NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.6260 0.0000 0.0000 62.2317 32.4142 176.6734 6 T 3.8864 8.8485 115.5744 61.1504 70.4821 173.6886 7 I 3.6648 8.3583 122.5812 64.7345 37.5518 179.4627 8 N 4.3586 8.2123 117.0071 56.4248 38.5267 176.8219 9 Q 3.9471 8.2525 119.9969 59.0194 28.5332 178.2291 10 L 3.5282 7.9705 119.6595 57.5074 41.3408 179.5266 11 V 3.7963 7.4241 117.2459 65.0802 31.6698 177.6580 12 R 4.2116 7.5519 116.9930 57.7097 30.3148 177.3837 13 K 4.3005 8.7028 116.4613 54.7320 34.4055 177.5610 14 G 3.9263 7.4419 107.6621 44.8447 0.0000 172.5528 15 R 4.6047 8.1919 116.3757 54.2329 32.5952 175.2211 16 E 4.5253 8.3476 120.4677 54.2588 30.8626 175.9563 17 K 4.1475 8.4460 126.1011 56.1334 32.8630 177.1426 18 V 3.8753 8.1734 122.7578 62.6890 32.2973 175.2398 19 R 4.6570 8.2161 123.2035 54.2039 32.7898 175.5335 20 K 4.2286 8.4290 121.0175 55.0206 32.8562 176.3990 21 K 4.1811 8.4820 126.0941 54.9854 32.1590 176.2299 22 S 4.1552 8.5962 121.9304 58.7026 62.7495 173.6574 23 K 4.3629 8.4821 125.4944 56.0163 32.0482 177.2661 24 V 4.1408 7.2305 120.1865 61.7978 32.4397 172.8463 25 P 4.4440 0.0000 0.0000 61.4181 29.7323 177.1151 26 A 4.0768 7.6586 118.0240 51.1201 19.5456 176.5385 27 L 3.3658 7.4100 122.2376 54.8898 42.9441 173.9327 28 K 3.9526 9.6177 117.4871 56.6387 29.7468 175.0867 29 G 3.9689 8.3716 103.0724 46.0510 0.0000 174.1174 30 A 4.0922 8.1570 121.5057 51.6355 18.8542 177.2618 31 P 4.1457 0.0000 0.0000 64.8314 31.7513 176.8356 32 F 5.1851 7.6277 113.6137 55.9753 43.3073 174.4549 33 R 4.8445 9.0129 120.5121 55.1206 33.8907 174.0393 34 R 5.1389 8.5873 121.6397 55.1619 33.2055 174.9078 35 G 4.2655 8.6307 105.7868 46.0990 0.0000 171.8147 36 V 4.7624 7.9779 118.5352 61.1446 34.1218 175.7249 37 C 4.8581 8.6012 123.3193 60.4882 28.8314 172.5629 38 T 4.4939 9.0883 114.9230 64.7934 70.2316 174.6604 39 V 4.4258 7.6774 119.6095 60.9606 35.4927 173.8559 40 V 4.6129 8.0408 123.8160 59.9899 30.7627 174.4442 41 R 4.3293 7.9864 124.4756 55.4433 32.5578 175.0435 42 T 4.7429 8.3746 119.0492 60.7583 67.7231 173.7121 43 V 4.2660 8.7975 130.0824 62.1908 33.2053 175.1735 44 T 5.3301 8.6592 116.5832 59.6026 70.8486 172.2555 45 P 5.0197 0.0000 0.0000 61.0189 34.1361 173.1381 46 K 4.6799 8.0173 117.8718 56.7140 34.4200 177.4177 47 K 3.5633 8.0352 114.9969 56.5137 33.7611 173.3312 48 P 4.8906 0.0000 0.0000 62.2293 32.5625 174.3882 49 N 5.0462 8.3236 116.0462 52.1672 41.2286 175.1305 50 S 4.3615 8.1380 114.2837 57.3004 63.2864 172.4740 51 A 4.7865 8.0798 128.8192 50.3787 22.9920 175.7504 52 L 4.9686 8.0892 117.1552 52.9699 41.1484 177.4484 53 R 4.1764 8.1754 118.3465 56.7709 32.0288 177.9706 54 K 4.3809 8.8586 124.4783 56.4968 33.3655 176.6155 55 V 4.8747 8.7593 124.4698 61.7277 36.1884 173.4278 56 A 4.9825 8.2076 119.8388 51.0101 23.0346 175.9886 57 K 4.5264 9.0585 122.7147 56.0679 33.8087 176.3497 58 V 4.7709 9.3830 124.8644 61.2274 35.1114 174.4096 59 R 4.7312 9.3167 129.4191 54.9025 30.1374 175.5355 60 L 4.7786 9.1440 126.9101 54.3824 42.5738 178.6461 61 T 3.9564 8.5428 111.6900 64.4680 68.8895 175.9504 62 S 4.2430 7.9630 114.5140 59.1401 62.9715 173.7409 63 G 4.2006 8.1970 110.2640 45.9003 0.0000 174.1277 64 Y 4.1268 7.6931 116.3581 57.8696 39.1238 175.2542 65 E 5.5683 8.4818 120.6476 53.8052 29.4304 175.1460 66 V 4.4053 7.6560 117.0499 60.1208 35.2005 174.4174 67 T 5.2040 8.4571 114.5732 60.9864 69.9067 173.0459 68 A 5.2356 8.5924 126.8072 50.6409 23.3745 174.6078 69 Y 4.5631 8.6112 121.0245 56.9806 40.7643 174.8003 70 I 4.1308 7.1163 127.0083 58.7559 37.8247 173.9958 71 P 4.1825 0.0000 0.0000 62.7478 32.1715 175.9098 72 G 4.2164 8.6687 