NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 K 4.3958 8.1727 124.0603 55.2673 33.8508 173.7088 29 V 4.6478 8.4382 126.3598 59.4462 33.4369 169.8007 30 V 4.4424 9.2325 127.6168 61.2249 34.8064 173.2325 31 K 5.2602 8.8799 129.4767 54.7578 34.4240 174.7375 32 F 5.1997 8.5090 121.0475 56.0337 42.0048 172.6432 33 S 4.8309 8.5316 112.3699 57.2067 66.2985 172.6529 34 Y 4.5649 8.3246 120.7925 56.1384 42.1708 173.0208 35 M 4.9408 7.9132 125.9790 53.5889 34.2118 174.4257 36 W 4.8100 9.3231 135.0000 56.1301 33.0851 174.2262 37 T 4.8048 8.7653 124.6181 62.2464 69.5710 174.4432 38 I 4.1994 8.6190 128.6180 59.5520 38.5967 175.2277 39 N 4.6363 8.7073 124.6183 52.7809 39.8817 174.6917 40 N 4.0850 8.3616 114.8056 52.9930 36.0671 176.3797 41 F 4.0007 8.4721 121.6627 61.2163 39.8521 176.1475 42 S 4.2779 8.5871 113.7870 60.1916 62.8303 175.0767 43 F 4.3393 8.1758 121.6362 59.1797 38.7522 174.9737 44 C 3.6448 7.8445 115.8048 59.3121 24.3012 178.7571 45 R 4.5284 7.9689 116.6005 56.1700 30.4456 176.3287 46 E 4.6972 7.8545 117.8623 54.6102 31.4873 175.8224 47 E 4.3768 9.3056 124.6826 54.6444 31.0097 175.5870 48 M 4.2746 8.4158 119.1205 57.8456 32.2567 176.2712 49 G 4.1050 9.2067 114.8485 44.9547 0.0000 173.7358 50 E 4.3762 8.0994 119.4583 55.9989 30.3255 175.7852 51 V 4.8676 8.0165 119.1697 60.1806 34.8847 174.5761 52 I 4.8218 9.0711 123.6378 59.4819 39.8500 174.6089 53 K 5.1738 8.8049 125.8829 55.0766 34.7942 176.1929 54 S 4.0278 8.1244 118.1158 57.1717 64.1353 173.9839 55 S 4.2356 8.3196 116.4380 58.7026 63.1458 174.5293 56 T 4.3389 7.9811 112.5765 61.8093 69.7294 173.3811 57 F 5.1171 8.3069 117.6178 56.0224 42.1450 172.8521 58 S 4.9506 8.3742 112.8062 57.4059 65.5484 173.8730 59 S 3.7622 8.1216 113.3411 61.0433 63.1077 174.5228 *65 L 3.9672 7.5623 118.9326 54.0298 42.6901 176.4618 66 K 4.6432 8.0850 122.2395 54.7624 34.2793 175.6630 67 W 5.2505 8.6472 123.3209 55.1177 33.8472 173.6579 68 C 4.6220 8.7397 115.2902 57.1541 33.3005 172.5126 69 L 5.2527 8.6022 118.9924 53.1764 44.3635 176.1243 70 R 5.4083 9.1160 120.3710 54.5163 34.2015 174.6966 71 V 5.0619 9.4214 123.0441 60.0774 35.0568 174.5241 72 N 5.4162 9.1753 121.4313 50.3612 39.2848 173.8740 73 P 4.5909 0.0000 0.0000 64.6467 32.0387 177.5606 74 K 4.5978 8.0965 117.8010 55.7911 33.1653 176.6480 75 G 4.4992 7.7886 102.9475 45.6995 0.0000 175.4310 76 L 4.0465 8.4938 122.2365 57.6290 42.5159 176.3194 77 D 4.6595 8.2410 116.2080 52.0750 42.3805 175.1263 78 E 3.9599 8.9597 119.5096 59.4790 29.3971 177.8535 79 E 4.2379 7.8454 114.9163 57.9512 30.0531 177.3584 80 S 4.8883 8.4647 115.9819 58.4522 63.5489 176.5549 81 K 4.6339 8.5993 122.9830 56.9567 31.5544 181.2999 82 D 4.7485 8.2269 114.9761 54.3267 40.1180 175.0734 83 Y 5.2784 8.2245 117.9023 56.1440 42.4433 174.7033 84 L 4.7941 9.0678 122.3842 55.0457 43.1576 176.1765 85 S 5.5096 9.0105 119.5538 56.9606 65.7637 173.0614 86 L 5.1469 8.6036 125.0193 53.7707 45.4344 174.5554 87 Y 5.1968 9.1557 122.8988 56.2002 42.8464 173.7146 88 L 5.0482 9.1441 125.0771 53.5581 44.3353 174.7577 89 L 5.3350 9.0809 128.4035 53.1334 45.2412 174.7158 90 L 3.7299 8.7152 128.7931 54.5656 42.3868 177.0696 91 V 3.6832 8.3005 127.5176 64.8037 32.3546 176.6062 92 S 4.3490 7.4460 114.6827 57.2377 64.1986 172.8034 93 C 4.3326 8.1297 122.2264 57.3462 31.4035 171.5305 94 P 4.5370 0.0000 0.0000 62.3151 31.9477 176.4342 95 K 4.2079 8.4345 118.5908 57.8118 32.5885 176.8909 96 S 4.7866 7.5753 111.0542 55.6112 66.2257 173.3198 97 E 3.9724 8.7659 120.2795 56.9453 29.6789 176.7421 98 V 4.5340 8.5389 122.8790 61.3017 34.1095 174.1258 99 R 5.4823 8.6100 125.5508 54.4816 33.2722 174.8765 100 A 5.2868 9.5919 124.5555 50.3314 22.9294 174.9697 101 K 4.8460 8.8528 121.4034 55.1663 34.3321 175.8975 102 F 5.3792 8.1256 117.8245 55.0407 41.9230 173.4820 103 K 4.9021 8.9620 120.9834 54.9151 35.5856 174.6805 104 F 5.8722 9.2004 126.3869 56.0175 41.7402 174.8562 105 