NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2075 8.3044 118.1809 55.4590 33.7826 175.6388 2 V 4.0030 6.9847 123.4314 61.8101 31.6388 174.2400 3 L 4.3853 8.5640 119.1119 53.5629 44.2746 172.2781 4 L 4.3261 7.4812 118.9331 54.3500 43.4546 171.8345 5 T 5.3200 8.4205 124.3461 62.1427 72.4738 173.2029 6 M 5.3825 9.1356 124.7838 53.6523 36.5840 174.2827 7 I 4.6473 8.7290 123.4851 59.3506 40.2769 174.5585 8 A 4.5140 7.8510 127.2732 49.9300 23.3019 174.9424 9 R 4.1584 8.4095 120.9478 56.1408 30.6363 177.4997 10 V 3.3802 8.7920 127.4809 66.2392 31.5769 176.8076 11 A 3.9957 7.6811 120.4809 54.9952 18.1539 177.7769 12 D 4.6304 7.9201 112.0133 52.5034 40.6987 177.2385 13 G 3.7054 8.1519 108.0475 45.6466 0.0000 173.1357 14 L 3.9425 7.6874 122.4071 54.0740 43.1027 174.5705 15 P 4.0516 0.0000 0.0000 62.7736 32.1867 176.4474 16 L 4.5692 8.6020 123.1005 56.0993 44.4038 176.2640 17 A 5.2201 7.3550 117.0012 51.5198 22.5358 174.8000 18 A 5.0509 8.5903 119.3002 51.8760 22.3648 175.7953 19 S 4.7125 8.7658 113.2772 57.4695 66.1220 172.8681 20 M 5.0430 8.5283 124.6007 54.5519 36.2272 174.5693 21 Q 4.4576 8.4175 119.6203 55.4224 32.8578 173.5465 22 E 4.3585 8.7128 122.6412 58.4059 30.9278 177.7223 23 D 4.5319 7.5858 117.3623 54.4752 40.9607 175.6707 *29 D 4.4767 7.7376 118.0161 53.6618 42.6131 176.6579 30 L 4.0661 8.4996 120.8545 58.5736 41.3023 178.3060 31 Q 3.9850 8.2654 118.9392 59.5377 28.9535 178.5426 32 Q 3.9272 7.7777 118.5425 59.6382 29.2474 177.9160 33 Y 4.2085 8.1379 116.9032 60.7362 37.9475 178.0138 34 Q 4.1828 8.5641 121.2940 58.6604 29.0928 178.2811 35 S 4.1113 7.7948 114.4368 61.6328 63.3148 176.3752 36 Q 3.8570 7.9440 121.5882 58.4244 28.3712 178.9869 37 A 3.4412 7.9848 121.7024 54.8737 18.4094 179.7832 38 K 4.2028 7.7840 116.0405 58.9530 32.0771 179.7796 39 Q 3.9093 7.8816 119.0985 58.7285 28.6865 177.8187 40 L 3.7021 7.6068 121.2355 58.0890 41.8470 178.6496 41 F 4.3237 7.2609 116.8962 61.0446 39.0465 177.6519 42 R 4.0410 7.6409 116.1970 59.3691 29.9269 178.4486 43 K 4.0776 7.7773 117.3908 58.2521 32.5655 178.0270 44 L 3.9702 7.5312 118.4149 55.5479 42.1929 176.1900 45 N 4.8296 8.9646 118.7558 51.8405 40.0495 174.6874 46 E 3.9461 8.8092 115.5752 58.9766 29.3102 177.5209 47 Q 4.4159 8.0781 116.8843 56.0052 29.5588 176.2340 48 S 4.4131 7.9049 114.9124 57.3825 63.4812 172.4463 49 P 4.4275 0.0000 0.0000 63.2208 31.6459 176.7254 50 T 4.4881 8.5398 111.2227 62.8175 69.9290 174.3172 51 R 4.8857 7.6516 122.2768 55.7118 34.4626 173.4640 52 C 4.7310 8.4275 123.4601 58.4422 36.3165 172.6374 53 T 5.0465 9.0810 118.1948 62.0070 72.1476 173.2310 54 L 5.2937 9.1753 126.7325 53.0883 45.1965 175.2253 55 E 4.8545 9.1702 121.6937 54.0872 31.9081 176.3418 56 A 5.0693 8.5497 128.6743 50.9099 20.0152 175.8212 57 G 3.9287 7.7057 118.0917 45.9816 0.0000 175.2915 58 A 4.1182 8.8150 129.6791 53.6964 18.3947 176.8673 59 M 5.0822 7.8380 114.9833 53.8542 35.8248 175.2744 60 T 4.9191 8.2584 116.0816 62.6368 73.3462 173.4322 61 F 5.0150 9.2580 125.9692 57.0691 41.1804 174.6890 62 H 5.3718 9.3842 119.2688 54.2964 32.6238 172.1721 63 Y 6.1788 8.9626 120.2351 55.5883 42.1193 173.7041 64 I 5.3346 8.7622 111.7901 59.7315 41.4425 173.5284 65 I 5.1388 8.8432 125.2072 59.7910 39.5623 175.2556 66 E 4.5042 9.0789 126.1602 55.8353 33.3001 175.4310 67 Q 3.3948 9.6787 125.6078 57.3944 27.5245 173.6148 68 G 3.9215 8.1818 100.7065 46.0074 0.0000 172.5422 69 V 4.5219 7.6513 119.7656 60.7722 34.2123 173.8400 70 C 4.9894 8.8247 129.0483 58.3912 33.0414 171.8032 71 Y 4.6827 9.3607 124.5153 56.5332 39.4631 174.4926 72 L 5.2607 9.0289 127.2933 53.6882 45.2822 175.4035 73 V 5.0989 8.7179 121.4617 60.5268 34.9130 172.8311 74 L 4.8082 8.1494 125.3000 53.5044 44.9296 174.6969 75 C 4.5886 7.3427 116.6284 57.3848 33.5676 172.7001 76 E 4.4304 8.2320 119.1072 56.2076 29.4334 178.1998 77 A 