NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 40 L 4.2979 8.1693 120.6246 54.8624 42.9584 175.6046 41 T 4.3442 8.2647 114.1764 58.6734 70.4269 172.0888 42 P 4.6070 0.0000 0.0000 62.5193 33.4029 176.7084 43 L 4.5763 8.4899 121.2909 54.0013 42.7399 177.2976 44 A 4.2962 8.9743 124.5413 51.3636 19.9618 176.5123 45 Y 2.9445 8.2184 120.5044 58.6821 39.1306 176.3694 46 K 3.6406 7.2063 124.5845 57.0760 30.4618 175.0542 47 Q 4.6242 7.7555 120.7353 54.8371 30.8831 174.4522 48 F 5.3831 7.6628 118.3118 55.2247 41.4160 173.7933 49 I 4.8161 8.4973 121.4508 58.7973 40.7252 173.8429 50 P 4.8246 0.0000 0.0000 62.5136 32.2602 175.4464 51 N 4.8593 8.4896 116.2132 53.9097 38.3890 173.7478 52 V 4.7085 7.9090 109.2466 59.0757 36.3828 175.3776 53 A 3.7801 8.2548 123.0719 52.0587 18.8986 178.1760 54 E 2.5400 7.7997 122.8104 58.5111 29.5102 178.2195 55 K 5.2747 7.5905 115.4166 56.0704 32.7830 176.4851 56 T 4.5224 7.1193 108.6656 59.7408 70.6254 175.5548 57 L 3.9616 8.5097 122.5943 57.8584 41.8098 179.3086 58 G 3.7956 7.6007 107.0026 47.5042 0.0000 174.2110 59 A 4.7777 7.9175 117.6607 51.9501 17.7792 178.1221 60 S 4.4348 7.2588 122.1018 58.8556 63.8318 175.0743 61 G 3.8643 7.8568 109.1897 44.3664 0.0000 172.9799 62 R 4.2443 8.2209 117.7542 56.3263 30.5595 175.6224 63 Y 4.6495 8.2660 119.9196 56.0929 39.9790 175.0911 64 E 4.0193 8.7181 127.5091 56.8071 30.1254 177.3117 65 G 3.9752 6.4431 109.5097 44.5082 0.0000 171.7795 66 K 4.3058 8.2944 122.0404 56.4790 33.0237 176.1760 67 I 4.5261 8.9900 129.0589 60.6632 38.0355 174.8910 68 T 5.0401 8.3742 120.9622 60.7641 71.0161 173.9663 69 R 3.4481 8.6834 118.5745 58.8410 30.6589 177.2505 70 N 4.5526 8.0072 111.8398 53.3623 37.8914 174.5474 71 S 4.6224 7.5763 115.0809 57.0735 64.4111 175.1220 72 E 3.9655 8.9100 124.3891 59.4371 29.3007 178.4577 73 R 4.2631 7.9556 116.5490 57.0274 30.2554 177.1671 74 F 4.2178 8.4279 119.6257 60.7304 39.4976 176.5784 75 K 3.9804 7.3948 117.0862 58.3565 32.3792 177.6809 76 E 4.0173 7.6862 118.1169 57.4914 29.7939 175.7990 77 L 4.4674 6.8366 120.0964 53.4555 42.7901 176.3535 78 T 4.5645 8.2800 113.2600 58.9203 72.5208 171.7408 79 P 4.2646 0.0000 0.0000 62.7773 32.2380 175.6102 80 N 4.5691 7.9766 122.6767 51.7437 39.7332 174.3270 81 Y 4.5997 7.9237 127.8649 57.6601 38.6993 176.2691 82 N 4.5670 8.2056 119.6877 52.6782 39.2437 173.6348 83 P 4.4734 0.0000 0.0000 64.9904 31.6684 176.3941 84 D 4.9569 8.5864 118.9623 54.1571 40.9399 175.8758 85 I 4.9260 7.5693 119.3410 59.7733 41.2012 174.8806 86 I 4.4161 8.8610 127.9561 60.1209 38.6857 174.6576 87 F 4.8158 8.9554 126.7051 55.8847 39.6095 175.8365 88 K 3.9803 8.8186 126.4057 59.4485 32.2636 177.2989 89 D 4.1577 8.1353 118.6947 53.7233 41.2659 172.5948 *95 A 4.3784 8.2461 120.0224 51.9591 19.6915 176.7924 96 D 4.8472 8.2639 116.5390 56.1482 41.9779 176.9847 97 R 4.5161 7.7012 116.4238 57.5761 31.6054 176.2709 98 L 4.4384 8.0308 120.0531 55.0209 42.3085 176.1924 99 M 4.5031 8.2976 118.9060 54.5404 34.9681 174.3712 100 T 4.4817 7.8989 109.9740 61.1992 70.2336 175.7349 101 Q 3.8982 8.7676 121.5025 59.3781 28.9755 179.1239 102 R 4.0367 7.9907 118.9640 59.4767 29.8704 177.9348 103 C 4.0669 7.6394 117.2393 62.1605 31.5649 175.5325 104 K 3.9582 8.2501 120.4887 59.7636 31.6139 178.7456 105 D 4.3002 8.5474 119.3761 57.3763 40.6468 178.7972 106 K 3.6618 7.7903 118.3661 59.4539 31.8619 179.2608 107 L 4.2480 8.0646 120.5733 58.2464 41.8572 178.7095 108 N 4.3578 8.6457 116.7325 56.2999 37.9619 177.3036 109 A 4.1092 8.5088 122.6235 54.8323 18.3839 179.4643 110 L 4.0254 7.7984 119.0119 58.0272 42.1697 