NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 3.8911 8.1749 115.2197 61.9276 68.4760 172.8962 3 Y 4.4415 8.2085 117.7132 57.7543 38.8630 173.9990 4 Q 4.5614 9.6168 123.4962 57.3578 31.5080 175.3120 5 A 5.2240 8.0774 119.4333 50.2455 23.2307 174.9169 6 L 5.2290 8.4973 119.3304 51.7063 46.4919 175.3260 *8 F 5.0051 8.3061 116.8234 57.6433 40.3785 175.0302 9 D 5.0657 8.8694 122.6624 54.8262 41.9342 175.6962 10 I 4.3107 8.5464 121.2615 63.3304 38.3549 175.7015 11 D 4.8444 7.9722 119.6740 55.5328 41.0011 177.0832 12 G 4.3701 9.6417 112.7011 46.2157 0.0000 173.0267 13 T 4.4667 7.7547 113.6244 64.8761 71.4265 176.0389 14 L 4.2776 8.8678 120.6815 56.8993 42.5287 177.2107 15 T 4.9249 7.8712 107.8884 59.9023 71.0641 173.4571 16 N 4.5725 8.2136 124.7554 52.4559 37.1811 175.2795 17 S 4.6699 7.8821 114.4800 58.3862 64.2572 175.7978 18 Q 3.3404 7.6165 124.0185 58.6398 28.7958 175.9254 19 P 4.2327 0.0000 0.0000 65.6588 31.3986 178.3440 20 A 4.1512 8.0382 118.9109 55.3170 18.1360 178.6025 21 Y 4.2863 8.3065 117.3121 61.3818 38.9140 178.4184 22 T 4.3265 8.1742 115.2768 67.1673 69.0769 176.3312 23 T 4.0804 7.8118 117.3111 66.5683 68.4006 176.9684 24 V 3.6426 7.6383 117.8989 63.4371 31.4888 177.5168 *26 R 4.1829 7.9445 119.1593 55.8339 31.7851 177.0923 27 E 3.8523 7.9929 116.6122 59.1918 29.9078 178.5628 28 V 3.5770 7.6670 118.2574 66.1114 31.5600 178.0124 29 L 4.2263 7.8332 117.7955 57.7133 41.4216 179.0795 30 A 4.0935 8.0348 121.0322 55.2155 18.0668 179.0360 31 T 4.1007 7.8678 105.8310 63.1518 69.1090 174.7887 32 Y 4.4241 7.7281 118.5848 57.4074 38.4552 175.6663 33 G 3.9848 8.0896 107.3568 46.6190 0.0000 174.1167 34 K 4.6709 8.0522 117.2953 53.4132 35.4019 174.8236 35 P 4.6410 0.0000 0.0000 62.1799 32.8396 175.6659 36 F 4.8578 8.2703 120.4153 56.0623 40.1454 174.3732 37 S 4.3621 8.2680 123.4281 57.0348 65.1414 172.8293 38 P 4.0460 0.0000 0.0000 65.8666 31.0480 178.6208 39 A 3.9385 7.8963 118.7287 55.4915 18.3053 179.6118 40 Q 3.9035 7.9445 116.1850 58.7839 28.6829 178.8434 41 A 4.0907 7.5510 122.0660 55.1474 18.1945 179.4386 42 Q 3.9161 8.0291 117.1618 59.1717 29.2019 178.1279 43 K 4.1205 8.0523 119.8310 59.5906 32.4149 178.3795 44 T 4.2940 8.0279 107.9362 63.2453 69.2511 176.1738 45 F 3.5014 8.0308 123.8870 60.1054 40.5886 174.2317 46 P 4.0089 0.0000 0.0000 61.3976 30.3009 175.3734 *48 A 4.0091 7.4434 121.9048 52.1928 20.2779 177.7761 49 A 3.8463 8.5894 123.6273 55.2520 18.7167 178.9971 50 E 3.8834 8.1027 115.2486 59.3338 30.2400 177.8353 51 Q 4.0053 8.1485 119.1588 59.1917 29.4726 178.7196 52 A 4.1375 7.8676 118.1146 53.0920 18.0335 179.2585 *54 T 4.4012 8.0777 117.2617 65.2210 70.3824 176.2125 55 E 3.9434 8.4064 120.9067 59.1314 29.6202 177.5495 56 L 4.1813 7.8881 116.1911 54.9701 41.9026 177.4331 57 G 3.9077 8.0644 106.8812 45.9755 0.0000 173.9259 58 I 3.7224 7.5811 119.7694 60.3480 37.7118 175.9868 59 A 3.9763 8.8696 127.1528 52.7163 18.4258 178.3694 60 A 2.5837 8.5388 124.6707 54.5521 18.1952 179.7256 61 S 4.2234 7.8923 110.9021 60.3279 63.4501 175.1373 62 E 4.6911 8.1449 121.6598 56.3156 29.7958 177.4289 63 F 4.2931 7.9421 118.7917 60.9510 39.0164 177.2098 64 D 4.4981 8.2780 117.9409 57.5071 40.6070 178.1924 65 H 4.3111 8.3597 118.3064 59.2859 30.0482 176.5805 66 F 4.0794 8.6131 122.7361 61.8594 39.0697 177.2806 67 Q 4.1794 8.5624 117.0665 58.7456 28.4561 178.6142 68 A 4.0524 8.1575 121.9632 55.2668 18.4633 179.5775 69 Q 3.8856 8.2954 116.8340 59.2448 28.5449 178.5856 70 Y 3.8710 7.7953 119.1575 60.8288 38.9443 177.7307 71 E 4.1163 