4.3334 8.8564 126.9276 54.7126 18.7134 178.8187 78 A 4.0829 8.0812 117.5704 54.9577 18.6632 178.0359 79 F 3.9699 8.4109 117.6993 58.0240 39.8140 172.3615 80 P 3.9826 0.0000 0.0000 62.7342 31.2318 176.4055 81 K 3.6581 8.8757 125.4096 59.4857 31.6822 178.1932 82 K 3.9942 8.0869 118.3443 60.3718 32.1419 178.8310 83 L 4.2674 7.8286 119.6296 56.9918 41.6027 179.0937 84 A 4.1322 7.8571 120.4701 55.4075 18.2524 179.5905 85 F 4.2086 7.9033 116.0029 60.4875 39.1029 177.8894 86 A 4.1107 7.9354 119.3060 55.2221 18.0359 179.0624 87 Y 3.3792 8.1762 118.3597 60.6405 38.8021 178.2997 88 L 3.7333 7.8636 119.8776 57.7165 41.8062 179.3335 89 E 3.9481 8.5491 118.9108 59.4605 29.1494 179.1341 90 D 4.4914 8.0442 118.5672 57.3022 40.8902 178.8823 91 L 4.4876 7.6474 119.4614 58.5248 41.6863 178.3880 92 H 3.5603 8.1507 119.3768 58.5216 29.6307 176.7536 93 S 3.9192 8.0145 115.0929 61.7094 62.6242 176.4240 94 E 3.7568 7.9814 122.4988 58.7412 29.3749 178.4753 95 F 3.5968 8.9065 120.9700 61.2937 39.5966 176.5127 96 D 4.2719 8.8399 117.9786 57.2694 40.7435 177.8504 97 E 3.8465 7.7557 118.7773 59.1827 29.7099 178.5921 98 Q 3.9762 7.7016 116.8413 58.3900 29.2178 176.6908 99 H 4.6457 7.8475 113.6975 54.5719 30.3021 175.4192 100 G 4.0628 7.3947 109.3640 47.5383 0.0000 174.9344 101 K 4.2174 7.7798 116.3733 56.7817 32.9097 177.0571 102 K 4.3161 8.1075 119.9725 56.9114 31.8600 178.1819 103 V 3.7228 8.0917 119.1198 65.7247 31.1250 175.6384 104 P 4.0450 0.0000 0.0000 64.0981 31.4123 176.4541 105 T 4.2834 7.8958 109.2654 63.1889 70.0049 175.4946 106 V 3.8446 6.8814 113.9341 61.7081 31.9747 175.7779 107 S 4.6209 8.0817 110.7118 58.3982 66.1646 174.6597 108 R 4.2962 7.7077 119.9795 54.5367 30.8626 174.5457 109 P 4.2643 0.0000 0.0000 63.6077 32.1696 175.3802 110 Y 3.8258 8.1118 116.0733 59.1432 36.0236 173.4751 111 S 4.2170 8.1181 114.3395 60.3316 63.3758 174.7985 112 F 5.0244 7.9220 120.1087 56.1511 39.9450 177.2788 113 I 3.9155 7.9327 116.9931 64.5103 37.0244 176.6688 114 E 4.3628 8.4650 119.3458 58.7127 29.3553 178.0989 115 F 4.6164 8.6467 119.8406 59.2223 39.3503 175.8847 116 D 4.4591 8.6469 118.4792 58.7831 40.9866 178.0692 117 T 3.8171 7.6665 115.6477 66.6658 68.6147 175.9884 118 F 4.0045 8.1051 121.6887 61.5126 39.2255 176.8111 119 I 3.6020 7.2020 118.5897 64.9556 36.8497 178.4889 120 Q 4.1509 7.9309 118.0890 58.2981 28.3248 178.2039 121 K 4.1459 7.8722 118.0100 58.6018 33.1287 178.2474 122 T 4.2536 7.2916 116.5402 65.1536 69.2734 176.5878 123 K 3.7275 8.4360 122.1002 59.5647 31.7605 179.0690 124 K 4.0768 7.8411 118.4281 58.9580 31.7113 178.5037 125 L 4.2157 7.5218 116.9635 55.8287 41.5729 176.8653 126 Y 4.5491 7.9183 115.7105 57.9919 40.5146 176.0626 127 I 4.3593 6.9574 120.5634 60.1172 37.1627 176.9523 128 D 4.3771 7.7945 119.9917 53.3989 41.8618 175.0101 129 S 4.1543 8.7668 122.6246 60.7296 62.8234 175.1927 130 R 4.3418 7.4509 116.6963 56.3164 29.8195 176.0553 *148 I 3.9535 7.4714 117.2850 63.1049 38.6766 174.8178 149 M 4.7417 8.0435 120.7911 54.6599 35.5938 173.1406 150 V 5.3537 8.4128 122.9274 60.4347 34.3087 174.3866 151 A 4.6142 8.1786 126.2811 50.7968 22.8463 175.0440 152 N 4.7257 8.7823 119.3751 53.2530 39.3739 175.3653 153 I 3.4442 8.4344 127.2605 64.5516 38.1860 177.3876 154 E 4.0069 8.3305 118.3344 59.9887 29.1308 178.1093 155 E 4.0448 8.9080 120.2262 58.0377 29.7616 178.1100 156 V 3.6753 7.7246 119.4312 66.1875 31.7811 176.0844 157 L 4.1294 7.6812 121.5207 54.9574 41.4701 176.5795 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 4.21 0.00 2.38 2.38 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.73 0.00 2 V 6.98 4.00 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 0.73 0.00 0.00 0.81 0.00 0.00 3 L 8.56 4.39 0.00 1.65 1.43 0.87 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.48 4.33 0.00 1.80 1.77 1.03 0.77 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 