S 5.3304 9.5117 116.7498 57.1029 67.4353 172.3690 106 I 5.0083 8.7975 120.9482 59.6143 39.3894 175.0540 107 L 4.9153 8.7443 127.9506 53.9275 42.7931 177.1120 108 N 4.6606 8.7326 121.2821 51.6167 39.2949 175.4693 109 A 3.9516 8.4257 119.8322 54.9449 18.4238 178.5151 110 K 4.1682 8.1803 113.0966 56.2989 32.4659 177.5848 111 G 3.8381 8.2150 107.4389 45.4883 0.0000 173.5082 112 E 4.3365 8.2185 119.5076 55.3256 31.0542 175.9487 113 E 4.5022 8.6171 123.1602 56.8483 30.2294 176.0992 114 T 4.6014 8.8135 117.9553 60.1457 71.8386 172.9435 115 K 3.7710 8.6221 120.7416 57.2506 29.7339 175.6618 116 A 4.6615 7.8477 118.2810 52.3531 19.7107 177.9186 117 M 4.5668 9.4553 120.1417 53.6860 35.5947 173.6167 118 E 5.1320 8.5061 126.4109 53.8373 31.6245 175.6273 119 S 4.1748 8.4571 121.2433 58.6263 63.3693 175.1740 120 Q 3.8891 8.6676 120.8856 57.3473 28.9570 175.1147 121 R 4.4709 6.9013 113.2512 54.9245 32.7873 174.2642 122 A 4.3355 8.3242 121.1417 52.1677 19.1060 176.5831 123 Y 4.1444 8.9568 119.4921 55.7442 41.1121 175.1777 124 R 4.6880 8.4789 123.5204 56.3630 30.9011 175.3362 125 F 5.0083 9.4811 126.3438 56.1126 40.7887 176.1227 126 V 4.3370 8.3131 116.6842 58.8555 34.0567 174.9179 127 Q 4.1135 8.3394 122.1848 58.0489 28.9336 176.7179 128 G 3.8248 9.0539 113.6144 45.1447 0.0000 172.5239 129 K 4.4330 7.9639 122.0483 54.7225 33.7917 175.0562 130 D 5.7061 8.2317 125.8664 51.6558 42.3986 175.2604 131 W 5.1031 8.9486 118.5585 55.1480 33.6039 175.0971 132 G 3.7584 7.9182 109.8979 46.1613 0.0000 172.8180 133 F 4.9042 7.9676 121.6849 55.3258 41.8560 176.0784 134 K 4.1316 9.0439 125.6977 58.9148 33.1093 177.4952 135 K 4.3725 7.6229 118.0347 54.5680 31.8436 175.2635 136 F 4.5305 9.1768 124.4812 60.6568 40.2797 175.3370 137 I 4.4355 7.4650 118.4822 58.0947 40.9682 173.6682 138 R 3.9689 8.4377 125.6830 55.9631 31.3082 177.9342 139 R 4.1004 8.8663 124.4193 59.6203 30.0265 179.1378 140 G 3.6632 7.9517 103.3653 46.8961 0.0000 175.1436 141 F 4.2065 7.9703 122.8703 61.1936 39.4812 176.8736 142 L 3.9653 7.9358 118.4957 58.2430 42.0016 178.6114 143 L 4.3722 8.1721 117.3613 55.4609 41.9056 176.4976 144 D 4.5253 7.4975 119.9862 52.8124 41.3493 176.5359 145 E 3.9009 8.8871 125.5800 59.2539 29.6325 179.1070 146 A 3.9070 7.8899 121.6225 54.8466 18.4477 178.1756 147 N 4.2396 7.8300 112.1335 54.0331 38.6662 176.1241 148 G 3.8328 8.0307 106.2107 46.3584 0.0000 174.2296 149 L 4.4473 7.7662 116.8001 54.3885 42.8831 176.5716 150 L 5.2658 7.4759 117.5954 51.6848 42.3111 174.8290 151 P 4.4109 0.0000 0.0000 64.3259 32.1335 176.6716 152 D 4.4385 9.5170 120.5876 55.1715 38.5489 172.9495 153 D 4.4477 8.1877 114.5104 55.1512 40.3788 172.1641 154 K 4.7769 7.8788 116.5696 54.0377 34.6016 175.0266 155 L 4.4914 8.6676 127.7090 53.9799 43.7613 175.0906 156 T 4.9253 8.3963 122.9477 61.9793 71.0450 172.9643 157 L 5.1495 8.9354 127.6278 53.1247 44.3506 175.6030 158 F 5.3783 9.4165 125.1607 56.5936 42.4277 172.9631 159 C 5.2916 8.6382 126.9466 57.6202 34.0776 172.0347 160 E 4.6722 9.0179 126.0522 54.3605 32.0895 175.0952 161 V 4.3743 8.1000 124.1336 60.8689 34.6942 173.9326 162 S 4.9226 8.9711 123.6065 56.7067 64.1922 172.5365 163 V 4.8348 8.9579 128.8484 61.5783 33.4163 174.6747 164 V 4.9469 8.7858 127.4585 61.3050 34.5357 175.3485 165 Q 4.2489 8.7062 125.0135 56.2848 29.4808 174.7382 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 28 K 8.17 4.40 0.00 1.47 1.80 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.02 7.81 29 V 8.44 4.65 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 0.92 0.00 0.00 0.95 0.00 0.00 30 V 9.23 4.44 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 0.97 0.00 0.00 0.99 0.00 0.00 31 K 8.88 5.26 0.00 1.79 1.68 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.48 7.81 32 F 8.51 5.20 0.00 3.11 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 33 S 8.53 4.83 0.00 3.14 3.58 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 