105.7725 44.6497 0.0000 174.0525 73 E 4.1513 8.7915 118.6674 58.8678 29.7576 177.4473 74 G 4.2145 7.5798 104.8690 44.9981 0.0000 171.0135 75 H 4.9887 8.3099 114.6477 54.1634 31.9841 172.4581 76 N 5.0041 8.4167 114.1725 52.1890 37.1050 174.5273 77 L 4.6640 7.8515 117.1179 54.1650 44.0026 176.6147 78 Q 4.8860 8.5922 124.6257 54.1975 31.4285 174.5968 79 E 4.0214 8.8302 118.1283 59.6648 29.7459 178.1452 80 H 4.9946 7.8385 113.3285 55.5542 29.5271 175.0623 81 S 4.0917 8.1479 116.2179 61.9462 63.3143 175.4053 82 V 3.8148 9.0720 117.8064 63.3263 31.7811 169.8975 83 V 4.7478 8.0316 123.6038 61.5684 35.3089 170.3796 84 L 5.2320 8.3082 122.5246 53.4789 44.5659 174.7157 85 I 5.0473 9.3203 127.8775 60.0623 38.9433 176.3513 86 R 4.2728 9.7861 123.0254 55.7995 31.5127 176.4811 87 G 3.8808 9.2428 108.3936 46.4060 0.0000 172.9278 88 G 4.0642 8.3084 111.8571 44.5863 0.0000 172.5207 89 R 4.0062 8.5940 122.6699 56.4554 29.4290 176.2287 90 V 4.0554 7.8019 114.4232 61.4944 32.8663 175.1911 91 K 4.2010 8.1332 123.5494 57.9115 31.0189 176.3785 92 D 4.5485 7.6012 116.2253 55.0478 41.6469 176.0114 93 L 4.6401 7.3108 120.1442 51.4754 40.9432 171.9298 94 P 4.3936 0.0000 0.0000 63.5908 31.9474 175.0772 95 G 3.9139 9.0197 115.5113 46.1199 0.0000 174.3492 96 V 3.9555 7.7215 120.9796 62.3652 31.7175 176.1913 97 R 4.5827 7.9696 127.7905 55.2850 31.7602 174.2473 98 Y 4.9878 7.6586 112.2266 57.6876 42.5411 173.3442 99 H 5.2769 9.0492 117.8950 54.1834 32.6369 173.0343 100 I 4.4599 8.1899 122.1557 60.5061 38.4604 175.9138 101 V 4.0720 8.7612 127.5932 61.3735 32.0745 175.7571 102 R 3.9590 8.3844 127.5686 57.4562 30.5209 177.4846 103 G 3.9086 8.5016 110.0070 44.9460 0.0000 173.5869 104 V 3.8410 6.9180 119.4592 62.0199 33.2770 176.4452 105 Y 3.7847 7.9497 124.4865 58.2750 36.6511 170.8294 106 D 4.3597 7.8123 119.9144 56.5636 41.2671 176.2033 107 A 4.4432 8.6799 124.2861 50.3761 19.6047 177.5982 108 A 4.2968 9.2548 127.2124 51.7228 19.8131 176.0547 109 G 4.0897 8.1015 106.2350 44.8353 0.0000 172.8711 110 V 4.3873 7.5787 119.9259 61.2616 32.1859 176.4380 111 K 4.1304 8.5961 127.9240 57.1185 32.8662 176.9811 112 D 4.6134 8.9211 122.3030 54.6703 37.8239 174.1807 113 R 4.3553 7.7579 118.5079 55.1011 30.4966 176.0847 114 K 4.5750 8.4131 121.9506 56.9120 35.6962 177.2618 115 K 4.7466 7.3705 122.2431 55.1334 30.5569 180.4307 116 S 4.1956 8.7620 125.0499 60.2133 62.4532 173.9139 117 R 4.8995 8.3368 119.8642 54.7109 32.9935 177.1162 118 S 4.1013 8.3838 112.1741 60.7636 62.6717 174.4522 119 K 4.4285 7.9819 118.4432 56.8013 33.3981 177.1661 120 Y 3.6104 8.4233 117.9460 57.1565 35.9950 168.8241 121 G 4.2156 7.9817 103.2890 46.4047 0.0000 170.6035 122 T 4.8141 8.1670 110.8579 59.6730 71.9323 175.4392 123 K 4.0982 8.5791 125.0170 55.6346 32.8094 176.6450 124 K 3.6970 8.5564 122.3642 56.2070 32.3322 174.1736 125 P 4.2053 0.0000 0.0000 62.9907 31.5794 177.9538 126 K 4.3572 8.3817 128.4524 56.3459 30.6948 178.1544 127 E 4.4442 7.9405 114.4639 56.8873 29.8182 177.2485 128 A 4.4752 7.4651 121.4583 52.8377 19.4088 178.0105 129 A 4.6057 7.6728 120.5056 52.9913 19.5659 177.8306 *130 K 4.1283 7.9335 127.0242 55.0521 32.4811 177.8616 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 5 P 0.00 4.63 0.00 2.06 2.09 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 6 T 8.85 3.89 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 1.27 0.00 0.00 7 I 8.36 3.66 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.03 0.91 0.00 0.00 8 N 8.21 4.36 0.00 2.83 2.82 0.00 0.00 7.15 6.72 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 9 Q 8.25 3.95 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.52 