8.3205 118.2073 59.4036 29.6030 178.7765 72 D 4.5095 7.9690 118.2014 57.1068 41.2685 179.2573 73 V 3.7031 7.6796 118.1039 63.0914 31.7936 177.2143 *75 A 3.5989 8.0048 119.7864 51.2143 20.2145 178.2079 76 S 4.4234 7.6535 110.4448 58.8479 63.2700 174.3063 77 H 4.7612 7.1974 116.3046 55.4380 29.6134 174.9932 78 Y 4.3702 7.6133 122.2723 61.8619 37.7888 178.5890 79 D 4.6123 8.0896 116.6844 55.0348 40.0738 179.9167 80 Q 4.3826 8.0570 117.2545 57.1085 29.2929 174.8394 81 I 4.6247 7.7313 118.1535 60.3470 39.2067 174.8616 82 E 4.9504 8.5688 125.4939 53.9801 33.3081 175.5540 83 L 4.4908 8.4670 121.3485 54.8931 42.4093 176.8788 84 Y 4.3328 8.5257 120.1433 57.2482 39.0555 174.4309 85 P 4.2692 0.0000 0.0000 64.3239 32.1037 176.4716 86 G 3.8727 8.7727 109.1734 45.8159 0.0000 175.7618 87 I 3.4398 7.4396 121.0605 64.4518 36.8807 178.3472 88 T 3.9065 7.7530 110.1782 65.0886 68.0712 176.5433 89 S 4.1042 7.9220 117.5602 60.8448 62.8675 176.1568 90 L 3.7497 7.8695 123.1998 58.2884 41.6257 179.2258 91 F 4.1868 7.6340 115.5948 60.0828 38.8330 177.2776 92 E 4.1552 7.9769 117.6827 58.5606 29.2962 178.1543 93 Q 4.4060 7.2886 115.3567 55.2982 30.3540 176.3095 94 L 3.8781 7.1999 120.0909 53.8404 42.4234 175.3701 95 P 4.2539 0.0000 0.0000 62.7634 31.7376 177.7700 96 S 4.2561 8.5326 116.5899 60.8995 63.2798 175.4695 97 E 4.0878 8.0646 119.8244 58.8160 29.4779 177.3023 98 L 4.3554 7.4575 118.5211 54.8330 42.7134 177.1569 99 R 4.4487 8.9230 122.1434 55.4150 31.1122 175.4317 100 L 5.4024 8.5739 124.1693 53.5113 44.6691 175.9167 101 G 4.4087 8.8370 108.4776 45.8655 0.0000 171.8526 102 I 5.1933 8.6193 119.7073 59.4580 40.7687 175.5909 103 V 4.8058 9.0077 125.7685 61.5662 33.4245 174.3560 104 T 4.9989 9.0936 122.8409 60.3366 70.8868 174.5388 105 S 4.5810 8.8891 119.3523 58.9767 64.1105 174.6864 106 Q 4.2163 8.0617 121.7995 56.0437 29.1841 176.4291 107 R 4.4793 8.4376 120.1177 55.7840 32.2221 177.9649 108 R 3.8987 9.6602 122.0996 59.8872 30.0921 178.7305 109 N 4.3394 8.2073 115.6351 56.4495 38.5130 176.8410 110 E 4.1750 8.1469 121.4487 58.5444 29.6283 178.3592 111 L 4.0767 8.0219 119.7116 58.1842 42.2581 178.5659 112 E 4.0425 8.2829 117.4479 59.6104 29.5453 179.1539 113 S 4.2819 7.8795 113.7194 61.4618 63.0444 176.4218 114 G 2.7718 7.3418 104.7073 45.5409 0.0000 174.1307 *116 R 4.2326 7.8174 120.7653 55.9573 31.7783 176.6246 117 S 4.0855 7.7017 111.0651 60.5223 62.8085 174.1230 118 Y 4.1477 7.3690 120.0780 57.1805 37.8533 174.9450 119 P 4.3594 0.0000 0.0000 65.1664 31.6591 176.4736 120 F 4.0326 7.2848 113.7955 57.0832 37.4729 175.5752 *123 R 3.9710 8.2106 124.8438 55.8866 30.1201 174.7170 *125 A 4.5972 7.9583 122.0361 51.4571 21.3957 177.2563 126 V 4.6473 7.4665 113.5982 60.7453 35.2056 173.6105 127 T 5.0914 8.5019 112.7691 60.0813 71.4519 172.8314 128 I 4.6926 8.9960 127.4040 59.5838 39.9050 175.3309 129 S 5.3068 9.6746 121.9990 55.3159 65.7166 174.9340 130 A 4.0478 8.6949 122.4742 55.4932 17.9803 178.5243 131 D 4.6081 7.9455 112.9201 55.7049 41.0155 176.6148 132 D 4.8304 8.0173 118.4257 54.3881 41.8987 176.1557 133 T 4.7342 7.3714 107.8989 59.3183 71.6912 171.9020 134 P 4.5551 0.0000 0.0000 63.3084 31.6924 175.8000 135 K 4.7506 7.6160 117.8722 54.8053 35.7617 175.4305 136 R 4.7427 8.0059 118.0106 53.7601 33.4659 175.5848 137 K 4.3760 8.6626 119.6827 56.9487 32.5374 174.9242 138 P 5.2065 0.0000 0.0000 62.1161 31.5654 175.3047 139 D 4.4459 7.8957 119.1560 54.1348 41.6337 175.3954 140 P 4.3876 0.0000 0.0000 64.8004 31.4267 178.2444 141 L 3.8944 8.3133 121.3090 