178.5633 111 A 4.0440 8.2848 121.0163 55.5045 18.1572 179.8049 112 I 3.6650 7.4722 116.5212 64.7135 37.1540 178.5188 113 S 4.0475 7.6748 112.8073 61.4700 61.9362 176.3745 114 V 3.7287 7.8880 121.3560 66.1504 31.2368 177.9741 115 M 4.6794 7.5692 116.9844 57.6980 31.0883 177.5851 116 N 4.4229 8.2357 117.7022 55.8755 39.1124 176.2991 117 Q 3.8104 7.4181 120.2731 56.8710 29.6923 175.5679 118 W 4.8551 7.5511 117.8550 53.8035 31.6913 173.8384 119 P 4.2812 0.0000 0.0000 63.4496 30.6485 176.8218 120 G 4.5043 8.8360 111.3612 46.1893 0.0000 172.1787 121 V 4.2566 7.3625 119.1942 60.7678 32.5588 175.3535 122 K 4.7049 8.0487 124.8319 54.6571 35.4211 174.7341 123 L 4.5575 8.2703 123.1028 54.3929 43.6686 174.9505 124 R 4.8734 8.6947 126.3581 54.4719 33.0921 174.1137 125 V 4.4989 8.7762 127.2342 61.7286 32.4887 176.0393 126 T 4.3005 8.7876 118.8327 62.9903 70.3994 174.8177 127 E 4.5532 7.7757 121.7451 56.1590 33.1951 172.8210 128 G 4.2480 8.9475 111.1669 45.7391 0.0000 174.8822 129 W 4.7395 9.6701 127.4997 56.6646 32.0507 173.7039 130 D 4.4338 8.0520 125.5411 52.1377 40.9081 175.8500 131 E 2.7975 8.0551 128.5008 57.6674 29.9430 176.4402 132 D 4.3396 8.5106 114.7524 53.7266 43.0903 177.7808 133 G 3.6544 8.7371 112.4685 46.6604 0.0000 174.0306 134 H 4.1676 8.9924 115.6652 56.7943 27.1622 174.0517 135 H 4.8942 7.9526 115.0574 53.7564 32.5591 173.4236 136 S 4.4569 8.4451 116.0079 57.7130 63.8318 173.7493 137 E 3.9849 8.5056 121.2758 58.3075 29.6563 177.1274 138 E 2.0000 8.3887 119.6778 56.1538 27.7083 174.6005 139 S 4.2396 7.5793 113.8406 57.7441 63.0543 175.1633 140 L 4.4379 8.5146 127.0310 57.3747 41.3674 179.0056 141 H 4.3131 8.0591 116.2150 58.5795 28.5483 176.3930 142 Y 4.7262 8.4649 118.1808 59.3953 37.3124 176.4337 143 E 4.8464 8.3950 118.9097 55.3112 30.5917 176.6000 144 G 4.6660 8.5601 106.1912 46.8366 0.0000 175.0034 145 R 4.7535 7.6920 116.0584 55.6308 31.4192 175.6797 146 A 5.2823 7.8379 120.7403 50.2925 22.9902 175.5338 147 V 4.8198 8.9395 112.3496 59.9905 36.8639 173.7914 148 D 5.5166 9.3273 124.9307 52.6588 42.9511 175.5645 149 I 5.0629 8.7307 117.1651 59.3650 41.4826 174.3791 150 T 4.2446 8.5842 113.5645 60.1036 73.0476 172.8470 151 T 4.4882 8.0107 111.7421 60.8091 70.1690 176.1571 152 S 4.0952 8.1629 116.6331 61.4215 63.0003 175.2368 153 D 4.4354 7.9552 117.2883 53.0031 39.5656 176.2645 154 R 3.9541 7.5785 116.5798 56.4818 28.3353 176.1714 155 D 4.3500 8.4083 119.0901 53.6362 39.5454 176.8897 156 R 2.5100 8.0473 127.0784 58.1482 30.3688 179.6652 157 S 4.1542 7.7175 111.8142 61.0073 63.4010 176.3375 158 K 4.2341 8.1144 120.5559 58.9496 31.3450 178.5769 159 Y 4.2139 7.9328 117.0251 61.1698 37.6507 178.9883 160 G 3.9993 8.3362 105.8156 48.3936 0.0000 175.2863 161 M 4.1288 8.2274 120.7212 57.7377 32.3646 177.6341 162 L 4.0844 8.5185 121.0032 58.2398 42.2120 178.7415 163 A 3.8476 7.9495 120.4427 55.2405 18.3054 179.4131 164 R 3.8349 8.0263 116.5337 59.7879 30.1507 178.5259 165 L 4.0078 8.2708 118.5703 57.7219 41.5427 179.4061 166 A 4.1957 8.1008 120.8787 54.8669 18.1767 179.9212 167 V 3.5987 7.8914 117.0275 66.3932 31.4857 178.1975 168 E 4.1103 8.2054 116.2976 58.7567 29.3916 178.7173 169 A 4.2238 7.8643 120.1632 53.2462 18.4184 178.1770 170 G 4.0574 7.5638 105.0188 45.2137 0.0000 173.9061 171 F 4.1543 7.8873 118.6239 57.2857 39.0102 175.5976 172 D 4.6686 8.9914 125.0677 56.6658 42.1795 175.8953 173 W 4.9742 8.2175 126.7205 56.7941 34.4448 173.2002 174 V 4.6408 8.4711 128.1675 61.3329 34.3418 173.9776 175 Y 4.9116 8.1875 127.3422 56.1683 42.0625 174.3925 176 Y 4.5642 8.8313 130.6381 57.3111 