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 10 L 7.97 3.53 0.00 1.89 1.74 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.42 3.80 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 0.84 0.00 0.00 0.99 0.00 0.00 12 R 7.55 4.21 0.00 1.91 1.96 0.00 3.16 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 13 K 8.70 4.30 0.00 1.65 1.81 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.34 7.81 14 G 7.44 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 15 R 8.19 4.60 0.00 1.78 1.83 0.00 3.36 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 16 E 8.35 4.53 0.00 1.91 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 2.21 2.30 0.00 17 K 8.45 4.15 0.00 1.78 1.73 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.37 7.81 18 V 8.17 3.88 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 0.79 0.00 0.00 0.93 0.00 0.00 19 R 8.22 4.66 0.00 1.80 1.78 0.00 3.25 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 20 K 8.43 4.23 0.00 1.73 1.74 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.40 7.81 21 K 8.48 4.18 0.00 1.69 1.72 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.47 7.81 22 S 8.60 4.16 0.00 3.86 3.75 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 23 K 8.48 4.36 0.00 1.71 1.72 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.53 7.81 24 V 7.23 4.14 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 0.97 0.00 0.00 0.71 0.00 0.00 25 P 0.00 4.44 0.00 1.95 1.78 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 26 A 7.66 4.08 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 27 L 7.41 3.37 0.00 1.78 1.52 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.62 3.95 0.00 1.85 1.81 0.00 1.96 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.42 7.81 29 G 8.37 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 0.00 0.00 0.00 30 A 8.16 4.09 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 31 P 0.00 4.15 0.00 1.83 1.84 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 32 F 7.63 5.19 0.00 2.91 2.91 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 33 R 9.01 4.84 0.00 1.88 1.65 0.00 3.10 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 34 R 8.59 5.14 0.00 2.09 2.27 0.00 2.85 0.00 0.00 2.89 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 35 G 8.63 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 36 V 7.98 4.76 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 1.01 0.00 0.00 0.90 0.00 0.00 37 C 8.60 4.86 0.00 3.16 2.86 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 38 T 9.09 4.49 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 39 V 7.68 4.43 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 0.99 0.00 0.00 0.94 0.00 0.00 40 V 8.04 4.61 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 1.34 0.00 0.00 0.99 0.00 0.00 41 R 7.99 4.33 0.00 1.95 1.78 0.00 3.23 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 42 T 8.37 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 1.23 0.00 0.00 43 V 8.80 4.27 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 0.93 0.00 0.00 0.97 0.00 0.00 44 T 8.66 5.33 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 45 P 0.00 5.02 0.00 2.07 2.09 0.00 3.31 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.83 0.00 46 K 8.02 4.68 0.00 1.90 1.96 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.36 7.81 47 K 8.04 3.56 0.00 1.77 1.67 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.34 1.46 7.81 48 P 0.00 4.89 0.00 2.16 2.06 0.00 3.88 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 1.85 1.93 0.00 49 N 8.32 5.05 0.00 2.66 2.73 0.00 0.00 6.59 