NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3400 8.3049 120.3435 55.0909 33.5120 175.0260 2 K 4.4547 8.3079 125.5066 55.3230 33.9942 174.1761 3 K 5.2313 10.3710 125.1202 54.8087 36.2630 174.5278 4 I 5.1538 9.0194 127.3057 59.4322 40.7139 174.0468 5 L 5.2237 8.9753 128.1667 53.2673 44.6987 174.5438 6 L 5.1326 9.2526 129.3146 53.8164 43.8197 174.8898 7 L 5.5641 9.4029 126.5097 53.0855 45.1607 175.2393 8 N 5.3795 9.2105 120.2699 51.7644 42.1600 175.0562 9 G 4.2719 9.1311 113.5729 43.7247 0.0000 170.8171 10 P 4.2947 0.0000 0.0000 64.5398 31.4228 176.6362 11 N 4.3962 9.5909 116.9009 53.8048 37.9503 176.3677 12 L 4.0708 7.4338 118.4003 57.1585 41.8015 178.6860 13 N 4.4784 7.9997 114.6572 54.9609 37.6395 175.4699 14 M 4.2789 8.0362 118.4420 55.5096 32.6319 176.1187 15 L 4.1513 7.6347 120.5951 56.2819 42.1158 178.6947 16 G 4.0768 8.6904 109.5466 46.1637 0.0000 174.3937 17 K 4.2214 7.8623 118.4744 58.4835 32.6922 178.6475 18 R 3.9309 7.9095 117.3732 58.9201 30.0972 177.7159 *25 S 4.3681 7.8352 109.6658 57.3322 65.1461 173.7500 26 Q 4.1262 7.9067 123.8077 56.5426 29.4353 175.3189 27 T 4.9048 8.4964 116.8467 58.9976 72.5172 175.4354 28 L 3.8283 8.1141 121.4457 58.2189 41.9316 178.5043 29 S 4.1519 7.7941 113.9697 60.7944 62.3026 175.6323 30 D 4.2838 7.8731 121.1824 57.4494 40.4963 178.9668 31 I 3.5801 7.3868 119.6926 64.2426 36.6258 178.2269 32 E 3.5853 8.0649 119.6999 59.5334 29.1446 179.5999 33 Q 3.9534 8.0210 118.1361 59.0099 28.7282 178.2508 34 H 4.0692 8.2668 119.3366 59.2471 29.8645 177.1162 35 L 3.8477 8.0443 122.2788 58.0560 41.8623 178.6503 36 Q 4.0130 8.2105 119.5549 59.4201 29.0465 178.2943 37 Q 3.9994 8.3048 119.2232 58.8639 28.5597 178.7420 38 S 4.0258 8.1964 114.0308 61.2202 62.4211 176.1070 39 A 4.0180 8.2119 123.5877 55.4193 18.1561 179.5843 40 Q 4.1765 8.6103 117.8142 58.5661 28.5818 178.9978 41 A 4.0915 8.0136 120.4327 54.2165 18.4370 178.5424 42 Q 4.5426 7.5000 114.2765 55.4199 29.2369 176.3281 43 G 3.7747 8.2334 108.4008 45.3062 0.0000 172.6724 44 Y 4.6786 8.0859 117.1710 55.6493 40.9320 174.8719 45 E 4.3454 8.9180 125.1272 55.9467 31.3505 175.1098 46 L 5.3063 8.3765 126.8578 53.8093 45.1689 174.9067 47 D 5.1546 9.1015 125.9727 52.8628 43.8609 174.8882 48 Y 5.5125 7.6210 117.4655 55.9209 41.5737 174.0384 49 F 5.0329 9.1591 121.1499 57.5876 43.4694 172.5806 50 Q 5.4298 7.5738 123.9143 54.2820 32.0057 173.3073 51 A 4.4395 8.2927 125.0688 51.0552 22.3301 175.4948 52 N 4.8207 8.7594 115.3804 52.9535 39.3121 175.8219 53 G 4.4994 7.7276 104.2497 42.1704 0.0000 173.7942 54 E 3.7950 8.6096 121.3048 58.9480 29.4442 179.2700 55 E 3.8472 8.1075 118.8330 59.4822 29.7854 178.8346 56 S 4.2075 8.1186 114.4928 61.7461 62.9935 176.6758 57 L 4.2014 7.9542 121.0425 57.9383 41.3428 179.6581 58 I 3.5866 8.2067 120.1469 64.3851 37.0115 178.2567 59 N 4.2035 8.3741 117.7012 56.2619 38.1079 177.4856 60 R 3.7973 7.5133 119.1725 59.1886 30.3162 178.3723 61 I 3.8333 7.7720 119.7310 64.7284 37.1077 178.0882 62 H 4.2514 8.2957 117.1471 59.0499 28.3002 177.8861 63 Q 4.1079 8.0937 118.4335 58.3099 28.7820 177.9033 64 A 4.5054 7.8858 122.4301 51.3939 18.7269 176.9675 65 F 4.4169 7.4260 119.8959 60.1276 39.6124 175.3990 66 Q 3.4534 8.6457 124.8465 56.1951 26.5618 173.3413 67 N 4.9721 8.2195 113.4249 51.9717 38.8380 173.9073 68 T 4.7413 7.8448 115.4070 62.1387 71.0726 173.3691 69 D 4.9042 8.9264 124.7753 55.0266 42.3687 176.3862 70 F 4.8305 7.8872 118.7688 57.1711 43.0582 172.5016 71 I 5.2263 8.6008 125.3453 59.6470 40.8812 174.4109 72 I 5.1787 8.9590 127.0292 59.6912 39.7578 174.4549 73 I 5.1299 9.1231 127.4599 59.2848 41.6171 173.4967 74 N 5.4342 9.1290 128.3799 50.5184 39.8467 173.0994 75 P 4.5780 0.0000 0.0000 62.5816 33.0087 178.1676 76 G 3.6963 8.5666 108.1131 46.0593 0.0000 176.1354 77 A 4.1436 8.3969 121.9103 55.0849 18.6860 179.4187 78 F 4.9514 7.7942 113.2312 59.5174 39.3891 177.4295 79 T 3.9477 8.0905 116.0011 65.0114 67.2318 175.2582 80 H 5.1538 8.2518 116.1547 56.0487 29.4232 175.8515 81 T 4.6894 8.0003 107.4556 61.2947 70.5157 173.1592 82 S 4.5959 8.4390 117.9556 56.8891 61.2340 174.2513 83 V 3.2938 7.6720 127.2884 65.0187 31.3352 177.2457 84 A 3.8767 7.6775 120.4130 55.2218 18.2257 179.5304 85 I 3.5954 7.8153 118.4464 64.1235 37.1229 