35.7312 175.6071 177 E 2.8951 7.7537 123.6793 58.2919 30.7314 176.1295 178 S 4.7685 7.4808 110.5146 57.5384 66.0228 176.2564 179 K 4.2342 9.1254 119.2481 59.4163 31.7660 178.4460 180 A 4.4273 7.6142 120.1868 54.4507 18.7838 176.3640 181 H 4.5491 7.6615 108.2215 55.1653 32.3390 173.0609 182 I 4.2597 8.0080 119.8439 59.6902 40.2074 174.1734 183 H 5.3084 8.7536 125.5341 54.7525 31.9860 172.8578 184 C 5.4485 8.8407 123.3779 58.2159 31.8528 173.0983 185 S 5.2761 8.8635 114.4149 57.9227 66.5229 173.1237 186 V 4.7933 8.6465 113.8476 59.6880 35.7773 175.1893 187 K 4.5602 9.5026 121.5028 55.1986 33.4626 175.6789 188 A 4.9344 8.1009 124.7643 51.7750 21.1536 177.1465 189 E 4.2065 8.6727 110.6815 56.5011 29.9226 172.5235 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 40 L 8.17 4.30 0.00 1.61 1.66 0.86 0.52 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 41 T 8.26 4.34 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 42 P 0.00 4.61 0.00 2.05 2.14 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 43 L 8.49 4.58 0.00 1.64 1.72 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.97 4.30 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 45 Y 8.22 2.94 0.00 2.37 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 46 K 7.21 3.64 0.00 1.50 1.80 0.00 1.75 0.00 0.00 1.39 0.00 0.00 2.73 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 1.05 7.81 47 Q 7.76 4.62 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 48 F 7.66 5.38 0.00 2.39 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 49 I 8.50 4.82 1.85 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 1.25 0.77 0.95 0.00 0.00 50 P 0.00 4.82 0.00 2.36 2.20 0.00 4.40 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.15 0.00 51 N 8.49 4.86 0.00 2.67 2.88 0.00 0.00 6.75 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 52 V 7.91 4.71 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 0.89 0.00 0.00 1.04 0.00 0.00 53 A 8.25 3.78 1.09 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 0.00 0.00 54 E 7.80 2.54 0.00 1.16 1.12 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 0.00 1.91 1.54 0.00 55 K 7.59 5.27 0.00 1.63 1.73 0.00 1.79 0.00 0.00 2.39 0.00 0.00 2.85 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.54 1.25 7.81 56 T 7.12 4.52 4.22 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 0.00 0.00 1.19 0.00 0.00 57 L 8.51 3.96 0.00 1.66 1.79 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 58 G 7.60 3.80 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 0.00 59 A 7.92 4.78 1.06 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 60 S 7.26 4.43 0.00 3.96 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 61 G 7.86 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 0.00 0.00 0.00 62 R 8.22 4.24 0.00 1.80 1.93 0.00 3.40 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 63 Y 8.27 4.65 0.00 2.86 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 64 E 8.72 4.02 0.00 1.81 1.84 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 2.23 2.18 0.00 65 G 6.44 3.98 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 0.00 0.00 0.00 66 K 8.29 4.31 0.00 1.72 1.70 0.00 1.25 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.49 1.21 7.81 67 I 8.99 4.53 2.37 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 1.35 0.83 1.03 0.00 0.00 68 T 8.37 5.04 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 1.28 0.00 0.00 69 R 8.68 3.45 0.00 1.66 1.63 0.00 3.14 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.60 0.00 70 N 8.01 4.55 0.00 2.80 2.90 0.00 0.00 5.98 7.64 