NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 44 C 4.7073 8.4393 115.4490 54.6012 42.9749 176.3059 45 S 4.4772 8.4517 107.3987 57.2838 64.5241 173.5064 46 R 4.2827 9.0158 120.9055 56.9520 31.4687 179.2536 47 I 3.9352 7.5699 117.6190 61.9302 37.2631 176.3298 48 L 3.8690 7.1486 121.8918 57.8136 41.9540 177.4248 49 R 3.9947 7.4526 118.3310 55.8931 30.2601 175.9613 50 A 4.6761 8.2876 123.6576 52.4431 22.1874 175.9412 51 Q 4.6143 7.9712 113.8361 55.2294 30.2553 175.1402 52 G 4.4035 8.2095 104.8865 45.5875 0.0000 173.8601 53 T 4.6797 9.0116 113.8371 59.4213 70.8673 173.7634 54 R 3.1202 8.3135 127.6388 55.8712 30.8817 176.1006 55 R 4.3577 8.8341 126.7604 54.5236 31.3910 173.8503 56 E 4.0107 8.4458 126.1141 56.5289 31.2135 176.0442 57 G 3.5606 8.6964 110.5314 44.3162 0.0000 171.8640 58 Y 4.7080 7.6059 116.3038 57.9408 38.1934 175.1492 59 T 4.7242 8.8683 120.0304 60.0990 70.5641 173.3089 60 E 4.1882 8.4216 118.0420 57.0135 30.6287 175.8049 61 F 5.4959 7.4935 119.0875 56.1284 41.6249 175.2505 62 S 4.8921 9.3638 118.3626 56.7909 67.2559 172.5477 63 L 5.1545 9.0282 127.3309 53.4074 43.5060 175.4434 64 R 4.7254 8.7010 121.6442 55.1642 33.9782 173.4674 65 V 4.9362 8.0829 118.0979 60.7169 34.1525 174.7094 66 E 4.1970 8.7503 128.0614 57.9711 29.7506 177.2198 67 G 3.9127 8.7548 112.1542 44.1399 0.0000 172.4850 68 D 4.3624 7.8924 118.1156 54.5264 39.6335 171.6652 69 P 4.3337 0.0000 0.0000 62.7160 32.5197 177.3445 70 D 4.5584 8.5252 121.8048 56.7060 41.2127 176.2296 71 F 5.2766 7.1912 111.7664 55.3185 41.0630 173.7819 72 Y 4.7998 8.7723 119.0078 55.7759 40.6180 175.1742 73 K 4.7831 9.1183 118.2825 54.0214 35.4796 174.3558 74 P 4.5781 0.0000 0.0000 63.7491 31.6288 176.8472 75 G 3.8237 8.9433 110.8851 45.8583 0.0000 172.9758 76 T 4.3981 7.7202 117.1712 61.8924 70.5721 174.0863 77 S 4.7986 8.1849 120.7588 57.4156 64.0211 172.9047 78 Y 4.7466 9.2378 123.5887 56.3172 40.6325 175.0083 79 R 4.9408 8.8578 123.3393 55.6306 31.7620 174.8996 80 V 4.9579 9.5619 128.2992 61.7266 33.8047 174.6351 81 T 5.0829 8.7503 117.0196 59.7681 72.5832 172.3120 82 L 4.9425 8.8831 126.7515 53.5852 44.2080 175.1966 83 S 5.5355 9.2990 122.1218 56.6865 67.1550 173.1712 84 A 5.1527 8.7449 123.4239 49.9394 20.9675 176.1440 85 A 4.1474 9.1048 124.4574 52.2703 19.9796 174.5324 86 P 3.7937 0.0000 0.0000 59.7471 33.2455 176.7526 87 P 3.9630 0.0000 0.0000 63.9771 27.9253 175.4626 88 S 4.7450 7.8921 110.3300 56.7644 66.0182 171.9327 89 Y 5.3528 7.9870 122.8366 55.5431 41.2618 173.7437 90 F 5.2060 9.0434 114.5814 55.5114 41.2684 175.5039 91 R 4.5458 9.4181 118.3584 57.0198 32.7408 175.9991 92 G 4.7698 8.0810 104.3855 46.4744 0.0000 171.5651 93 F 5.5725 8.3965 114.0455 57.1619 41.4563 172.3580 94 T 4.6043 8.0277 108.8386 60.2550 72.8813 172.5808 95 L 5.0508 8.1916 121.6577 54.2519 46.2823 173.7797 96 I 5.4079 8.6907 118.2055 59.3684 41.9458 173.5027 97 A 5.3044 8.8661 122.4474 50.3365 22.4101 175.0785 98 L 4.9315 8.9470 119.8094 52.9868 46.8021 176.1198 99 R 4.5648 8.3390 120.8348 55.7829 31.2529 175.9206 100 E 4.0134 8.8067 124.8205 58.1140 29.6797 176.4843 101 N 4.8348 9.1250 123.6356 53.7454 37.6942 175.3977 102 R 4.1774 7.5099 116.2174 55.8785 30.7105 175.8718 103 E 4.3678 8.7599 124.2904 57.5373 32.8973 177.3693 *107 E 4.4427 8.3502 110.7081 55.8078 30.8820 181.2593 108 E 4.8035 9.3272 114.7550 57.3915 30.3493 175.8778 109 D 5.0808 7.7992 114.7487 53.3815 39.1303 176.3424 110 H 5.5237 8.3236 113.8838 53.9286 31.5642 175.2359 111 A 4.3202 8.9264 125.6624 51.9802 19.8936 178.6563 112 G 3.7642 9.0419 111.8930 44.5137 0.0000 172.3623 113 T 4.7438 7.1201 106.5590 59.9688 72.1393 173.2802 114 F 5.4208 9.1725 122.2452 56.9737 41.1212 175.0962 115 Q 4.8577 9.2355 120.1492 54.0940 32.2586 175.1910 116 I 4.1051 8.6584 125.3837 61.5845 37.9591 175.3604 117 I 4.0462 8.4440 125.6568 62.8003 38.2055 175.8557 118 D 4.7715 7.6369 124.5472 52.5670 40.8951 176.9486 119 E 4.2210 8.6060 124.2525 58.2375 29.8221 178.0645 120 E 4.3028 8.0743 116.6990 57.4132 30.3886 176.5477 121 E 4.7369 8.1265 117.4901 