NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4329 8.1749 117.3742 63.4782 70.0911 173.0307 2 S 4.6041 10.1247 121.6478 55.0333 66.1465 171.6009 3 I 5.3610 8.2120 118.2397 59.5127 41.0310 173.9834 4 M 4.9590 8.9222 120.2103 54.2380 35.1461 173.2779 5 A 5.1202 8.4272 120.5380 50.3174 22.2463 175.5292 6 V 4.5206 8.9529 122.7972 61.1693 34.5906 174.4957 7 T 4.9298 8.6831 118.4054 61.0299 70.5210 174.0900 8 F 4.9285 8.3305 118.1380 55.3173 41.1398 174.3339 9 K 3.7896 9.4248 120.5042 59.9889 31.6630 177.5230 10 D 4.8058 8.8490 114.2051 53.1226 42.9501 175.6992 11 G 4.3078 5.4035 113.2620 44.8163 0.0000 176.0026 12 V 4.9724 7.7826 117.4976 60.6764 34.1275 172.4692 13 I 4.7167 9.0034 122.8015 59.6630 40.9448 174.2688 14 L 5.1148 8.6166 125.8835 53.1055 43.9977 175.9971 15 G 4.3489 9.0349 108.8429 45.0106 0.0000 171.0258 16 A 5.7334 8.4897 120.5622 51.9918 22.2110 175.6249 17 D 4.7929 8.5818 119.9660 52.0308 42.2021 176.1192 18 S 4.9540 8.3133 110.5193 57.2024 64.2234 172.9325 19 R 5.1068 8.7471 121.6877 55.6837 31.8154 175.2169 20 T 4.7172 8.8055 116.4160 60.1967 71.3931 173.0520 21 T 5.0956 8.6813 116.2236 59.9612 71.9924 174.4480 22 T 4.4994 8.9587 113.2915 60.1753 69.8369 175.0600 23 G 3.9995 8.3536 121.5049 46.2698 0.0000 172.9906 24 A 4.4514 8.6027 127.2197 51.8778 19.6537 176.4856 25 Y 4.3724 7.7249 118.2761 56.4779 39.6792 174.5557 26 I 4.0759 7.2932 128.0650 59.7916 36.2592 175.3763 27 A 4.1375 8.1382 129.3940 54.4405 18.8936 177.5248 28 N 4.8015 8.1285 114.6571 52.6152 41.8040 174.6376 29 R 4.5327 8.5940 120.9977 56.4118 30.3415 176.6071 30 V 4.5231 8.1089 111.6705 61.3710 32.6206 176.0412 31 T 3.9218 8.0243 117.6074 64.4795 69.7103 172.9332 32 D 4.8899 8.5739 124.0614 52.5527 41.8201 175.4886 33 K 4.3052 8.5862 122.4996 56.7939 33.5170 176.2174 34 L 4.8857 8.2080 121.6521 53.9955 41.9645 175.8342 35 T 4.6062 8.7947 121.4168 61.6369 71.3154 174.1292 36 R 3.3172 7.9506 126.1404 54.9508 29.7238 176.1110 37 V 3.8618 8.1896 120.6107 63.1960 32.3947 175.1990 38 H 4.8032 7.9276 117.0714 54.4979 33.0979 172.3369 39 D 4.5957 8.3018 119.8523 57.3847 40.7760 179.4902 40 K 5.0648 7.9932 117.0433 55.9394 33.2559 176.2340 41 I 5.0703 8.0625 120.6995 60.0082 41.1930 175.1853 42 W 5.4744 9.6329 127.0649 54.8765 33.4815 174.0991 43 C 5.3490 9.4675 114.8021 57.1743 33.3956 172.6098 44 C 5.3056 9.1615 117.4532 58.1527 30.4211 173.2063 45 R 4.9554 8.6051 123.7873 54.6223 31.2903 176.1169 46 S 4.5297 8.9503 117.6574 57.9150 66.8226 173.2666 47 G 3.7338 8.8725 105.8881 44.0185 0.0000 172.9123 48 S 4.1142 8.9230 113.8814 58.7264 63.2497 176.3817 49 A 4.0614 9.0186 130.1821 54.6666 18.3112 179.6837 50 A 4.0951 8.0955 118.7805 55.3889 18.1897 179.4997 51 D 4.3346 8.0075 117.2951 57.6645 40.8264 179.1749 52 T 3.9901 8.2459 110.5797 64.7489 68.7068 176.7212 53 Q 4.0464 8.6772 121.1964 58.7776 28.7893 178.3663 54 A 4.0393 7.8055 121.7928 55.1455 18.3676 179.7884 55 I 3.6420 8.2367 118.4495 64.3915 37.2200 178.3473 56 A 4.0933 8.4331 121.8871 55.4706 18.4122 179.0560 57 D 4.3580 8.5137 117.5829 58.0081 40.9845 179.6235 58 I 3.7541 7.7602 119.8847 64.1384 36.9413 178.7918 59 V 3.3846 7.7568 119.2319 65.9469 31.2818 177.5912 60 Q 4.0172 8.3151 119.7789 59.6405 28.7877 177.9866 61 Y 3.9927 7.9127 119.8136 61.1260 38.7808 177.9041 62 H 3.9090 8.1593 117.0562 58.6592 28.7142 177.7712 63 L 4.0195 8.2093 121.0723 57.1514 41.4210 179.1519 64 E 3.8706 8.1144 119.7333 59.2370 29.7851 178.6217 65 L 3.7819 7.5315 120.4067 57.9583 41.9627 178.0481 66 Y 3.9242 8.0576 119.5851 61.1361 38.5175 178.0388 67 T 4.7236 7.9614 116.3818 66.4572 68.7290 176.0806 68 S 4.1147 7.6566 