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 50 S 8.14 4.36 0.00 3.77 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 51 A 8.08 4.79 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 52 L 8.09 4.97 0.00 1.65 1.65 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.18 4.18 0.00 2.09 2.16 0.00 3.25 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 54 K 8.86 4.38 0.00 1.56 1.54 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.52 7.81 55 V 8.76 4.87 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 1.13 0.00 0.00 1.12 0.00 0.00 56 A 8.21 4.98 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 9.06 4.53 0.00 1.75 1.76 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.54 7.81 58 V 9.38 4.77 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 1.03 0.00 0.00 0.95 0.00 0.00 59 R 9.32 4.73 0.00 1.89 1.82 0.00 3.14 0.00 0.00 3.40 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 60 L 9.14 4.78 0.00 1.67 1.59 0.85 0.62 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 61 T 8.54 3.96 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 1.28 0.00 0.00 62 S 7.96 4.24 0.00 3.99 3.99 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 0.00 0.00 0.00 63 G 8.20 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 0.00 0.00 0.00 0.00 64 Y 7.69 4.13 0.00 2.68 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 65 E 8.48 5.57 0.00 1.79 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 2.20 2.21 0.00 66 V 7.66 4.41 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 1.01 0.00 0.00 0.74 0.00 0.00 67 T 8.46 5.20 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 1.29 0.00 0.00 68 A 8.59 5.24 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 69 Y 8.61 4.56 0.00 2.97 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.12 4.13 1.44 0.00 0.00 0.52 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 0.67 0.70 0.00 0.00 71 P 0.00 4.18 0.00 1.83 2.05 0.00 3.58 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 1.79 1.86 0.00 72 G 8.67 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 0.00 0.00 0.00 0.00 73 E 8.79 4.15 0.00 1.99 2.05 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 2.33 2.40 0.00 74 G 7.58 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 0.00 0.00 0.00 0.00 75 H 8.31 4.99 0.00 3.20 3.19 0.00 5.47 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 76 N 8.42 5.00 0.00 2.78 2.84 0.00 0.00 5.89 7.79 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 77 L 7.85 4.66 0.00 1.77 1.67 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.59 4.89 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 79 E 8.83 4.02 0.00 1.84 1.80 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 1.95 2.49 0.00 80 H 7.84 4.99 0.00 3.14 3.22 0.00 5.81 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.15 4.09 0.00 3.87 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 82 V 9.07 3.81 2.05 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 0.67 0.00 0.00 0.93 0.00 0.00 83 V 8.03 4.75 2.16 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 0.56 0.00 0.00 1.00 0.00 0.00 84 L 8.31 5.23 0.00 1.87 1.45 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 85 I 9.32 5.05 2.01 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.49 0.94 0.00 0.00 86 R 9.79 4.27 0.00 1.95 2.41 0.00 3.16 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 87 G 9.24 3.88 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 0.00 0.00 0.00 88 G 8.31 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 89 R 8.59 4.01 0.00 1.84 1.91 0.00 2.92 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 90 V 7.80 4.06 1.92 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 0.44 0.00 0.00 0.72 0.00 0.00 91 K 8.13 4.20 0.00 1.87 1.88 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.47 7.81 92 D 7.60 4.55 0.00 2.65 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 93 L 7.31 4.64 0.00 1.59 1.56 0.77 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.39 0.00 2.03 2.01 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 95 G 9.02 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 96 V 7.72 3.