57.0007 32.7737 175.8308 122 T 5.2969 8.1631 107.6202 60.1755 71.9512 173.3136 123 Q 4.5740 8.6691 119.1374 55.0459 32.3901 173.4491 124 F 4.7987 8.5422 119.2223 57.4527 40.0970 175.1197 125 M 4.2037 8.9463 123.6740 55.0477 32.2731 177.3585 126 S 4.3222 8.6610 121.2526 60.6622 63.6036 175.1233 127 N 4.4175 8.0731 118.2256 55.6439 38.8396 175.4568 128 C 4.6606 7.9899 118.3996 54.2048 44.6250 172.2361 129 P 4.1795 0.0000 0.0000 65.2175 31.0251 178.0926 130 V 3.8479 7.7623 116.0285 62.4063 32.1480 175.3071 131 A 5.0292 8.1238 123.5440 50.4125 21.9992 175.6304 132 V 4.5609 8.3039 120.9540 61.6439 33.7038 174.7707 133 T 4.0216 8.6309 121.4389 59.4676 71.5723 172.4366 134 E 4.7365 7.3577 121.7100 57.1365 30.1206 177.6749 135 S 4.7846 9.1160 115.2560 59.0031 64.2357 174.3326 136 T 4.7091 7.5797 116.9551 61.5209 72.2361 171.9887 137 P 5.3088 0.0000 0.0000 62.5551 31.3371 176.3627 138 R 4.1161 7.3587 118.1866 56.2103 30.5790 176.2924 139 R 4.2337 8.4137 122.0261 57.4737 30.6081 176.0412 140 R 4.7040 9.0483 121.0301 54.8589 34.7289 175.5552 141 T 4.4997 8.4012 108.9583 61.6764 71.2669 173.4441 142 R 5.3066 7.6470 120.8302 55.1425 33.5613 173.9500 143 I 4.9023 8.5903 123.7894 59.8961 41.9979 174.0486 144 Q 5.1750 8.4701 122.3824 54.8100 31.6750 174.3389 145 V 4.5630 9.0512 120.3092 60.3809 35.3354 173.9242 146 F 5.4780 8.9786 121.5535 57.4243 40.6774 174.4626 147 W 5.4469 9.7398 131.4500 55.9485 34.4202 173.5549 148 I 4.5720 7.9777 127.7828 59.1123 39.0645 175.0805 149 A 3.1267 8.2192 129.3430 50.7249 19.4345 175.4355 150 P 4.5373 0.0000 0.0000 61.4964 33.0026 173.9601 151 P 4.4404 0.0000 0.0000 62.3900 32.7745 175.7366 152 A 4.1492 8.5594 124.5518 54.6918 18.3552 178.1182 153 G 3.9271 9.0969 112.6805 46.8869 0.0000 173.7574 154 T 4.3239 7.5899 114.6667 62.6562 69.7282 177.6544 155 G 3.9234 8.0219 109.0574 45.9229 0.0000 173.5018 156 C 5.0933 8.5720 118.1137 56.2272 40.8279 173.0235 157 V 4.9569 9.1338 122.0629 61.2312 34.3733 174.0538 158 I 4.8200 9.1708 128.8322 59.6115 39.6758 174.3627 159 L 5.0185 8.7143 127.5064 53.1344 43.7710 175.6803 160 K 5.1221 8.7555 122.3490 54.4968 35.4767 175.1440 161 A 5.3978 8.9033 125.2710 50.1321 22.1783 175.3313 162 S 5.0507 8.6267 112.9891 56.6799 67.0026 173.1441 163 I 4.8693 8.7569 121.0638 59.5854 41.3011 174.4842 164 V 4.8608 8.8674 126.9581 59.5798 33.0634 175.3582 165 Q 4.2805 9.0401 127.1373 56.3828 31.0475 175.9912 166 K 4.1937 8.1149 118.0623 56.5876 32.8336 177.1775 167 R 4.2670 8.8678 116.4362 57.8693 32.1309 177.3593 168 I 3.7299 7.4061 118.8527 60.8982 37.9413 174.4704 169 I 4.4794 7.9988 125.6009 60.2660 38.6178 174.2392 170 Y 5.6748 9.3427 126.0660 56.2855 40.2462 174.8712 171 F 5.4103 7.9670 116.2922 56.4861 41.7517 172.1464 172 Q 4.6074 8.5709 115.2038 56.4650 30.6654 174.3326 173 D 4.6119 9.3591 118.7438 55.1053 42.4316 177.1581 174 E 4.6425 9.6515 117.9900 54.5774 32.9886 175.9283 175 G 4.0856 8.6768 107.1555 45.0864 0.0000 173.9775 176 S 4.3567 8.3845 113.7250 60.7691 63.3273 175.0511 177 L 4.6699 7.9040 120.7923 54.8874 42.6286 175.7606 178 T 5.0443 8.1299 115.6377 61.7197 72.2167 173.3887 179 K 4.4714 9.0714 127.0920 54.5971 35.2255 174.7641 180 K 4.9321 8.7205 127.3842 55.2846 33.5838 176.1923 181 L 4.8834 9.3375 124.9795 53.1933 45.3696 175.2859 182 C 5.3176 8.9929 122.0818 55.8854 43.6955 175.0645 183 E 3.1847 8.5756 117.2252 58.0358 29.9982 175.9040 *184 Q 4.0255 7.7515 119.4589 55.5051 28.8489 179.3148 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 44 C 8.44 4.71 0.00 3.08 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 45 S 8.45 4.48 0.00 4.08 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 46 R 9.02 4.28 0.00 1.83 1.92 0.00 3.23 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 47 I 7.57 3.94 1.83 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 1.27 0.30 0.87 0.00 0.00 48 L 7.15 3.87 0.00 1.70 1.65 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 49 R 7.45 3.99 0.00 1.41 1.61 0.00 3.23 0.00 0.00 2.63 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.11 