115.5259 61.7230 62.9490 176.4897 69 Q 3.9736 7.0801 118.1586 57.0160 29.0640 176.4549 70 Y 4.4678 7.4315 116.2619 57.6280 39.1211 175.4196 *72 G 3.9408 7.6301 108.9562 45.2211 0.0000 172.4521 73 T 4.2138 8.5375 115.1931 63.6390 68.7357 172.4697 74 P 4.6036 0.0000 0.0000 61.7306 33.0537 176.4079 75 S 4.4581 8.0276 114.7492 58.1754 65.5027 175.4231 76 T 3.9131 8.2759 119.0558 66.4633 68.0694 176.5683 77 E 3.8647 8.0656 120.9028 59.7842 29.8695 178.6284 78 T 3.7632 8.0134 115.5374 66.7673 68.4805 176.3496 79 A 3.9106 7.8762 121.7469 55.0378 18.4197 179.4958 80 A 4.1022 8.0242 119.3875 55.4371 18.4500 179.6848 81 S 4.0894 8.3626 112.0322 61.5126 62.3752 176.7563 82 V 3.5236 7.7554 120.6988 65.8534 31.2329 177.8168 83 F 4.1004 8.0023 117.4800 60.5933 38.7944 177.4306 84 K 3.9531 8.6245 119.3715 59.6282 31.9763 178.0639 85 E 3.9715 8.3162 119.3989 59.4429 29.3574 178.8952 86 L 4.0146 8.0893 118.6740 58.1067 41.5259 179.3590 87 C 4.2141 8.2887 115.5936 62.9190 28.3279 175.3510 88 Y 4.1807 8.7927 121.4552 60.8131 38.2861 177.6208 89 E 4.0978 8.3301 118.5710 58.1552 30.0555 176.7747 90 N 5.0299 7.7871 116.1842 52.4130 39.5232 176.3321 91 K 3.9683 7.6244 120.5548 60.1515 32.6484 177.6775 92 D 4.3228 7.6255 117.3883 56.5550 40.9653 177.4665 *94 N 5.0890 7.8928 114.5092 52.5614 40.0753 173.7070 95 L 5.1201 7.7356 116.8190 53.4760 45.4178 176.7485 96 T 4.7145 8.4651 117.0785 61.4291 69.7380 171.1549 97 A 4.9819 8.2657 124.2159 49.8892 22.6721 175.3583 98 G 4.0447 9.5818 110.6393 44.6098 0.0000 172.0438 99 I 4.9830 8.3291 126.5349 59.1448 40.4537 175.1541 100 I 4.4075 8.2426 126.7074 59.4598 39.6629 174.6220 101 V 4.7910 8.3690 126.0931 61.0186 33.4489 174.4285 102 A 4.8719 9.1296 129.2711 50.3633 22.3590 174.8080 103 G 4.4953 8.6127 106.5430 45.3182 0.0000 171.4420 104 Y 4.6949 8.8052 124.0136 55.6385 40.3597 175.1948 105 D 4.1987 7.4317 124.4197 54.2115 41.6193 175.1403 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 T 8.17 4.43 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 1.31 0.00 0.00 2 S 10.12 4.60 0.00 3.71 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 3 I 8.21 5.36 1.87 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 1.40 0.65 0.92 0.00 0.00 4 M 8.92 4.96 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 5 A 8.43 5.12 1.21 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 6 V 8.95 4.52 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 1.13 0.00 0.00 0.94 0.00 0.00 7 T 8.68 4.93 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 1.23 0.00 0.00 8 F 8.33 4.93 0.00 3.26 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 9 K 9.42 3.79 0.00 1.87 2.17 0.00 1.81 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.54 7.81 10 D 8.85 4.81 0.00 2.94 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 11 G 5.40 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 0.00 0.00 0.00 0.00 12 V 7.78 4.97 2.10 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 0.71 0.00 0.00 1.01 0.00 0.00 13 I 9.00 4.72 1.91 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.16 0.87 0.00 0.00 14 L 8.62 5.11 0.00 1.42 1.56 0.91 0.96 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 15 G 9.03 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 0.00 0.00 0.00 0.00 16 A 8.49 5.73 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 17 D 8.58 4.79 0.00 2.68 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 18 S 8.31 4.95 0.00 3.89 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 19 R 8.75 5.11 0.00 1.77 2.02 0.00 3.17 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 20 T 8.81 4.72 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 