5 T 8.42 5.32 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 6 M 9.14 5.38 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.70 0.00 7 I 8.73 4.65 1.50 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 1.11 0.70 -0.37 0.00 0.00 8 A 7.85 4.51 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.41 4.16 0.00 1.78 1.82 0.00 3.08 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 10 V 8.79 3.38 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 0.76 0.00 0.00 0.90 0.00 0.00 11 A 7.68 4.00 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 12 D 7.92 4.63 0.00 2.73 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 13 G 8.15 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 14 L 7.69 3.94 0.00 1.86 1.44 0.83 0.98 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 15 P 0.00 4.05 0.00 0.85 1.10 0.00 3.35 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.90 0.00 16 L 8.60 4.57 0.00 1.34 1.80 0.71 0.93 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 17 A 7.36 5.22 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.59 5.05 1.49 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 19 S 8.77 4.71 0.00 3.96 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 20 M 8.53 5.04 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 21 Q 8.42 4.46 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 22 E 8.71 4.36 0.00 1.94 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 2.23 2.30 0.00 23 D 7.59 4.53 0.00 2.65 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 *29 D 7.74 4.48 0.00 2.95 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 30 L 8.50 4.07 0.00 1.78 1.72 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.27 3.98 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 32 Q 7.78 3.93 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.57 0.00 0.00 0.00 0.00 0.00 1.86 2.22 0.00 33 Y 8.14 4.21 0.00 3.17 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 34 Q 8.56 4.18 0.00 2.53 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 35 S 7.79 4.11 0.00 4.12 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 36 Q 7.94 3.86 0.00 2.34 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 37 A 7.98 3.44 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.78 4.20 0.00 1.97 1.92 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.61 1.80 7.81 39 Q 7.88 3.91 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.67 2.42 0.00 40 L 7.61 3.70 0.00 1.43 1.25 0.79 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.26 4.32 0.00 3.15 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 42 R 7.64 4.04 0.00 1.86 2.13 0.00 3.25 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 1.63 1.66 0.00 43 K 7.78 4.08 0.00 1.85 1.82 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.72 1.57 7.81 44 L 7.53 3.97 0.00 1.67 1.56 0.56 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.96 4.83 0.00 2.88 2.90 0.00 0.00 6.56 7.77 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 46 E 8.81 3.95 0.00 2.10 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 0.00 2.28 2.29 0.00 47 Q 8.08 4.42 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 48 S 7.90 4.41 0.00 3.97 3.89 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 49 P 0.00 4.43 0.00 2.12 2.02 0.00 3.82 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 2.09 2.12 0.00 50 T 8.54 4.49 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 51 R 7.65 4.89 0.00 1.59 1.59 0.00 3.11 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 52 C 8.43 4.73 0.00 2.72 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 9.08 5.05 4.46 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 1.27 0.00 0.00 54 L 9.18 5.29 0.00 1.77 1.75 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 55 E 9.17 4.85 0.00 1.93 1.89 