0.00 50 A 8.29 4.68 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 51 Q 7.97 4.61 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 52 G 8.21 4.40 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 0.00 53 T 9.01 4.68 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 1.19 0.00 0.00 54 R 8.31 3.12 0.00 1.29 1.64 0.00 3.11 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.35 0.00 55 R 8.83 4.36 0.00 1.72 1.65 0.00 2.66 0.00 0.00 2.78 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 0.00 56 E 8.45 4.01 0.00 1.91 1.73 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 2.22 2.45 0.00 57 G 8.70 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 58 Y 7.61 4.71 0.00 2.99 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 59 T 8.87 4.72 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 1.37 0.00 0.00 60 E 8.42 4.19 0.00 1.76 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 1.47 1.73 0.00 61 F 7.49 5.50 0.00 2.89 2.83 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 62 S 9.36 4.89 0.00 3.69 3.69 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 63 L 9.03 5.15 0.00 1.52 1.64 0.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.70 4.73 0.00 1.90 1.97 0.00 2.76 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 65 V 8.08 4.94 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 1.32 0.00 0.00 0.89 0.00 0.00 66 E 8.75 4.20 0.00 2.11 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 2.38 2.31 0.00 67 G 8.75 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 68 D 7.89 4.36 0.00 2.78 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 69 P 0.00 4.33 0.00 2.22 2.06 0.00 3.83 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 1.82 1.90 0.00 70 D 8.53 4.56 0.00 2.98 2.89 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 71 F 7.19 5.28 0.00 2.98 2.89 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 72 Y 8.77 4.80 0.00 2.96 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 73 K 9.12 4.78 0.00 1.91 1.89 0.00 1.86 0.00 0.00 1.96 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.69 1.64 7.81 74 P 0.00 4.58 0.00 2.11 2.20 0.00 3.93 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.45 0.00 75 G 8.94 3.82 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 0.00 0.00 0.00 76 T 7.72 4.40 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 0.72 0.00 0.00 77 S 8.18 4.80 0.00 3.23 3.54 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 78 Y 9.24 4.75 0.00 3.37 3.14 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 0.00 0.00 0.00 0.00 79 R 8.86 4.94 0.00 2.13 1.93 0.00 3.17 0.00 0.00 3.46 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.28 0.00 80 V 9.56 4.96 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 0.79 0.00 0.00 1.15 0.00 0.00 81 T 8.75 5.08 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 1.21 0.00 0.00 82 L 8.88 4.94 0.00 1.41 1.21 0.72 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 83 S 9.30 5.54 0.00 3.79 3.76 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 84 A 8.74 5.15 1.70 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 0.00 0.00 85 A 9.10 4.15 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 86 P 0.00 3.79 0.00 2.05 1.99 0.00 3.66 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 1.98 2.14 0.00 87 P 0.00 3.96 0.00 2.10 2.19 0.00 3.61 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 88 S 7.89 4.75 0.00 3.59 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 89 Y 7.99 5.35 0.00 3.08 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 90 F 9.04 5.21 0.00 3.17 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 91 R 9.42 4.55 0.00 1.96 2.18 0.00 3.27 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 92 G 8.08 4.77 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 93 F 8.40 5.57 0.00 3.13 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 94 T 8.03 4.60 4.11 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 1.06 0.00 0.00 95 L 8.19 5.05 0.00 1.99 1.60 