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.97 0.00 0.00 97 R 7.97 4.58 0.00 1.02 1.48 0.00 3.15 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.70 0.00 98 Y 7.66 4.99 0.00 2.96 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 99 H 9.05 5.28 0.00 3.17 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.19 4.46 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.71 0.92 0.00 0.00 101 V 8.76 4.07 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 0.83 0.00 0.00 1.08 0.00 0.00 102 R 8.38 3.96 0.00 1.84 2.02 0.00 3.45 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 103 G 8.50 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 0.00 104 V 6.92 3.84 1.92 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 -0.37 0.00 0.00 0.63 0.00 0.00 105 Y 7.95 3.78 0.00 3.26 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 0.00 106 D 7.81 4.36 0.00 2.99 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 0.00 107 A 8.68 4.44 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 9.25 4.30 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 0.00 109 G 8.10 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 0.00 0.00 0.00 110 V 7.58 4.39 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 0.86 0.00 0.00 1.20 0.00 0.00 111 K 8.60 4.13 0.00 1.69 1.72 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.48 7.81 112 D 8.92 4.61 0.00 2.83 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 0.00 113 R 7.76 4.36 0.00 2.02 1.81 0.00 3.24 0.00 0.00 3.01 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 114 K 8.41 4.57 0.00 1.67 1.79 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.38 7.81 115 K 7.37 4.75 0.00 1.64 0.83 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.35 7.81 116 S 8.76 4.20 0.00 3.66 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 0.00 117 R 8.34 4.90 0.00 1.80 2.02 0.00 3.42 0.00 0.00 3.29 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 118 S 8.38 4.10 0.00 3.85 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 7.98 4.43 0.00 2.35 1.76 0.00 1.95 0.00 0.00 1.92 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.56 7.81 120 Y 8.42 3.61 0.00 3.23 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 0.00 121 G 7.98 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 0.00 0.00 0.00 0.00 122 T 8.17 4.81 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 1.40 0.00 0.00 123 K 8.58 4.10 0.00 1.76 1.78 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.37 7.81 124 K 8.56 3.70 0.00 1.68 1.74 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.54 7.81 125 P 0.00 4.21 0.00 2.39 2.02 0.00 3.72 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 2.02 2.11 0.00 126 K 8.38 4.36 0.00 1.81 1.79 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.59 7.81 127 E 7.94 4.44 0.00 1.95 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 2.30 2.31 0.00 128 A 7.47 4.48 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 0.00 129 A 7.67 4.61 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 *130 K 7.93 4.13 0.00 1.54 1.64 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.