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 71 S 7.58 4.62 0.00 4.19 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 72 E 8.91 3.97 0.00 2.11 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 2.39 0.00 73 R 7.96 4.26 0.00 1.85 1.92 0.00 3.15 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 74 F 8.43 4.22 0.00 3.33 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 75 K 7.39 3.98 0.00 1.78 1.78 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.24 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.76 1.57 7.81 76 E 7.69 4.02 0.00 1.89 1.87 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 2.25 2.20 0.00 77 L 6.84 4.47 0.00 0.65 1.00 -0.22 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.28 4.56 4.13 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 0.00 0.00 1.07 0.00 0.00 79 P 0.00 4.26 0.00 1.21 1.44 0.00 3.54 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 2.00 1.98 0.00 80 N 7.98 4.57 0.00 2.73 2.79 0.00 0.00 7.13 7.55 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 81 Y 7.92 4.60 0.00 3.01 2.84 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 82 N 8.21 4.57 0.00 3.09 2.86 0.00 0.00 7.03 8.48 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 83 P 0.00 4.47 0.00 2.26 2.21 0.00 3.87 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 84 D 8.59 4.96 0.00 2.85 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 85 I 7.57 4.93 2.22 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 1.29 0.71 0.74 0.00 0.00 86 I 8.86 4.42 1.86 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 1.25 0.82 0.94 0.00 0.00 87 F 8.96 4.82 0.00 2.88 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 88 K 8.82 3.98 0.00 1.79 1.84 0.00 1.94 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.40 7.81 89 D 8.14 4.16 0.00 2.92 2.69 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 0.00 0.00 0.00 0.00 *95 A 8.25 4.38 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 96 D 8.26 4.85 0.00 2.76 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 97 R 7.70 4.52 0.00 1.46 1.51 0.00 2.78 0.00 0.00 2.76 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.21 0.00 98 L 8.03 4.44 0.00 1.58 1.30 1.02 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 99 M 8.30 4.50 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 100 T 7.90 4.48 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 1.17 0.00 0.00 101 Q 8.77 3.90 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 102 R 7.99 4.04 0.00 1.83 1.90 0.00 3.14 0.00 0.00 3.41 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 103 C 7.64 4.07 0.00 3.11 3.13 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 0.00 0.00 0.00 104 K 8.25 3.96 0.00 1.95 1.84 0.00 1.81 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.74 7.81 105 D 8.55 4.30 0.00 2.67 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 0.00 106 K 7.79 3.66 0.00 1.25 0.74 0.00 1.34 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.95 1.02 7.81 107 L 8.06 4.25 0.00 2.09 1.88 1.06 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.65 4.36 0.00 2.94 2.87 0.00 0.00 6.93 7.09 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 0.00 109 A 8.51 4.11 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 0.00 110 L 7.80 4.03 0.00 2.06 2.01 1.04 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.28 4.04 1.44 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 0.00 112 I 7.47 3.66 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 1.42 0.45 0.92 0.00 0.00 113 S 7.67 4.05 0.00 3.93 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 