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.69 5.41 2.04 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 1.20 0.64 1.03 0.00 0.00 97 A 8.87 5.30 1.33 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 0.00 0.00 0.00 98 L 8.95 4.93 0.00 1.54 1.49 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.34 4.56 0.00 1.82 1.89 0.00 3.16 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 100 E 8.81 4.01 0.00 2.11 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 2.35 2.33 0.00 101 N 9.13 4.83 0.00 2.96 3.03 0.00 0.00 7.02 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 0.00 102 R 7.51 4.18 0.00 1.87 1.85 0.00 3.30 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.72 0.00 103 E 8.76 4.37 0.00 1.91 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 0.00 2.20 2.28 0.00 *107 E 8.35 4.44 0.00 2.05 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 2.13 1.91 0.00 108 E 9.33 4.80 0.00 1.96 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 2.25 2.30 0.00 109 D 7.80 5.08 0.00 2.75 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 0.00 110 H 8.32 5.52 0.00 3.09 3.42 0.00 5.74 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 0.00 111 A 8.93 4.32 1.33 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 0.00 0.00 0.00 112 G 9.04 3.76 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 0.00 0.00 0.00 113 T 7.12 4.74 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 1.17 0.00 0.00 114 F 9.17 5.42 0.00 3.39 3.14 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 0.00 0.00 0.00 0.00 115 Q 9.24 4.86 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 116 I 8.66 4.11 1.88 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 1.07 0.07 0.87 0.00 0.00 117 I 8.44 4.05 1.73 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 1.02 0.34 0.77 0.00 0.00 118 D 7.64 4.77 0.00 2.67 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 0.00 119 E 8.61 4.22 0.00 1.97 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 2.32 2.34 0.00 120 E 8.07 4.30 0.00 1.93 1.99 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 2.30 2.39 0.00 121 E 8.13 4.74 0.00 1.88 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 0.00 2.27 2.20 0.00 122 T 8.16 5.30 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 1.37 0.00 0.00 123 Q 8.67 4.57 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.04 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 124 F 8.54 4.80 0.00 2.99 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 0.00 125 M 8.95 4.20 0.00 2.26 1.89 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.66 0.00 126 S 8.66 4.32 0.00 4.02 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 0.00 127 N 8.07 4.42 0.00 2.69 2.89 0.00 0.00 6.63 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 0.00 128 C 7.99 4.66 0.00 2.85 2.90 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 0.00 129 P 0.00 4.18 0.00 2.10 2.11 0.00 3.79 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 1.94 1.91 0.00 130 V 7.76 3.85 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 0.59 0.00 0.00 0.90 0.00 0.00 131 A 8.12 5.03 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 0.00 132 V 8.30 4.56 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 0.86 0.00 0.00 0.44 0.00 0.00 133 T 8.63 4.02 3.92 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 1.10 0.00 0.00 134 E 7.36 4.74 0.00 2.42 2.28 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 2.34 2.06 0.00 135 S 9.12 4.78 0.00 3.83 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 0.00 136 T 7.58 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 1.24 0.00 0.00 137 P 0.00 5.31 0.00 2.20 2.15 0.00 3.37 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 138 R 7.36 4.12 0.00 1.81 1.85 0.00 3.26 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 139 R 8.41 4.23 0.00 1.60 1.72 0.00 2.95 0.00 0.00 2.64 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.54 0.00 140 R 9.05 4.70 0.00 0.73 1.55 0.00 3.03 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.34 0.00 