NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 L 4.2544 8.0433 120.6334 54.4357 42.9566 180.5206 -3 Y 3.8659 9.0172 126.7975 60.9258 37.5256 175.5735 -2 F 4.7499 8.4863 117.7028 57.8627 40.4006 176.7828 -1 Q 4.2352 7.9383 121.4033 58.3177 28.0278 182.3757 0 G 3.9495 7.7388 108.1277 44.8407 0.0000 171.8311 -2 H 4.8599 8.6063 115.6028 55.1627 29.8006 175.0828 -1 P 4.3152 0.0000 0.0000 65.9177 30.7278 183.6757 0 T 4.3395 7.5588 112.9277 61.5407 67.2944 171.6311 5 I 3.5136 7.3656 120.0899 63.9289 36.8827 177.7991 6 A 4.0451 7.6285 121.1204 54.9328 17.8733 181.1536 7 R 4.7129 7.6526 116.4288 56.4596 29.9316 178.4666 *9 Q 4.4053 8.0951 116.7029 55.4952 30.5857 177.7549 10 E 4.1131 7.6369 114.2139 58.5758 29.3601 178.3357 11 V 4.0405 7.3387 117.5341 64.7817 32.3086 177.8289 12 V 3.4907 7.7550 117.2357 65.7539 31.1616 177.3071 13 A 3.3299 7.2353 119.7697 55.3132 18.3562 179.7267 14 K 4.0294 8.0251 114.6434 57.1437 32.1894 177.5216 15 G 3.6368 7.2992 106.5592 46.5650 0.0000 174.0006 16 D 4.4638 7.3612 120.2036 52.6806 41.3776 175.2432 17 E 3.8207 8.6378 128.8753 59.4017 29.7951 178.5637 18 S 4.1727 8.0870 113.6346 61.6682 62.7529 176.3687 19 L 3.9711 7.7493 120.9903 57.1555 41.7348 179.0344 20 I 3.8331 7.7406 120.0833 64.4043 37.1236 177.4709 21 H 3.8895 8.1377 119.0590 59.6338 29.3843 176.9490 22 A 4.0991 7.2957 117.9550 54.5772 18.4678 178.6552 23 L 4.2455 7.9622 116.1604 54.5380 42.1793 176.1715 24 L 4.9201 7.0887 119.0701 52.6834 43.4916 176.3422 25 A 4.1422 8.7804 124.9748 51.8454 19.4227 177.8776 26 E 3.9313 9.1021 121.5220 58.4165 30.7699 177.9434 27 D 5.4609 7.7954 117.5377 52.4915 40.1756 177.2114 28 V 3.9828 7.8568 118.9869 63.6611 32.7649 174.8677 29 R 5.0245 8.9977 122.5037 54.8391 32.3832 175.3344 30 F 6.1750 9.6679 127.3144 54.9863 42.8479 172.1921 *32 P 4.1666 0.0000 0.0000 61.6633 31.8794 174.7207 33 P 4.6135 0.0000 0.0000 64.1754 31.1284 177.2119 34 T 3.9345 7.2797 109.9710 62.5102 69.5581 173.6882 35 Y 4.8390 7.3081 121.9525 55.8408 40.5606 176.0078 36 Y 4.5427 8.4464 124.8707 56.3155 37.3368 173.3582 37 K 4.6935 7.3775 120.5682 54.8681 37.2206 175.9160 38 T 4.8164 8.7192 115.6440 61.9099 72.5306 173.4541 39 W 5.1414 9.4867 126.9428 55.8465 31.0092 175.3956 40 T 5.0724 8.8408 121.6012 62.4564 70.8029 174.0297 41 G 4.1423 9.0769 115.0471 44.5188 0.0000 175.0795 42 R 3.8076 8.6886 120.4765 59.2811 29.2013 179.0452 43 D 4.2427 7.9225 119.2590 56.5556 40.9752 176.8064 44 P 2.9700 0.0000 0.0000 65.3627 31.1345 178.5352 45 V 3.2177 7.7177 117.7668 65.5118 31.3875 177.8159 46 A 3.7543 7.8383 120.2812 54.9872 18.2513 179.4539 47 A 4.0604 7.3773 120.2715 54.6654 18.4513 180.0462 48 V 3.2500 7.4592 116.6436 66.0988 31.5117 178.2641 49 L 3.5881 7.6350 119.1328 57.3405 41.4280 179.6562 50 G 3.4905 7.9589 105.8152 48.2141 0.0000 175.4639 51 H 4.1220 7.8344 118.6783 58.2729 28.6832 178.0726 52 V 3.2296 7.6522 120.1897 65.8439 31.0933 178.2407 53 G 3.4740 7.5884 104.0340 47.8689 0.0000 175.3338 54 Q 4.0847 7.5685 119.0279 58.6166 28.7972 178.6284 55 V 3.6557 7.3432 118.1060 65.1579 32.0405 176.7525 56 F 5.0119 7.3302 116.3172 57.6007 39.5180 174.6972 57 S 4.8158 8.6066 117.4437 57.1345 65.6918 173.2100 58 E 4.0029 8.6818 116.8873 57.3472 26.9441 174.2883 59 F 4.6478 8.2723 119.7978 58.0718 40.5205 174.6226 60 R 4.6002 7.5401 120.2663 55.1995 32.8259 173.9182 61 Y 4.5518 8.5941 119.1878 58.6793 38.4754 174.9733 62 R 4.5476 9.3959 121.3184 57.5570 31.9665 176.9012 63 R 4.7980 7.9259 116.5027 54.4280 34.1818 174.2196 64 I 4.6498 8.5130 123.0421 59.7225 40.3139 175.6904 *66 G 3.0825 8.2012 111.8218 46.5563 0.0000 171.4006 67 E 3.9982 7.0857 115.7342 55.9722 34.5207 178.3951 68 G 3.9174 9.2332 115.8339 46.9477 0.0000 174.8817 69 K 4.4977 9.1100 126.0675 56.0687 33.7903 174.7195 70 D 5.4076 7.7943 120.1922 52.2748 