1.22 0.00 0.00 21 T 8.68 5.10 4.43 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 1.15 0.00 0.00 22 T 8.96 4.50 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 1.27 0.00 0.00 23 G 8.35 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 24 A 8.60 4.45 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 25 Y 7.72 4.37 0.00 3.04 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 26 I 7.29 4.08 1.55 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 1.23 0.52 0.80 0.00 0.00 27 A 8.14 4.14 1.39 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 0.00 0.00 0.00 28 N 8.13 4.80 0.00 2.71 2.61 0.00 0.00 6.74 6.97 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 29 R 8.59 4.53 0.00 1.90 1.94 0.00 2.99 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 30 V 8.11 4.52 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 0.70 0.00 0.00 1.02 0.00 0.00 31 T 8.02 3.92 4.25 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 1.23 0.00 0.00 32 D 8.57 4.89 0.00 2.69 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 33 K 8.59 4.31 0.00 1.78 1.84 0.00 1.85 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.49 7.81 34 L 8.21 4.89 0.00 1.88 1.84 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.79 4.61 4.32 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 1.20 0.00 0.00 36 R 7.95 3.32 0.00 0.67 1.09 0.00 3.02 0.00 0.00 2.84 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.50 0.00 37 V 8.19 3.86 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 0.91 0.00 0.00 1.06 0.00 0.00 38 H 7.93 4.80 0.00 2.98 3.19 0.00 5.97 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.30 4.60 0.00 2.71 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 40 K 7.99 5.06 0.00 1.86 1.98 0.00 1.81 0.00 0.00 2.00 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.58 7.81 41 I 8.06 5.07 1.98 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 1.44 0.87 1.03 0.00 0.00 42 W 9.63 5.47 0.00 3.20 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 43 C 9.47 5.35 0.00 2.73 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 44 C 9.16 5.31 0.00 2.80 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 45 R 8.61 4.96 0.00 1.73 1.88 0.00 3.07 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 46 S 8.95 4.53 0.00 3.82 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 47 G 8.87 3.73 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 0.00 48 S 8.92 4.11 0.00 3.82 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 49 A 9.02 4.06 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 50 A 8.10 4.10 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 51 D 8.01 4.33 0.00 2.89 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 52 T 8.25 3.99 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 1.29 0.00 0.00 53 Q 8.68 4.05 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 54 A 7.81 4.04 1.40 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 0.00 0.00 0.00 55 I 8.24 3.64 2.16 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.84 1.13 0.00 0.00 56 A 8.43 4.09 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 57 D 8.51 4.36 0.00 2.89 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 58 I 7.76 3.75 2.08 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 1.33 0.79 0.98 0.00 0.00 59 V 7.76 3.38 1.72 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 0.54 0.00 0.00 -0.04 0.00 0.00 60 Q 8.32 4.02 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 61 Y 7.91 3.99 0.00 3.15 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 62 H 8.16 3.91 0.00 3.38 3.27 0.00 5.67 