178.4798 86 R 3.8484 7.6269 119.7182 59.8392 29.8928 178.4356 87 D 4.3759 8.2499 118.1392 56.9967 40.5772 178.7660 88 A 3.9652 7.8419 121.6326 55.1584 17.4091 179.6829 89 L 3.8894 7.9823 117.6279 57.8755 41.4603 179.8234 90 L 4.2082 8.0949 118.8418 57.5915 41.3310 179.2700 91 A 3.9438 7.9359 120.1536 54.7175 18.3947 179.1519 92 V 3.8525 7.4417 107.6824 60.4628 32.7043 176.0691 93 S 3.7648 7.5296 114.3175 59.9095 60.9665 172.4967 94 I 4.5098 7.0140 115.9296 58.5929 39.5620 174.6943 95 P 4.4734 0.0000 0.0000 62.7188 32.5016 175.2855 96 F 5.8531 7.9125 116.2874 54.8118 41.9754 172.8938 97 I 4.9146 8.7268 119.8887 59.5962 40.4028 174.0116 98 E 5.0288 8.9711 127.8405 55.1460 31.2614 174.8940 99 V 4.8202 8.6845 126.0803 61.4292 35.3956 173.8415 100 H 4.8943 8.8421 123.0826 54.1850 32.6741 174.2166 101 L 4.0424 8.8829 123.5456 57.8125 42.3339 177.9317 102 S 4.6268 7.9119 111.0639 56.9423 64.7035 173.2817 103 N 4.5912 8.3302 119.5873 52.4293 38.0419 175.9421 104 V 3.6353 8.1522 120.6581 64.4522 31.8461 178.2381 105 H 4.1101 8.1928 115.2736 57.2819 28.6464 175.7275 106 A 4.5596 7.8653 121.1483 51.8589 19.5431 177.1770 107 R 4.7764 7.0850 117.1612 54.9013 32.3557 175.8271 108 E 3.8967 8.1973 118.2850 56.7405 30.1823 176.1768 109 P 3.5428 0.0000 0.0000 65.3968 31.5161 178.6842 110 F 4.2835 7.6806 111.4650 58.9789 37.8784 175.8781 111 R 3.7897 7.0108 119.1857 56.7406 29.9872 176.6897 112 H 4.5409 8.0151 115.1279 56.6925 29.4526 174.5719 113 H 4.8811 8.0018 119.9605 54.0772 31.7540 172.7151 114 S 4.9351 7.9659 119.4274 56.9917 65.1294 173.0332 115 Y 4.6592 9.1359 124.1765 58.4326 38.2624 175.9642 116 L 4.8365 7.8167 120.2384 55.9416 44.4386 178.5301 117 S 4.2475 8.5512 115.3192 61.7949 62.8366 176.5558 118 D 4.4097 8.1572 117.1414 55.2934 39.3376 176.9986 119 V 4.1988 7.6992 111.0828 60.8527 32.5679 175.7612 120 A 2.7268 7.2664 123.2577 50.7773 19.0831 177.7458 121 K 3.9836 8.2391 122.6544 59.4767 32.9558 176.9142 122 G 4.0391 7.3342 104.4375 45.4724 0.0000 172.1306 123 V 5.1046 8.1141 118.8114 61.0169 35.0117 174.4950 124 I 4.6149 8.8128 127.3716 59.6870 40.2872 174.0051 125 C 5.0923 8.5458 126.6632 58.6182 34.4787 174.1243 126 G 3.9326 8.9182 113.0155 45.9133 0.0000 173.6564 127 L 4.4781 7.8255 117.4040 53.6870 42.5355 178.5620 128 G 3.8314 8.1407 108.9823 45.5585 0.0000 174.5726 129 A 4.2709 8.5792 118.9853 55.3288 18.3160 180.0252 130 K 3.9380 8.1681 116.5901 59.2793 31.9841 179.2866 131 G 3.6233 8.0348 106.3161 48.0363 0.0000 175.3694 132 Y 4.1716 7.9468 118.9127 60.8634 37.7658 178.2435 133 D 4.3477 7.8552 119.4127 57.6342 40.9293 178.2910 134 Y 4.3717 7.6206 116.9914 60.9906 37.8282 178.3664 135 A 4.0667 8.2313 121.8039 55.0675 18.4233 179.4606 136 L 3.8293 8.2429 119.0174 58.2962 42.1362 178.5291 137 D 4.2674 8.3573 118.2139 57.3652 41.0432 178.1248 138 F 3.9891 8.7407 122.2271 60.5512 39.4266 176.7770 139 A 2.7250 7.7590 120.3541 54.9665 17.9775 179.7490 140 I 3.0391 7.5747 118.6200 64.1698 36.5828 178.7755 141 S 4.1692 8.0744 115.5322 61.4353 62.6550 176.5401 142 E 3.7273 7.8112 122.1680 59.1569 29.1469 179.3797 143 L 4.0763 7.8077 118.9056 57.8564 41.6272 179.6631 144 Q 4.4288 8.3708 119.9229 58.2703 28.5820 178.8851 145 K 4.0039 7.8683 119.5630 59.3703 32.1010 179.4455 146 I 3.7184 7.7071 120.0417 64.4331 36.9181 178.4418 147 Q 4.0026 8.3664 119.0975 59.0744 28.6310 178.8204 148 L 4.0718 8.1436 121.3470 57.9924 42.1757 179.2191 149 G 3.6283 8.2882 105.9205 47.8366 0.0000 175.6189 150 E 4.0469 8.0660 120.0829 59.1087 29.4791 178.8803 151 M 4.1749 7.6640 117.5595 58.9491 32.5368 177.8745 152 M 4.3526 7.8801 115.9832 55.7302 32.3289 176.0535 153 N 4.4804 7.3810 117.7400 52.2100 39.3680 175.4440 *154 G 3.7274 8.6173 111.4641 45.8078 0.0000 172.1642 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 M 8.30 4.34 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 2 K 8.31 4.45 0.00 2.15 1.93 0.00 1.88 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.60 1.64 7.81 3 K 10.37 5.23 0.00 1.82 1.78 0.00 1.61 0.00 0.00 1.91 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.43 7.81 4 I 9.02 5.15 1.96 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.94 1.04 0.00 0.00 5 L 8.98 5.22 0.00 1.81 1.59 1.04 0.45 