0.00 114 V 7.89 3.73 2.33 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 1.37 0.00 0.00 1.11 0.00 0.00 115 M 7.57 4.68 0.00 2.47 2.24 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 2.73 2.69 0.00 116 N 8.24 4.42 0.00 2.75 2.97 0.00 0.00 7.11 6.81 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 0.00 117 Q 7.42 3.81 0.00 1.72 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.44 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 118 W 7.55 4.86 0.00 3.46 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 0.00 119 P 0.00 4.28 0.00 2.25 2.06 0.00 3.97 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 120 G 8.84 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 0.00 121 V 7.36 4.26 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 0.89 0.00 0.00 1.04 0.00 0.00 122 K 8.05 4.70 0.00 1.81 1.74 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.40 7.81 123 L 8.27 4.56 0.00 1.80 1.54 0.86 0.73 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 0.00 124 R 8.69 4.87 0.00 1.84 1.76 0.00 3.09 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.47 0.00 125 V 8.78 4.50 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 0.70 0.00 0.00 0.55 0.00 0.00 126 T 8.79 4.30 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 1.14 0.00 0.00 127 E 7.78 4.55 0.00 1.99 1.87 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 2.19 2.30 0.00 128 G 8.95 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 0.00 0.00 0.00 0.00 129 W 9.67 4.74 0.00 3.36 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 0.00 130 D 8.05 4.43 0.00 2.42 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 0.00 0.00 0.00 0.00 131 E 8.06 2.80 0.00 1.33 1.69 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 0.00 2.19 2.22 0.00 132 D 8.51 4.34 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.74 3.65 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 0.00 0.00 0.00 134 H 8.99 4.17 0.00 3.57 3.31 0.00 5.87 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 H 7.95 4.89 0.00 2.54 2.87 0.00 5.65 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 S 8.45 4.46 0.00 4.02 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 0.00 137 E 8.51 3.98 0.00 1.96 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 0.00 2.28 2.26 0.00 138 E 8.39 2.00 0.00 1.83 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 1.98 2.03 0.00 139 S 7.58 4.24 0.00 3.98 3.46 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 0.00 140 L 8.51 4.44 0.00 1.77 1.79 0.96 1.35 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 0.00 141 H 8.06 4.31 0.00 2.66 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 Y 8.46 4.73 0.00 3.45 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 0.00 143 E 8.39 4.85 0.00 2.17 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 2.36 2.49 0.00 144 G 8.56 4.67 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 0.00 0.00 0.00 145 R 7.69 4.75 0.00 1.71 2.20 0.00 3.23 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 146 A 7.84 5.