65.2927 175.4690 115 K 4.0400 8.7526 125.1616 59.1418 32.0295 179.0901 116 K 3.9137 7.7367 116.5933 59.0698 32.5781 176.9237 117 Y 4.5142 7.4152 116.7526 57.9956 38.0598 175.3411 118 M 4.5051 7.6620 120.2356 55.7948 32.8076 175.6164 119 L 3.6677 8.5971 119.2649 55.8804 39.9801 174.7175 120 Y 4.0924 8.0349 119.5411 56.2825 39.4961 172.9760 121 P 4.3911 0.0000 0.0000 62.1460 32.1486 176.9483 122 D 4.2731 8.8433 123.2994 55.9711 39.3983 178.1572 *124 F 4.5889 7.8895 112.9611 56.5461 39.5434 175.6681 125 L 3.7782 6.9357 119.1971 55.4411 41.5971 175.7683 126 C 4.9293 8.4807 117.9761 54.8200 36.2960 173.3649 127 K 4.5711 8.3778 122.7785 56.0969 35.2910 175.7305 128 G 4.0046 8.8842 108.4045 46.0111 0.0000 172.6441 129 E 4.2843 8.6164 126.5256 55.7747 30.2926 175.3930 130 L 4.7260 8.4635 127.9277 52.5984 44.0496 175.9685 131 K 4.0745 8.4213 125.2698 57.1682 33.4482 177.7033 *133 C 4.9130 8.5464 117.1117 57.5637 41.5295 173.7160 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 1 S 8.09 5.19 0.00 4.19 4.45 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 0.00 0.00 0.00 0.00 2 L 8.48 4.13 0.00 1.91 1.92 1.04 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.57 3.97 0.00 1.68 1.66 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.04 4.02 0.00 1.89 1.68 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 1.47 2.14 0.00 5 F 8.57 4.71 0.00 3.36 3.18 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 6 G 8.56 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.06 4.01 0.00 2.08 2.21 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.56 7.81 8 M 8.15 4.14 0.00 2.12 2.33 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.06 0.00 9 I 7.74 3.65 1.84 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.40 0.70 0.00 0.00 10 L 7.77 4.38 0.00 1.79 1.84 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.07 4.06 0.00 2.19 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 2.41 2.77 0.00 12 E 8.45 4.25 0.00 1.99 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 2.52 2.45 0.00 13 T 8.28 4.50 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 1.27 0.00 0.00 14 G 8.29 3.77 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 0.00 0.00 0.00 *16 K 7.44 4.59 0.00 1.83 1.62 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.47 7.81 17 L 8.21 4.28 0.00 1.69 1.74 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.88 4.10 1.20 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 0.00 0.00 19 I 7.60 4.66 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.75 0.95 0.00 0.00 20 P 0.00 5.07 0.00 2.19 2.16 0.00 3.37 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 21 S 7.90 4.14 0.00 3.90 3.35 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 22 Y 8.35 4.65 0.00 2.76 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.07 4.63 0.00 4.10 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.83 4.77 0.00 4.04 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 0.00 25 Y 8.26 4.68 0.00 3.11 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 26 G 7.85 3.20 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 0.00 0.00 0.00 27 C 8.90 4.43 0.00 2.89 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 28 Y 8.64 4.40 0.00 3.36 3.11 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 0.00 0.00 0.00 29 C 8.56 4.97 0.00 3.49 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.21 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.78 4.55 0.00 3.29 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 32 G 8.31 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 33 G 7.63 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 0.00 0.00 0.00 0.00 34 K 7.29 4.54 0.00 1.65 1.68 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.41 7.81 35 G 9.22 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 36 T 8.02 4.25 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 1.13 0.00 0.00 37 P 0.00 4.59 0.00 1.91 2.01 0.00 3.44 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.83 0.00 38 K 9.37 3.79 0.00 0.79 0.74 0.00 1.44 0.00 0.00 1.34 0.00 0.00 2.84 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.92 0.21 7.81 39 D 7.25 4.45 0.00 2.83 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 40 A 8.85 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.09 4.03 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 0.99 0.00 0.00 42 D 8.90 4.61 0.00 2.98 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 43 R 8.37 4.00 0.00 2.07 1.97 0.00 3.13 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 44 C 8.28 4.20 0.00 3.26 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 45 C 8.13 4.34 0.00 3.40 3.53 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 46 F 8.25 3.65 0.00 2.48 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 47 V 8.06 3.29 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 0.90 0.00 0.00 1.03 0.00 0.00 48 H 8.16 3.80 0.00 3.09 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.93 4.14 0.00 2.66 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 50 C 7.38 4.07 0.00 2.80 2.91 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 0.00 0.00 0.00 51 C 8.13 4.29 0.00 2.96 3.05 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 52 Y 8.07 4.20 0.00 3.06 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 53 G 8.25 3.81 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 0.00 0.00 0.00 54 N 7.63 4.93 0.00 2.80 2.77 0.00 0.00 6.73 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 55 L 7.43 4.84 0.00 1.62 1.48 0.80 0.71 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 56 P 0.00 4.18 0.00 2.15 2.08 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 *59 D 7.86 4.65 0.00 2.82 2.91 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 0.00 0.00 0.00 *61 C 7.54 5.27 0.00 2.99 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 *67 N 7.95 4.87 0.00 3.13 2.80 