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 2.26 2.27 0.00 56 A 8.55 5.07 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 57 G 7.71 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 58 A 8.82 4.12 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 59 M 7.84 5.08 0.00 1.63 2.15 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.51 0.00 60 T 8.26 4.92 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 1.20 0.00 0.00 61 F 9.26 5.01 0.00 3.08 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 H 9.38 5.37 0.00 2.86 2.43 0.00 5.59 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.96 6.18 0.00 3.25 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 64 I 8.76 5.33 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.20 1.23 0.00 0.00 65 I 8.84 5.14 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 0.96 0.00 0.00 66 E 9.08 4.50 0.00 1.79 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 2.21 2.07 0.00 67 Q 9.68 3.39 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 68 G 8.18 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 V 7.65 4.52 2.26 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 0.13 0.00 0.00 0.92 0.00 0.00 70 C 8.82 4.99 0.00 2.94 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 9.36 4.68 0.00 2.99 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 9.03 5.26 0.00 1.90 1.84 1.05 0.62 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 73 V 8.72 5.10 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 1.08 0.00 0.00 74 L 8.15 4.81 0.00 1.41 1.39 -0.53 0.38 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 75 C 7.34 4.59 0.00 2.67 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 76 E 8.23 4.43 0.00 2.02 1.89 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 2.29 2.26 0.00 77 A 8.86 4.33 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 78 A 8.08 4.08 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 79 F 8.41 3.97 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 80 P 0.00 3.98 0.00 1.68 1.81 0.00 2.38 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.90 0.00 81 K 8.88 3.66 0.00 1.90 1.87 0.00 1.91 0.00 0.00 1.97 0.00 0.00 3.14 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.78 1.84 7.81 82 K 8.09 3.99 0.00 2.04 2.09 0.00 1.52 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.47 7.81 83 L 7.83 4.27 0.00 1.47 1.93 0.73 0.91 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 84 A 7.86 4.13 1.14 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 85 F 7.90 4.21 0.00 3.19 3.09 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 86 A 7.94 4.11 1.61 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 0.00 0.00 87 Y 8.18 3.38 0.00 2.07 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 88 L 7.86 3.73 0.00 1.97 1.71 1.12 0.75 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 89 E 8.55 3.95 0.00 2.18 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 2.51 2.55 0.00 90 D 8.04 4.49 0.00 3.05 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 91 L 7.65 4.49 0.00 1.76 2.02 0.52 1.30 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 92 H 8.15 3.56 0.00 2.12 3.12 0.00 5.68 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.01 3.92 0.00 4.08 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 94 E 7.98 3.76 0.00 1.87 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 0.00 1.47 2.12 0.00 95 F 8.91 3.60 0.00 2.94 3.22 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 96 D 8.84 4.27 0.00 2.93 2.70 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 97 E 7.76 3.85 0.00 2.05 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 2.23 2.28 0.00 98 Q 7.70 3.98 0.00 1.62 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 99 H 7.85 4.65 0.00 1.48 2.49 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 7.39 