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 6 L 9.25 5.13 0.00 1.89 1.81 1.12 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.40 5.56 0.00 1.66 1.65 0.96 0.66 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 8 N 9.21 5.38 0.00 2.61 2.68 0.00 0.00 6.57 7.13 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 9 G 9.13 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 0.00 0.00 0.00 0.00 10 P 0.00 4.29 0.00 1.83 1.64 0.00 3.84 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.44 0.00 11 N 9.59 4.40 0.00 2.87 2.98 0.00 0.00 6.88 6.28 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 12 L 7.43 4.07 0.00 1.80 1.71 0.99 0.52 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 13 N 8.00 4.48 0.00 2.76 3.09 0.00 0.00 6.06 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 14 M 8.04 4.28 0.00 2.06 2.27 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 15 L 7.63 4.15 0.00 1.72 1.59 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.69 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 17 K 7.86 4.22 0.00 1.86 1.86 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.70 1.53 7.81 18 R 7.91 3.93 0.00 1.79 1.99 0.00 3.24 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 *25 S 7.84 4.37 0.00 3.99 4.02 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 26 Q 7.91 4.13 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 27 T 8.50 4.90 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 1.18 0.00 0.00 28 L 8.11 3.83 0.00 1.89 1.62 0.79 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.79 4.15 0.00 3.85 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 30 D 7.87 4.28 0.00 2.88 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 31 I 7.39 3.58 1.73 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 1.50 0.68 0.35 0.00 0.00 32 E 8.06 3.59 0.00 1.53 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 1.85 2.09 0.00 33 Q 8.02 3.95 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 34 H 8.27 4.07 0.00 3.25 3.47 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.04 3.85 0.00 1.91 1.62 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.21 4.01 0.00 2.46 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.66 0.00 37 Q 8.30 4.00 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 38 S 8.20 4.03 0.00 3.78 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 39 A 8.21 4.02 1.46 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 0.00 0.00 40 Q 8.61 4.18 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 41 A 8.01 4.09 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 42 Q 7.50 4.54 0.00 2.50 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.93 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 43 G 8.23 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 44 Y 8.09 4.68 0.00 3.04 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 45 E 8.92 4.35 0.00 2.10 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 2.33 2.28 0.00 46 L 8.38 5.31 0.00 1.72 1.56 1.04 1.35 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 47 D 9.10 5.15 0.00 2.65 2.48 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 48 Y 7.62 5.51 0.00 2.87 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 49 F 9.16 5.03 0.00 3.17 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 50 Q 7.57 5.43 0.00 1.94 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.51 0.00 0.00 0.00 0.00 0.00 2.27 2.07 0.00 51 A 8.29 4.44 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 52 N 8.76 4.82 0.00 2.72 2.81 0.00 0.00 6.64 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 53 G 7.73 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 54 E 8.61 3.79 0.00 1.82 1.78 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 1.56 1.47 0.00 55 E 8.11 3.85 0.00 2.02 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 2.37 2.39 0.00 56 S 8.12 4.21 0.00 4.09 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 57 L 7.95 4.20 0.00 1.79 1.81 1.26 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.21 3.59 1.83 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.58 0.63 0.00 0.00 59 N 8.37 4.20 0.00 2.82 2.79 0.00 0.00 6.68 7.73 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 60 R 7.51 3.80 0.00 0.93 1.76 0.00 3.09 0.00 0.00 2.