43.1539 175.3030 71 W 5.4078 9.2781 122.6479 54.7943 34.1137 174.5294 72 A 4.9944 8.8274 123.2407 50.5247 21.1309 175.7714 73 L 4.7303 8.9202 123.7756 53.7036 43.3902 175.7698 74 E 4.8196 9.3598 127.2980 55.7297 30.9121 175.4620 75 F 5.2771 8.8972 121.1651 55.1088 42.1697 173.1539 76 Q 4.8840 8.3565 120.0366 54.8610 32.6430 173.9357 77 C 4.9997 8.2693 118.0163 58.6805 33.5669 172.2515 78 K 5.0180 9.0263 117.2909 54.8408 36.1873 176.2934 79 V 4.5921 8.8561 123.4606 60.5694 33.0543 176.6199 80 G 3.8788 8.8036 120.6849 47.1021 0.0000 173.8300 81 E 4.3021 8.9693 124.3253 56.3405 29.9339 175.7110 82 L 4.4837 7.7745 120.9098 53.6027 42.8268 175.8422 83 D 5.1180 8.4856 122.7866 54.3159 41.9818 175.5772 84 A 4.9099 8.9666 122.2851 50.4589 23.0863 175.2393 85 V 4.4945 8.4794 120.0519 61.1729 34.6400 174.8480 86 G 3.6344 7.7092 112.9290 44.8998 0.0000 171.2225 87 V 5.0642 8.6072 118.8296 61.1618 35.1154 174.0123 88 D 5.0968 9.6704 128.4772 53.5272 42.1325 175.7400 89 L 4.9248 9.4198 126.0093 53.8859 42.9908 175.9611 90 I 4.8901 8.8413 125.8179 59.6461 40.2139 174.9748 91 T 5.0548 8.8162 123.1310 61.8656 71.0425 173.4499 92 L 5.0005 9.0564 127.5311 53.6887 43.6112 176.6056 93 N 4.7661 8.6145 119.7737 51.1787 39.3357 175.4673 94 E 3.8940 8.8876 118.4496 59.5145 29.4357 177.8158 95 G 3.7136 8.1215 104.3679 45.9308 0.0000 174.2398 96 G 3.9644 8.3080 108.2756 45.3492 0.0000 173.8965 97 L 4.4734 7.8074 119.8883 53.4197 43.1002 175.9702 98 I 4.1661 8.8169 122.3994 61.9366 37.4687 176.4741 99 Q 4.2174 9.3041 129.4608 57.7382 30.6422 175.1186 100 D 5.5054 8.0605 117.7881 52.4404 45.1693 174.8205 101 F 5.2925 9.5462 124.6648 56.7811 42.4490 172.4024 102 E 4.9652 9.5740 128.0486 54.2163 32.0979 174.4545 103 V 5.1400 8.4256 126.3962 61.4501 34.0198 174.7038 104 V 4.6198 8.5456 120.5061 59.3872 35.5915 175.0505 *106 R 4.2711 8.2737 117.6072 55.4763 30.6516 173.3924 107 P 4.9348 0.0000 0.0000 61.6831 34.2190 176.1891 108 Y 4.2027 8.6083 118.5003 61.1603 38.4718 178.1911 109 K 3.7946 8.2277 119.5597 59.9426 32.1993 178.6791 110 T 3.9359 7.8325 115.4977 66.4391 68.3759 176.8046 111 V 3.6962 7.7953 120.1056 65.8278 31.5450 178.2192 112 G 3.4216 7.9289 105.2354 47.7143 0.0000 175.4424 113 A 3.9821 7.8564 123.2768 54.6547 18.1801 179.3878 114 L 3.8757 7.9158 117.8942 58.3012 42.2624 178.7271 115 R 3.9047 7.8984 117.4871 59.5938 30.3571 177.8597 116 D 4.5319 8.1356 118.1958 57.2235 40.7862 179.2626 117 A 4.0650 7.8234 117.3347 53.0829 18.2915 178.7568 *119 N 4.5662 8.1103 119.0918 54.7477 40.6748 176.8854 120 A 3.9404 7.8142 118.9586 55.3907 18.8718 179.0852 121 R 3.9100 8.0149 114.9838 59.5604 30.0917 180.2672 122 V 3.1880 6.5578 111.0355 63.5970 30.6615 176.6876 *124 T 4.2525 7.9283 116.5333 62.9517 70.2649 174.0808 125 D 4.4823 8.2238 121.2813 53.9381 41.4334 176.3775 126 A 4.1069 8.6916 130.3752 55.1387 18.2463 178.9843 127 R 3.6544 8.0016 116.8174 59.1077 30.0262 178.6452 128 F 4.2443 8.3561 116.8012 58.8735 38.5992 177.0403 129 L 4.0335 7.6367 122.6521 58.7742 41.7678 179.3942 130 K 4.1377 7.7064 122.9106 60.0675 31.8518 180.2563 131 Y 4.5095 7.4322 117.6642 59.8699 37.7341 178.2479 132 R 4.1923 8.3687 122.5926 60.3734 30.0288 179.1375 133 E 4.0631 7.7298 115.8839 60.9180 29.9284 180.2951 134 A 4.4620 8.3640 118.7601 52.6815 18.5638 176.4442 135 L 4.3364 7.0863 120.1526 53.3316 43.3645 176.4940 136 S 4.0490 8.6800 119.8233 58.6987 63.0171 173.6731 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 -4 L 8.04 4.25 0.00 1.83 0.73 0.99 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 9.02 3.87 0.00 2.81 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 -2 F 8.49 4.75 0.00 3.12 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 -1 Q 7.94 4.24 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.42 0.00 0.00 0.00 0.00 0.00 2.32 2.20 