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.94 4.82 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 0.74 0.00 0.00 0.87 0.00 0.00 148 D 9.33 5.52 0.00 2.41 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 0.00 0.00 0.00 0.00 149 I 8.73 5.06 1.73 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.60 0.73 0.00 0.00 150 T 8.58 4.24 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 1.06 0.00 0.00 151 T 8.01 4.49 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 0.85 0.00 0.00 152 S 8.16 4.10 0.00 4.03 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 0.00 153 D 7.96 4.44 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 0.00 154 R 7.58 3.95 0.00 1.97 2.06 0.00 3.12 0.00 0.00 3.02 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 0.00 155 D 8.41 4.35 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 0.00 156 R 8.05 2.51 0.00 1.60 1.57 0.00 3.03 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.29 0.00 157 S 7.72 4.15 0.00 3.96 3.93 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 0.00 158 K 8.11 4.23 0.00 1.68 1.16 0.00 0.90 0.00 0.00 0.61 0.00 0.00 2.17 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.09 1.32 7.81 159 Y 7.93 4.21 0.00 3.06 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 0.00 160 G 8.34 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 0.00 161 M 8.23 4.13 0.00 2.63 2.25 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.59 0.00 162 L 8.52 4.08 0.00 1.97 1.74 1.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 163 A 7.95 3.85 1.23 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 0.00 164 R 8.03 3.83 0.00 1.95 2.18 0.00 3.39 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 165 L 8.27 4.01 0.00 1.92 1.71 0.76 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 166 A 8.10 4.20 1.22 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 0.00 0.00 0.00 0.00 0.00 167 V 7.89 3.60 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 1.05 0.00 0.00 0.99 0.00 0.00 168 E 8.21 4.11 0.00 2.00 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 2.64 2.46 0.00 169 A 7.86 4.22 1.48 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 0.00 170 G 7.56 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 0.00 171 F 7.89 4.15 0.00 3.28 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 0.00 172 D 8.99 4.67 0.00 2.89 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 0.00 173 W 8.22 4.97 0.00 3.39 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 0.00 174 V 8.47 4.64 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 0.86 0.00 0.00 0.91 0.00 0.00 175 Y 8.19 4.91 0.00 1.53 2.36 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 0.00 176 Y 8.83 4.56 0.00 3.02 2.59 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 0.00 0.00 0.00 177 E 7.75 2.90 0.00 1.76 1.67 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 2.42 2.37 0.00 178 S 7.48 4.77 0.00 4.11 3.96 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 0.00 179 K 9.13 4.23 0.00 1.81 1.92 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.59 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.39 7.81 180 A 7.61 4.43 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 0.00 181 H 7.66 4.55 0.00 3.18 3.35 0.00 5.42 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 I 8.01 4.26 1.57 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.64 0.71 0.00 0.00 183 H 8.75 5.31 0.00 3.50 3.29 0.00 5.72 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 C 8.84 5.45 0.00 1.97 1.62 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 0.00 185 S 8.86 5.28 0.00 4.08 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 0.00 186 V 8.65 4.79 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 0.64 0.00 0.00 1.05 0.00 0.00 187 K 9.50 4.56 0.00 1.71 1.77 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.59 7.81 188 A 8.10 4.93 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 0.00 189 E 8.67 4.21 0.00 2.00 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 0.00 2.20 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.