0.00 0.00 7.57 8.03 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 68 P 0.00 3.76 0.00 1.20 0.49 0.00 3.48 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 69 K 7.95 4.22 0.00 1.89 1.98 0.00 1.80 0.00 0.00 1.94 0.00 0.00 3.13 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.77 1.54 7.81 70 S 7.99 4.32 0.00 3.85 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 71 D 8.21 4.42 0.00 2.72 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 72 R 8.44 4.57 0.00 1.81 1.91 0.00 3.33 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 73 Y 7.77 4.95 0.00 3.03 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 74 K 8.65 4.72 0.00 1.73 1.86 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.41 7.81 75 Y 8.15 5.55 0.00 3.03 3.11 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 0.00 0.00 0.00 76 K 9.27 4.71 0.00 1.82 1.93 0.00 1.27 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.72 1.42 7.81 77 R 8.56 5.07 0.00 1.91 1.87 0.00 3.22 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 78 V 8.52 4.29 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 0.97 0.00 0.00 0.96 0.00 0.00 79 N 9.64 4.45 0.00 2.93 2.91 0.00 0.00 7.20 7.65 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 80 G 8.66 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.53 4.83 1.24 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 0.00 0.00 0.00 82 I 8.25 4.44 1.84 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 1.27 0.69 0.77 0.00 0.00 83 V 9.40 4.31 2.15 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 1.01 0.00 0.00 1.03 0.00 0.00 84 C 8.92 5.05 0.00 3.02 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 85 E 8.76 4.37 0.00 2.14 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 0.00 2.42 2.32 0.00 86 K 7.80 4.87 0.00 1.82 1.79 0.00 1.98 0.00 0.00 1.92 0.00 0.00 2.87 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.53 1.34 7.81 *88 G 8.06 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.42 4.32 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 1.27 0.00 0.00 90 S 8.48 4.06 0.00 3.89 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 91 C 8.05 4.23 0.00 2.98 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 92 E 8.20 3.93 0.00 2.27 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 0.00 2.63 2.41 0.00 93 N 8.15 4.25 0.00 2.84 2.80 0.00 0.00 7.05 7.11 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 94 R 7.96 3.85 0.00 1.78 1.89 0.00 3.07 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 95 I 7.96 3.55 1.63 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.66 0.88 0.00 0.00 96 C 7.44 3.29 0.00 2.14 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 97 E 7.97 3.84 0.00 2.08 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 2.43 2.42 0.00 98 C 8.19 4.19 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 99 D 8.04 3.70 0.00 2.80 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 0.00 100 K 8.37 3.76 0.00 1.69 1.90 0.00 1.58 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.39 7.81 101 A 7.98 3.89 1.28 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 0.00 102 A 7.73 3.51 1.03 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 0.00 0.00 103 A 8.21 3.93 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 0.00 104 I 7.72 3.67 1.80 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 1.38 0.58 0.88 0.00 0.00 105 C 7.85 4.43 0.00 2.99 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 0.00 106 F 7.76 4.40 0.00 3.00 2.65 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 0.00 0.00 0.00 0.00 107 R 8.01 4.09 0.00 1.93 2.14 0.00 3.11 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 108 Q 8.70 4.16 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.69 0.00 109 N 7.66 5.02 0.00 2.90 2.88 0.00 0.00 6.87 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 0.00 110 L 7.87 4.20 0.00 1.82 1.74 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.28 4.58 0.00 2.72 2.89 0.00 0.00 6.76 7.70 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 0.00 112 T 7.77 4.61 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 1.27 0.00 0.00 113 Y 7.98 4.14 0.00 3.00 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 0.00 114 S 8.81 4.80 0.00 3.85 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.75 4.04 0.00 1.80 1.88 0.00 1.70 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.68 1.55 7.81 116 K 7.74 3.91 0.00 1.58 1.71 0.00 1.16 0.00 0.00 1.41 0.00 0.00 2.57 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.80 0.21 7.81 117 Y 7.42 4.51 0.00 1.99 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 0.00 0.00 0.00 118 M 7.66 4.51 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.68 0.00 119 L 8.60 3.67 0.00 1.76 1.76 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.03 4.09 0.00 3.05 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 0.00 121 P 0.00 4.39 0.00 2.14 2.15 0.00 2.83 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 1.22 1.64 0.00 122 D 8.84 4.27 0.00 2.89 3.05 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 *124 F 7.89 4.59 0.00 3.13 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 0.00 125 L 6.94 3.78 0.00 1.20 1.47 0.12 0.25 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 0.00 126 C 8.48 4.93 0.00 2.93 3.15 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 0.00 127 K 8.38 4.57 0.00 1.90 1.88 0.00 1.51 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.46 7.81 128 G 8.88 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 0.00 0.00 0.00 0.00 129 E 8.62 4.28 0.00 1.96 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 2.33 2.42 0.00 130 L 8.46 4.73 0.00 1.62 1.64 0.84 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.42 4.07 0.00 1.98 1.96 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.58 1.43 7.81 *133 C 8.55 4.91 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.