34 Y 8.32 4.56 0.00 1.52 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 35 M 7.91 4.94 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 36 W 9.32 4.81 0.00 3.45 3.02 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 0.00 0.00 0.00 37 T 8.77 4.80 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 1.22 0.00 0.00 38 I 8.62 4.20 1.65 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 -0.34 0.91 0.00 0.00 39 N 8.71 4.64 0.00 2.55 2.65 0.00 0.00 7.25 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 40 N 8.36 4.08 0.00 2.04 1.42 0.00 0.00 7.25 8.13 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 41 F 8.47 4.00 0.00 2.87 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 42 S 8.59 4.28 0.00 4.09 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 0.00 43 F 8.18 4.34 0.00 2.99 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 44 C 7.84 3.64 0.00 2.90 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 45 R 7.97 4.53 0.00 1.80 1.97 0.00 3.26 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 46 E 7.85 4.70 0.00 1.88 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 2.22 2.36 0.00 47 E 9.31 4.38 0.00 1.97 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 2.30 2.39 0.00 48 M 8.42 4.27 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.68 0.00 49 G 9.21 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 0.00 0.00 0.00 50 E 8.10 4.38 0.00 2.22 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 2.27 0.00 51 V 8.02 4.87 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 0.78 0.00 0.00 1.10 0.00 0.00 52 I 9.07 4.82 2.13 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.92 1.22 0.00 0.00 53 K 8.80 5.17 0.00 1.68 1.80 0.00 1.51 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.37 7.81 54 S 8.12 4.03 0.00 2.73 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 55 S 8.32 4.24 0.00 3.92 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 56 T 7.98 4.34 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 1.06 0.00 0.00 57 F 8.31 5.12 0.00 2.98 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 58 S 8.37 4.95 0.00 3.83 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 59 S 8.12 3.76 0.00 3.85 3.23 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 *65 L 7.56 3.97 0.00 1.62 1.31 1.11 0.73 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 66 K 8.08 4.64 0.00 1.49 1.50 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.43 7.81 67 W 8.65 5.25 0.00 1.90 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 68 C 8.74 4.62 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 69 L 8.60 5.25 0.00 1.07 1.61 1.11 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 70 R 9.12 5.41 0.00 1.82 1.88 0.00 3.02 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 71 V 9.42 5.06 2.25 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 0.98 0.00 0.00 1.12 0.00 0.00 72 N 9.18 5.42 0.00 2.88 3.02 0.00 0.00 6.90 7.76 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 73 P 0.00 4.59 0.00 2.02 2.06 0.00 3.69 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 2.19 2.23 0.00 74 K 8.10 4.60 0.00 1.81 1.80 0.00 1.84 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.40 7.81 75 G 7.79 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 76 L 8.49 4.05 0.00 1.97 1.81 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.24 4.66 0.00 2.95 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 78 E 8.96 3.96 0.00 1.96 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 2.33 2.42 0.00 79 E 7.85 4.24 0.00 2.02 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 2.35 2.50 0.00 80 S 8.46 4.89 0.00 4.13 4.14 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 81 K 8.60 4.63 0.00 1.80 1.78 0.00 1.69 0.00 0.00 2.41 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 0.97 7.81 82 D 8.23 4.75 0.00 2.56 2.88 