0.00 0 G 7.74 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 0.00 0.00 0.00 -2 H 8.61 4.86 0.00 3.27 3.24 0.00 5.08 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 P 0.00 4.32 0.00 2.27 1.98 0.00 2.97 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.86 0.00 0 T 7.56 4.34 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 1.21 0.00 0.00 5 I 7.37 3.51 1.18 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.36 0.15 0.00 0.00 6 A 7.63 4.05 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 7 R 7.65 4.71 0.00 1.95 1.85 0.00 3.29 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 *9 Q 8.10 4.41 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.67 0.00 0.00 0.00 0.00 0.00 1.81 2.23 0.00 10 E 7.64 4.11 0.00 1.98 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 0.00 2.42 2.32 0.00 11 V 7.34 4.04 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 1.02 0.00 0.00 0.97 0.00 0.00 12 V 7.75 3.49 2.27 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 1.03 0.00 0.00 1.08 0.00 0.00 13 A 7.24 3.33 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 14 K 8.03 4.03 0.00 1.83 1.85 0.00 1.87 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.60 7.81 15 G 7.30 3.64 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 0.00 0.00 0.00 16 D 7.36 4.46 0.00 2.54 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 17 E 8.64 3.82 0.00 1.97 1.86 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 2.31 2.32 0.00 18 S 8.09 4.17 0.00 4.05 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 19 L 7.75 3.97 0.00 1.73 1.75 0.96 0.81 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 20 I 7.74 3.83 1.93 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.71 0.84 0.00 0.00 21 H 8.14 3.89 0.00 3.30 3.41 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.30 4.10 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.96 4.25 0.00 1.84 1.71 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.09 4.92 0.00 1.68 1.57 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.78 4.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 9.10 3.93 0.00 2.06 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 2.39 2.34 0.00 27 D 7.80 5.46 0.00 2.72 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 28 V 7.86 3.98 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 0.71 0.00 0.00 1.17 0.00 0.00 29 R 9.00 5.02 0.00 2.02 1.93 0.00 3.10 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 30 F 9.67 6.17 0.00 3.03 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 *32 P 0.00 4.17 0.00 2.35 2.31 0.00 3.94 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 33 P 0.00 4.61 0.00 2.30 2.45 0.00 3.47 0.00 0.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 34 T 7.28 3.93 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 1.14 0.00 0.00 35 Y 7.31 4.84 0.00 3.06 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 36 Y 8.45 4.54 0.00 2.88 2.97 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 37 K 7.38 4.69 0.00 1.64 1.55 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.33 1.20 7.81 38 T 8.72 4.82 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39 W 9.49 5.14 0.00 3.47 3.20 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 40 T 8.84 5.07 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 1.25 0.00 0.00 41 G 9.08 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 0.00 0.00 0.00 42 R 8.69 3.81 0.00 1.82 2.28 0.00 2.77 0.00 0.00 2.57 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 43 D 7.92 4.24 0.00 2.69 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 44 P 0.00 2.97 0.00 2.17 1.75 0.00 3.49 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.95 0.00 45 V 7.72 3.22 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 0.87 0.00 0.00 1.08 0.00 0.00 46 A 7.84 3.75 