58.0298 42.0353 177.1009 142 P 4.2308 0.0000 0.0000 65.4010 31.2963 178.3763 143 L 3.7317 7.6725 118.6707 58.1220 42.1123 178.9139 144 L 4.0299 8.0698 118.9866 57.8704 41.4731 179.6599 145 T 3.8642 8.3345 116.1708 66.4040 68.2463 176.5206 146 A 3.9717 7.8319 122.3587 55.3250 18.4421 179.7827 147 L 3.9588 7.9483 117.4720 57.7263 41.7237 179.3237 148 E 3.9558 8.3190 119.4708 59.2761 29.3505 179.1035 149 K 4.1096 7.9958 117.5291 58.5842 32.0970 178.7219 150 V 4.1768 7.3030 110.3508 59.6709 32.7285 175.5566 151 N 4.1740 7.8477 114.9172 54.6209 36.4442 174.7582 152 V 4.3755 7.7668 115.0552 60.6755 34.8357 174.8993 153 A 4.2836 8.4230 129.3853 51.2155 19.2658 176.2354 154 P 4.2913 0.0000 0.0000 65.7659 31.5327 179.0282 155 Q 4.1578 8.1502 114.3543 58.4487 28.7845 176.3674 156 N 5.1637 8.6364 115.8762 52.7937 39.8503 173.9707 157 A 5.3889 8.0870 119.9042 50.0339 22.3098 176.2019 158 L 4.5425 8.3687 121.1561 53.0557 45.4145 174.9090 159 F 4.9502 9.0030 128.9770 56.9077 41.3553 174.1380 160 I 4.6099 7.1479 126.8088 59.1025 39.3632 175.0766 161 G 4.5193 6.9712 113.1642 45.2175 0.0000 172.0435 162 D 5.0004 8.1862 116.6795 51.8620 41.5187 175.0661 163 S 4.7103 7.7073 112.0905 55.6077 67.8772 173.8262 164 V 3.7051 8.1401 123.4639 65.5955 31.2148 178.2101 165 S 4.0519 7.9484 112.4277 61.5408 62.2556 175.7942 166 D 4.5557 8.1781 121.4934 57.3979 40.2372 178.5736 167 E 2.9162 7.6462 118.9684 59.2730 29.3630 179.5491 168 Q 3.9518 8.4630 118.3067 58.9410 28.7170 178.7446 169 T 4.1823 8.4584 118.2351 66.0275 68.4833 176.3594 170 A 4.1162 8.2721 122.3775 55.3365 18.4850 179.5663 171 Q 3.9299 8.2291 116.3446 59.2658 28.6078 179.1846 172 A 4.0149 7.9890 120.1216 54.8684 18.5188 178.8356 173 A 4.1234 7.9423 116.7831 51.9665 19.0967 176.8519 174 N 4.1658 7.9798 113.6827 54.4983 36.6824 174.2405 175 V 4.6851 7.8510 116.9081 60.8003 34.0653 175.1871 176 D 4.6656 8.9449 126.9901 54.8226 42.2394 174.8015 177 F 5.1126 8.9423 123.5528 56.3249 42.6124 174.0399 178 G 4.0533 7.9540 113.3589 44.1093 0.0000 171.8600 179 L 4.6097 8.5105 129.4227 54.4903 43.5763 175.9628 180 A 3.4436 8.4856 129.6495 50.2696 17.1644 177.5125 181 V 3.5598 8.2570 121.9586 65.7053 31.8381 177.3363 182 W 4.3093 8.0444 116.4264 58.3163 29.0576 177.3024 183 G 3.6560 7.0166 108.2490 45.9568 0.0000 173.8460 *185 D 4.3736 8.7648 116.7059 52.8824 43.0117 173.7883 186 P 4.3484 0.0000 0.0000 65.9387 32.0489 178.0834 187 N 4.5124 8.3376 116.1298 55.9246 38.2929 176.9961 188 A 4.0991 8.7357 122.6383 55.3027 18.1744 179.1065 189 D 4.2214 7.5188 113.9691 57.0375 41.2986 177.2253 190 H 4.6938 7.8790 116.7851 56.0680 29.5797 176.0358 191 Q 4.2448 6.9537 119.4900 53.8172 28.8162 181.1687 192 K 4.1793 8.3623 121.8115 56.3174 32.7462 176.6201 193 V 4.5832 7.9181 117.7693 59.2755 35.8375 175.3050 194 A 4.1690 8.3559 122.9437 55.2060 18.7242 178.0313 195 H 4.7138 7.7944 110.2529 54.2614 33.6311 172.9743 196 R 4.4811 8.0938 119.7907 54.2266 33.2156 174.8661 197 F 4.9753 8.7229 123.0305 55.8986 40.7994 176.5612 198 Q 4.1626 9.2971 124.3738 58.2322 29.1304 176.8017 199 K 4.7199 8.6152 115.0398 53.3773 36.2043 175.1641 200 P 3.5349 0.0000 0.0000 65.6458 31.0510 178.8492 201 L 3.9982 7.5446 116.3613 57.0556 41.5187 178.8597 202 D 4.4776 8.1076 119.2292 57.0213 40.6636 178.4030 203 I 2.9990 7.3791 120.6073 64.1330 36.9038 178.1937 204 L 4.2735 7.8407 119.5353 57.5476 41.1397 179.2098 205 E 4.0204 7.8933 117.8815 58.9574 29.3992 178.7761 206 L 3.9376 7.7278 118.0031 56.2701 41.5550 177.0331 207 F 4.5257 7.8960 