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 83 Y 8.22 5.28 0.00 3.09 2.94 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 84 L 9.07 4.79 0.00 1.90 1.84 1.16 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 85 S 9.01 5.51 0.00 4.27 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 86 L 8.60 5.15 0.00 1.51 1.13 0.86 -0.13 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 87 Y 9.16 5.20 0.00 2.87 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 88 L 9.14 5.05 0.00 1.89 1.64 1.05 -0.03 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 89 L 9.08 5.34 0.00 1.75 1.60 0.88 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.72 3.73 0.00 1.26 1.55 -0.55 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.30 3.68 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 0.66 0.00 0.00 0.75 0.00 0.00 92 S 7.45 4.35 0.00 3.67 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 93 C 8.13 4.33 0.00 3.03 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 94 P 0.00 4.54 0.00 2.43 1.97 0.00 3.75 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 1.97 1.95 0.00 95 K 8.43 4.21 0.00 1.76 1.90 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.40 7.81 96 S 7.58 4.79 0.00 3.93 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 97 E 8.77 3.97 0.00 2.02 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 2.36 2.34 0.00 98 V 8.54 4.53 2.46 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 1.44 0.00 0.00 1.10 0.00 0.00 99 R 8.61 5.48 0.00 1.92 1.85 0.00 3.15 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 100 A 9.59 5.29 1.35 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 0.00 101 K 8.85 4.85 0.00 1.69 1.61 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.35 7.81 102 F 8.13 5.38 0.00 2.79 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 0.00 103 K 8.96 4.90 0.00 1.74 1.60 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.55 7.81 104 F 9.20 5.87 0.00 2.93 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 0.00 105 S 9.51 5.33 0.00 4.10 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 0.00 106 I 8.80 5.01 1.94 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 1.40 0.96 0.93 0.00 0.00 107 L 8.74 4.92 0.00 1.47 1.53 0.68 1.15 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 0.00 108 N 8.73 4.66 0.00 2.94 2.98 0.00 0.00 6.54 6.62 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 0.00 109 A 8.43 3.95 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 0.00 110 K 8.18 4.17 0.00 1.87 1.83 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.38 1.40 7.81 111 G 8.22 3.84 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 0.00 0.00 0.00 112 E 8.22 4.34 0.00 2.04 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 2.28 2.25 0.00 113 E 8.62 4.50 0.00 1.88 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 0.00 2.40 2.27 0.00 114 T 8.81 4.60 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 1.28 0.00 0.00 115 K 8.62 3.77 0.00 1.80 1.59 0.00 1.49 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.33 1.23 7.81 116 A 7.85 4.66 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 0.00 117 M 9.46 4.57 0.00 1.76 1.75 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.81 0.00 118 E 8.51 5.13 0.00 1.91 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 2.04 2.27 0.00 119 S 8.46 4.17 0.00 3.66 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 0.00 120 Q 8.67 3.89 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 121 R 6.90 4.47 0.00 1.66 1.69 0.00 2.64 0.00 0.00 2.95 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.59 0.00 122 A 8.32 4.34 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 0.00 123 Y 8.96 4.14 0.00 2.51 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 0.00 124 R 8.48 4.69 0.00 1.87 1.98 0.00 3.61 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 125 F 9.48 5.01 0.00 3.13 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 