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.47 0.00 61 I 7.77 3.83 1.93 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 1.48 0.54 0.88 0.00 0.00 62 H 8.30 4.25 0.00 3.29 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 63 Q 8.09 4.11 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 64 A 7.89 4.51 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 65 F 7.43 4.42 0.00 2.97 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 66 Q 8.65 3.45 0.00 1.81 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 1.59 1.16 0.00 67 N 8.22 4.97 0.00 2.89 2.94 0.00 0.00 6.74 7.31 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 68 T 7.84 4.74 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 1.36 0.00 0.00 69 D 8.93 4.90 0.00 2.74 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 70 F 7.89 4.83 0.00 3.13 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 71 I 8.60 5.23 1.98 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 1.32 0.95 1.04 0.00 0.00 72 I 8.96 5.18 2.08 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 1.34 0.91 1.16 0.00 0.00 73 I 9.12 5.13 1.93 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 1.26 1.94 1.02 0.00 0.00 74 N 9.13 5.43 0.00 2.86 3.07 0.00 0.00 7.09 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 75 P 0.00 4.58 0.00 2.43 2.19 0.00 3.82 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.14 0.00 76 G 8.57 3.70 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 0.00 77 A 8.40 4.14 1.26 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 0.00 0.00 0.00 78 F 7.79 4.95 0.00 3.33 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 79 T 8.09 3.95 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 0.87 0.00 0.00 80 H 8.25 5.15 0.00 3.40 3.47 0.00 5.61 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.00 4.69 4.36 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 1.35 0.00 0.00 82 S 8.44 4.60 0.00 3.59 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 83 V 7.67 3.29 1.79 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 0.80 0.00 0.00 -0.07 0.00 0.00 84 A 7.68 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 85 I 7.82 3.60 1.80 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 1.31 0.36 0.84 0.00 0.00 86 R 7.63 3.85 0.00 1.99 2.15 0.00 3.27 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 87 D 8.25 4.38 0.00 2.81 2.66 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 88 A 7.84 3.97 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 89 L 7.98 3.89 0.00 1.66 1.47 -0.01 0.19 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 90 L 8.09 4.21 0.00 1.85 1.73 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.94 3.94 1.26 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 0.00 0.00 0.00 92 V 7.44 3.85 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 0.83 0.00 0.00 1.06 0.00 0.00 93 S 7.53 3.76 0.00 4.04 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 94 I 7.01 4.51 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.94 0.92 0.00 0.00 95 P 0.00 4.47 0.00 1.30 1.75 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 96 F 7.91 5.85 0.00 3.14 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 97 I 8.73 4.91 2.13 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 1.28 1.22 1.00 0.00 0.00 98 E 8.97 5.03 0.00 2.28 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 2.23 2.33 0.00 99 V 8.68 4.82 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 0.23 0.00 0.00 0.83 0.00 0.00 100 H 8.84 4.89 0.00 3.05 3.09 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.88 4.04 0.00 1.63 1.73 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.91 4.63 0.00 3.96 3.87 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 0.00 103 N 8.33 4.59 0.00 2.74 2.75 0.00 0.00 6.88 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 0.00 104 V 8.15 3.64 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 0.60 0.00 0.00 0.63 0.00 0.00 105 H 8.19 4.11 0.00 3.24 3.22 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.87 4.56 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 0.00 107 R 7.08 4.78 0.00 1.59 1.72 0.00 3.14 0.00 0.00 3.15 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 108 E 