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 47 A 7.38 4.06 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 48 V 7.46 3.25 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 0.62 0.00 0.00 -0.24 0.00 0.00 49 L 7.63 3.59 0.00 1.46 1.35 0.43 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.96 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.83 4.12 0.00 3.20 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.65 3.23 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 0.31 0.00 0.00 0.75 0.00 0.00 53 G 7.59 3.47 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 0.00 54 Q 7.57 4.08 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 55 V 7.34 3.66 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 0.80 0.00 0.00 0.89 0.00 0.00 56 F 7.33 5.01 0.00 3.08 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 57 S 8.61 4.82 0.00 4.00 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 58 E 8.68 4.00 0.00 2.19 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 0.00 2.33 2.30 0.00 59 F 8.27 4.65 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 60 R 7.54 4.60 0.00 1.86 1.92 0.00 2.90 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.70 0.00 61 Y 8.59 4.55 0.00 3.01 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 62 R 9.40 4.55 0.00 1.65 1.96 0.00 3.07 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 63 R 7.93 4.80 0.00 1.76 1.81 0.00 3.10 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 64 I 8.51 4.65 1.96 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.97 0.90 0.00 0.00 *66 G 8.20 3.08 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 67 E 7.09 4.00 0.00 1.65 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 2.04 2.10 0.00 68 G 9.23 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 69 K 9.11 4.50 0.00 1.84 2.03 0.00 1.64 0.00 0.00 1.99 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.49 7.81 70 D 7.79 5.41 0.00 2.38 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 W 9.28 5.41 0.00 3.20 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 72 A 8.83 4.99 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 73 L 8.92 4.73 0.00 1.82 1.54 0.88 -0.05 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 74 E 9.36 4.82 0.00 2.08 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 2.25 2.18 0.00 75 F 8.90 5.28 0.00 2.08 2.50 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 76 Q 8.36 4.88 0.00 1.97 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.51 0.00 0.00 0.00 0.00 0.00 2.13 2.33 0.00 77 C 8.27 5.00 0.00 3.07 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 78 K 9.03 5.02 0.00 1.69 1.92 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.33 1.34 7.81 79 V 8.86 4.59 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 1.03 0.00 0.00 1.24 0.00 0.00 80 G 8.80 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 81 E 8.97 4.30 0.00 1.98 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 2.29 2.27 0.00 82 L 7.77 4.48 0.00 1.89 1.59 0.93 1.11 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 83 D 8.49 5.12 0.00 2.55 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 84 A 8.97 4.91 1.16 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 0.00 0.00 85 V 8.48 4.49 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 0.61 0.00 0.00 0.83 0.00 0.00 86 G 7.71 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 87 V 8.61 5.06 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 1.07 0.00 0.00 0.91 0.00 0.00 88 D 9.67 5.10 0.00 2.85 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 9.42 4.92 0.00 1.77 1.68 0.99 0.63 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 90 I 8.84 4.89 1.92 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.70 0.86 0.00 0.00 91 T 8.82 5.05 4.29 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 