141 T 8.40 4.50 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 1.22 0.00 0.00 142 R 7.65 5.31 0.00 1.80 1.76 0.00 3.22 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 143 I 8.59 4.90 1.77 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 1.36 0.84 0.38 0.00 0.00 144 Q 8.47 5.18 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.72 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 145 V 9.05 4.56 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 0.85 0.00 0.00 1.01 0.00 0.00 146 F 8.98 5.48 0.00 3.38 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 0.00 147 W 9.74 5.45 0.00 3.34 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 0.00 148 I 7.98 4.57 1.53 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.70 0.67 0.00 0.00 149 A 8.22 3.13 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 0.00 150 P 0.00 4.54 0.00 2.08 2.18 0.00 2.77 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.87 0.00 151 P 0.00 4.44 0.00 2.11 2.04 0.00 3.59 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 2.10 2.09 0.00 152 A 8.56 4.15 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 0.00 153 G 9.10 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 0.00 0.00 0.00 154 T 7.59 4.32 4.40 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 1.27 0.00 0.00 155 G 8.02 3.92 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 0.00 156 C 8.57 5.09 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 0.00 157 V 9.13 4.96 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 0.99 0.00 0.00 1.05 0.00 0.00 158 I 9.17 4.82 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.53 0.90 0.00 0.00 159 L 8.71 5.02 0.00 1.42 1.50 0.32 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 160 K 8.76 5.12 0.00 1.73 1.69 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.36 7.81 161 A 8.90 5.40 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 0.00 162 S 8.63 5.05 0.00 4.13 3.97 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 0.00 0.00 0.00 0.00 163 I 8.76 4.87 1.59 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.69 -0.12 0.00 0.00 164 V 8.87 4.86 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 1.14 0.00 0.00 0.97 0.00 0.00 165 Q 9.04 4.28 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 1.85 2.61 0.00 166 K 8.11 4.19 0.00 1.77 1.55 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.52 7.81 167 R 8.87 4.27 0.00 1.81 1.93 0.00 3.26 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 168 I 7.41 3.73 1.27 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.15 0.37 0.00 0.00 169 I 8.00 4.48 1.86 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 1.29 0.74 0.93 0.00 0.00 170 Y 9.34 5.67 0.00 2.92 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 0.00 171 F 7.97 5.41 0.00 3.04 3.12 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 0.00 0.00 0.00 172 Q 8.57 4.61 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 173 D 9.36 4.61 0.00 2.85 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 0.00 174 E 9.65 4.64 0.00 1.86 1.71 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 2.18 2.19 0.00 175 G 8.68 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 0.00 0.00 0.00 176 S 8.38 4.36 0.00 4.12 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 0.00 177 L 7.90 4.67 0.00 1.64 1.84 0.94 0.64 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 0.00 178 T 8.13 5.04 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 1.25 0.00 0.00 179 K 9.07 4.47 0.00 1.78 1.53 0.00 1.50 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.36 7.81 180 K 8.72 4.93 0.00 1.69 1.74 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.47 7.81 181 L 9.34 4.88 0.00 1.51 1.75 0.68 0.95 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 0.00 182 C 8.99 5.32 0.00 2.85 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 0.00 183 E 8.58 3.18 0.00 1.98 1.85 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 2.19 1.86 0.00 *184 Q 7.75 4.03 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.