0.00 126 V 8.31 4.34 2.09 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 0.89 0.00 0.00 0.94 0.00 0.00 127 Q 8.34 4.11 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.85 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 128 G 9.05 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 0.00 129 K 7.96 4.43 0.00 1.83 1.81 0.00 0.98 0.00 0.00 1.43 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 0.77 7.81 130 D 8.23 5.71 0.00 2.85 2.56 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 0.00 131 W 8.95 5.10 0.00 2.97 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 0.00 132 G 7.92 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 0.00 133 F 7.97 4.90 0.00 3.24 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 0.00 134 K 9.04 4.13 0.00 2.02 2.18 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.49 7.81 135 K 7.62 4.37 0.00 1.37 0.74 0.00 1.47 0.00 0.00 0.87 0.00 0.00 2.87 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.46 1.11 7.81 136 F 9.18 4.53 0.00 3.14 3.43 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 0.00 137 I 7.47 4.44 1.23 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.03 0.94 0.00 0.00 138 R 8.44 3.97 0.00 1.87 1.73 0.00 3.14 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.56 0.00 139 R 8.87 4.10 0.00 1.92 1.99 0.00 3.37 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 140 G 7.95 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 0.00 0.00 0.00 141 F 7.97 4.21 0.00 3.13 3.19 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 0.00 142 L 7.94 3.97 0.00 1.76 1.88 0.85 0.49 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 0.00 143 L 8.17 4.37 0.00 1.74 1.75 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 144 D 7.50 4.53 0.00 2.71 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 0.00 145 E 8.89 3.90 0.00 2.15 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 2.33 2.28 0.00 146 A 7.89 3.91 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 0.00 147 N 7.83 4.24 0.00 2.25 2.28 0.00 0.00 7.02 7.63 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 0.00 148 G 8.03 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 0.00 0.00 0.00 149 L 7.77 4.45 0.00 1.59 1.69 1.15 0.97 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 0.00 150 L 7.48 5.27 0.00 1.63 1.56 1.06 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 151 P 0.00 4.41 0.00 2.18 2.16 0.00 4.02 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 2.03 1.96 0.00 152 D 9.52 4.44 0.00 2.79 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 0.00 153 D 8.19 4.45 0.00 2.90 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 0.00 154 K 7.88 4.78 0.00 1.80 1.63 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.50 7.81 155 L 8.67 4.49 0.00 1.19 1.19 0.69 0.20 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 0.00 156 T 8.40 4.93 4.21 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 1.20 0.00 0.00 157 L 8.94 5.15 0.00 1.67 1.60 0.72 0.67 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 0.00 158 F 9.42 5.38 0.00 3.03 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 0.00 159 C 8.64 5.29 0.00 3.03 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 0.00 160 E 9.02 4.67 0.00 1.79 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 0.00 2.00 1.72 0.00 161 V 8.10 4.37 0.67 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 0.16 0.00 0.00 0.30 0.00 0.00 162 S 8.97 4.92 0.00 3.83 3.67 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 0.00 163 V 8.96 4.83 2.41 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 1.16 0.00 0.00 1.24 0.00 0.00 164 V 8.79 4.95 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 0.95 0.00 0.00 0.96 0.00 0.00 165 Q 8.71 4.25 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.32 0.00 0.00 0.00 0.00 0.00 2.56 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.