8.20 3.90 0.00 1.16 1.31 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 2.35 2.27 0.00 109 P 0.00 3.54 0.00 2.10 2.00 0.00 3.48 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 110 F 7.68 4.28 0.00 3.00 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 0.00 111 R 7.01 3.79 0.00 1.65 1.81 0.00 2.90 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.50 0.00 112 H 8.02 4.54 0.00 3.20 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.00 4.88 0.00 3.11 3.07 0.00 5.61 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.97 4.94 0.00 3.84 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 0.00 115 Y 9.14 4.66 0.00 3.08 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 0.00 116 L 7.82 4.84 0.00 1.86 1.98 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.55 4.25 0.00 3.89 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 0.00 118 D 8.16 4.41 0.00 2.79 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 0.00 119 V 7.70 4.20 2.20 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 0.77 0.00 0.00 1.23 0.00 0.00 120 A 7.27 2.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.24 3.98 0.00 1.63 1.95 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.49 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.86 1.40 7.81 122 G 7.33 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 0.00 123 V 8.11 5.10 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 0.98 0.00 0.00 124 I 8.81 4.61 1.85 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.71 0.97 0.00 0.00 125 C 8.55 5.09 0.00 2.95 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 0.00 126 G 8.92 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 0.00 127 L 7.83 4.48 0.00 1.72 1.83 1.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.14 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 0.00 129 A 8.58 4.27 1.36 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 0.00 0.00 130 K 8.17 3.94 0.00 1.84 1.30 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.48 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.43 7.81 131 G 8.03 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 0.00 0.00 0.00 132 Y 7.95 4.17 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 0.00 133 D 7.86 4.35 0.00 2.49 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 0.00 134 Y 7.62 4.37 0.00 3.14 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 0.00 135 A 8.23 4.07 1.47 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 0.00 0.00 0.00 136 L 8.24 3.83 0.00 1.79 1.86 0.87 1.31 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 0.00 137 D 8.36 4.27 0.00 2.89 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 0.00 138 F 8.74 3.99 0.00 3.24 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 0.00 139 A 7.76 2.72 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 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.57 3.04 1.60 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.31 0.66 0.00 0.00 141 S 8.07 4.17 0.00 3.86 4.07 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 0.00 142 E 7.81 3.73 0.00 1.91 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 1.47 2.17 0.00 143 L 7.81 4.08 0.00 1.74 1.87 0.86 0.97 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 0.00 144 Q 8.37 4.43 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 145 K 7.87 4.00 0.00 1.87 1.83 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.67 7.81 146 I 7.71 3.72 2.06 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 1.54 1.02 0.94 0.00 0.00 147 Q 8.37 4.00 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 148 L 8.14 4.07 0.00 1.77 1.66 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.29 3.63 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 0.00 0.00 0.00 150 E 8.07 4.05 0.00 2.12 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 2.35 2.63 0.00 151 M 7.66 4.17 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 152 M 7.88 4.35 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.57 0.00 153 N 7.38 4.48 0.00 2.89 2.76 0.00 0.00 6.87 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 *154 G 8.62 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 * Residues marked with a * may have inaccurate shift predictions.