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 63 L 8.21 4.02 0.00 1.74 1.60 0.84 0.86 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 64 E 8.11 3.87 0.00 2.03 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 0.00 2.21 2.26 0.00 65 L 7.53 3.78 0.00 1.36 1.35 0.80 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.06 3.92 0.00 3.29 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 67 T 7.96 4.72 4.47 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 0.00 0.00 0.00 1.25 0.00 0.00 68 S 7.66 4.11 0.00 3.89 3.83 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 0.00 0.00 0.00 69 Q 7.08 3.97 0.00 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.28 0.00 0.00 0.00 0.00 0.00 1.99 2.15 0.00 70 Y 7.43 4.47 0.00 2.40 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 *72 G 7.63 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 73 T 8.54 4.21 4.32 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 1.29 0.00 0.00 74 P 0.00 4.60 0.00 1.71 1.18 0.00 3.61 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 75 S 8.03 4.46 0.00 4.03 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 76 T 8.28 3.91 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 1.27 0.00 0.00 77 E 8.07 3.86 0.00 2.00 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 2.35 2.39 0.00 78 T 8.01 3.76 4.16 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 0.81 0.00 0.00 79 A 7.88 3.91 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 80 A 8.02 4.10 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 81 S 8.36 4.09 0.00 3.97 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 82 V 7.76 3.52 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 0.82 0.00 0.00 0.88 0.00 0.00 83 F 8.00 4.10 0.00 3.45 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 84 K 8.62 3.95 0.00 1.80 2.08 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.61 7.81 85 E 8.32 3.97 0.00 2.36 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 2.32 2.45 0.00 86 L 8.09 4.01 0.00 1.97 1.75 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.29 4.21 0.00 3.03 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 88 Y 8.79 4.18 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 89 E 8.33 4.10 0.00 2.39 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 2.39 2.43 0.00 90 N 7.79 5.03 0.00 2.86 2.74 0.00 0.00 6.56 8.30 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 91 K 7.62 3.97 0.00 1.77 2.01 0.00 1.39 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.34 1.30 7.81 92 D 7.63 4.32 0.00 2.82 2.72 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 *94 N 7.89 5.09 0.00 2.73 2.88 0.00 0.00 7.06 7.85 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 95 L 7.74 5.12 0.00 1.59 1.54 0.96 0.85 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 96 T 8.47 4.71 4.25 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 1.22 0.00 0.00 97 A 8.27 4.98 1.21 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 98 G 9.58 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 99 I 8.33 4.98 1.65 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 1.21 0.67 0.19 0.00 0.00 100 I 8.24 4.41 1.84 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 1.08 0.59 0.90 0.00 0.00 101 V 8.37 4.79 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 0.89 0.00 0.00 0.65 0.00 0.00 102 A 9.13 4.87 1.25 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 0.00 0.00 103 G 8.61 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 0.00 104 Y 8.81 4.69 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 0.00 105 D 7.43 4.20 0.00 2.43 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.