122.4079 57.5294 39.5930 174.6895 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 2 T 8.17 3.89 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 1.32 0.00 0.00 3 Y 8.21 4.44 0.00 3.31 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 4 Q 9.62 4.56 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 5 A 8.08 5.22 1.24 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 0.00 0.00 0.00 6 L 8.50 5.23 0.00 1.66 1.15 1.05 0.86 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 *8 F 8.31 5.01 0.00 3.24 3.18 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 9 D 8.87 5.07 0.00 2.67 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 10 I 8.55 4.31 2.00 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 1.57 0.84 1.06 0.00 0.00 11 D 7.97 4.84 0.00 2.59 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.64 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.75 4.47 4.58 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 1.45 0.00 0.00 14 L 8.87 4.28 0.00 1.86 1.73 1.01 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.87 4.92 4.33 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 1.29 0.00 0.00 16 N 8.21 4.57 0.00 1.44 2.40 0.00 0.00 7.12 8.37 0.00 0.00 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 S 7.88 4.67 0.00 4.35 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 18 Q 7.62 3.34 0.00 1.02 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.91 0.00 0.00 0.00 0.00 0.00 2.25 1.88 0.00 19 P 0.00 4.23 0.00 2.21 2.10 0.00 3.71 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 2.09 2.13 0.00 20 A 8.04 4.15 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 21 Y 8.31 4.29 0.00 3.32 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 22 T 8.17 4.33 4.51 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 1.31 0.00 0.00 23 T 7.81 4.08 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 1.14 0.00 0.00 24 V 7.64 3.64 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.64 0.00 0.00 *26 R 7.94 4.18 0.00 2.21 2.13 0.00 3.29 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 27 E 7.99 3.85 0.00 2.07 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 2.26 0.00 28 V 7.67 3.58 1.62 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 -0.07 0.00 0.00 0.71 0.00 0.00 29 L 7.83 4.23 0.00 1.68 1.92 0.41 0.81 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 30 A 8.03 4.09 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 31 T 7.87 4.10 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 1.12 0.00 0.00 32 Y 7.73 4.42 0.00 3.21 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 33 G 8.09 3.98 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 0.00 0.00 0.00 34 K 8.05 4.67 0.00 1.82 1.78 0.00 1.83 0.00 0.00 1.89 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.71 7.81 35 P 0.00 4.64 0.00 2.25 2.14 0.00 3.83 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 2.05 2.00 0.00 36 F 8.27 4.86 0.00 2.84 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.27 4.36 0.00 4.03 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 38 P 0.00 4.05 0.00 2.12 2.11 0.00 3.55 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 2.08 2.13 0.00 39 A 7.90 3.94 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 40 Q 7.94 3.90 0.00 1.93 2.09 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119 P 0.00 4.36 0.00 2.08 2.13 0.00 3.83 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 120 F 7.28 4.03 0.00 2.78 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 *123 R 