1.25 0.00 0.00 92 L 9.06 5.00 0.00 1.52 1.57 0.74 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 93 N 8.61 4.77 0.00 2.98 3.10 0.00 0.00 6.75 7.16 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 94 E 8.89 3.89 0.00 1.97 2.06 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 2.32 2.35 0.00 95 G 8.12 3.71 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 0.00 0.00 0.00 96 G 8.31 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.81 4.47 0.00 1.76 1.76 0.93 0.93 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 98 I 8.82 4.17 1.97 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 1.07 0.71 1.06 0.00 0.00 99 Q 9.30 4.22 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 100 D 8.06 5.51 0.00 2.66 2.58 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 0.00 101 F 9.55 5.29 0.00 3.22 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 0.00 102 E 9.57 4.97 0.00 2.12 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 2.26 2.23 0.00 103 V 8.43 5.14 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 1.40 0.00 0.00 1.43 0.00 0.00 104 V 8.55 4.62 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 0.78 0.00 0.00 0.99 0.00 0.00 *106 R 8.27 4.27 0.00 2.02 2.09 0.00 2.92 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 107 P 0.00 4.93 0.00 2.34 2.25 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 108 Y 8.61 4.20 0.00 3.05 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.23 3.79 0.00 1.94 1.83 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.55 7.81 110 T 7.83 3.94 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 1.31 0.00 0.00 111 V 7.80 3.70 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 1.07 0.00 0.00 0.98 0.00 0.00 112 G 7.93 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.86 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.92 3.88 0.00 1.74 1.96 0.73 1.45 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 0.00 115 R 7.90 3.90 0.00 1.70 2.00 0.00 3.17 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.01 0.00 116 D 8.14 4.53 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 7.82 4.06 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 *119 N 8.11 4.57 0.00 2.98 2.95 0.00 0.00 6.91 7.54 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 0.00 120 A 7.81 3.94 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 0.00 0.00 0.00 0.00 0.00 121 R 8.01 3.91 0.00 1.66 1.55 0.00 3.03 0.00 0.00 3.05 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 122 V 6.56 3.19 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 0.36 0.00 0.00 0.26 0.00 0.00 *124 T 7.93 4.25 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 125 D 8.22 4.48 0.00 2.90 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 0.00 126 A 8.69 4.11 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 0.00 127 R 8.00 3.65 0.00 1.67 1.32 0.00 3.06 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.70 0.00 128 F 8.36 4.24 0.00 3.55 3.31 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 0.00 129 L 7.64 4.03 0.00 1.68 1.66 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.71 4.14 0.00 1.80 1.80 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.10 7.81 131 Y 7.43 4.51 0.00 2.76 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 0.00 132 R 8.37 4.19 0.00 1.95 2.06 0.00 3.21 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.15 0.00 133 E 7.73 4.06 0.00 2.02 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 2.26 2.21 0.00 134 A 8.36 4.46 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.09 4.34 0.00 0.39 1.25 -0.39 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 136 S 8.68 4.05 0.00 3.90 3.79 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 * Residues marked with a * may have inaccurate shift predictions.