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 0.00 101 K 7.78 4.22 0.00 1.72 1.84 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.32 7.81 102 K 8.11 4.32 0.00 1.82 1.93 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.42 7.81 103 V 8.09 3.72 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 0.86 0.00 0.00 104 P 0.00 4.04 0.00 2.22 2.15 0.00 3.76 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 1.99 1.95 0.00 105 T 7.90 4.28 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 0.00 106 V 6.88 3.84 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 1.08 0.00 0.00 107 S 8.08 4.62 0.00 3.89 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 0.00 108 R 7.71 4.30 0.00 1.76 1.87 0.00 3.15 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 109 P 0.00 4.26 0.00 2.16 1.97 0.00 3.84 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 2.06 2.09 0.00 110 Y 8.11 3.83 0.00 3.19 3.01 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 0.00 111 S 8.12 4.22 0.00 3.33 3.25 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 0.00 112 F 7.92 5.02 0.00 3.49 3.13 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 0.00 0.00 0.00 0.00 113 I 7.93 3.92 1.94 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 1.60 1.32 1.06 0.00 0.00 114 E 8.46 4.36 0.00 2.19 2.19 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 2.48 2.45 0.00 115 F 8.65 4.62 0.00 3.49 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 0.00 116 D 8.65 4.46 0.00 3.25 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 0.00 117 T 7.67 3.82 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 0.00 118 F 8.11 4.00 0.00 2.87 2.33 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 0.00 119 I 7.20 3.60 2.08 0.00 0.00 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 1.70 0.44 1.04 0.00 0.00 120 Q 7.93 4.15 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 121 K 7.87 4.15 0.00 1.88 1.88 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.28 1.22 7.81 122 T 7.29 4.25 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 1.35 0.00 0.00 123 K 8.44 3.73 0.00 1.95 1.94 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.20 7.81 124 K 7.84 4.08 0.00 1.79 1.82 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.59 7.81 125 L 7.52 4.22 0.00 1.65 1.54 0.94 0.69 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 0.00 126 Y 7.92 4.55 0.00 2.89 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 0.00 127 I 6.96 4.36 1.78 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.02 0.84 0.00 0.00 128 D 7.79 4.38 0.00 2.61 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 0.00 129 S 8.77 4.15 0.00 4.00 4.03 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 0.00 130 R 7.45 4.34 0.00 1.92 2.04 0.00 3.08 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 *148 I 7.47 3.95 1.74 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.30 0.85 0.00 0.00 149 M 8.04 4.74 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 150 V 8.41 5.35 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 1.17 0.00 0.00 0.97 0.00 0.00 151 A 8.18 4.61 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 0.00 152 N 8.78 4.73 0.00 2.79 2.75 0.00 0.00 6.64 7.82 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 0.00 153 I 8.43 3.44 2.01 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 1.16 1.01 1.04 0.00 0.00 154 E 8.33 4.01 0.00 2.10 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 2.38 2.38 0.00 155 E 8.91 4.04 0.00 1.92 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 2.33 2.32 0.00 156 V 7.72 3.68 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 0.93 0.00 0.00 0.96 0.00 0.00 157 L 7.68 4.13 0.00 1.68 1.51 0.83 0.71 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 * Residues marked with a * may have inaccurate shift predictions.