8.21 3.97 0.00 2.00 2.06 0.00 3.41 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 *125 A 7.96 4.60 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 0.00 126 V 7.47 4.65 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.95 0.00 0.00 127 T 8.50 5.09 4.28 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 1.23 0.00 0.00 128 I 9.00 4.69 1.88 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 1.29 1.06 0.97 0.00 0.00 129 S 9.67 5.31 0.00 4.10 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 A 8.69 4.05 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 D 7.95 4.61 0.00 2.75 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 0.00 132 D 8.02 4.83 0.00 2.80 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 0.00 133 T 7.37 4.73 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 0.00 134 P 0.00 4.56 0.00 2.21 2.20 0.00 3.71 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 1.99 1.99 0.00 135 K 7.62 4.75 0.00 1.68 1.71 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.51 7.81 136 R 8.01 4.74 0.00 1.79 1.78 0.00 3.31 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 137 K 8.66 4.38 0.00 1.77 1.83 0.00 2.05 0.00 0.00 1.96 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.50 1.51 7.81 138 P 0.00 5.21 0.00 2.20 2.35 0.00 3.86 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 2.04 1.89 0.00 139 D 7.90 4.45 0.00 2.69 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 0.00 140 P 0.00 4.39 0.00 2.29 2.26 0.00 3.76 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 2.06 2.01 0.00 141 L 8.31 3.89 0.00 1.87 1.73 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 4.23 0.00 2.16 2.07 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.31 0.00 143 L 7.67 3.73 0.00 1.37 1.65 0.45 0.36 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 0.00 144 L 8.07 4.03 0.00 1.70 1.68 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.33 3.86 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 1.21 0.00 0.00 146 A 7.83 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.95 3.96 0.00 1.71 1.98 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.32 3.96 0.00 2.28 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 2.31 2.22 0.00 149 K 8.00 4.11 0.00 1.96 1.87 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.62 7.81 150 V 7.30 4.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.05 0.00 0.00 151 N 7.85 4.17 0.00 2.88 2.86 0.00 0.00 6.58 7.39 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 0.00 152 V 7.77 4.38 2.12 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 0.84 0.00 0.00 1.04 0.00 0.00 153 A 8.42 4.28 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 0.00 154 P 0.00 4.29 0.00 2.21 2.28 0.00 3.62 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 155 Q 8.15 4.16 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.35 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 156 N 8.64 5.16 0.00 2.82 2.91 0.00 0.00 6.47 7.69 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 0.00 157 A 8.09 5.39 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 0.00 158 L 8.37 4.54 0.00 0.27 0.92 0.72 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 159 F 9.00 4.95 0.00 3.03 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 0.00 160 I 7.15 4.61 1.36 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.13 0.89 0.00 0.00 161 G 6.97 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 D 8.19 5.00 0.00 2.52 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 S 7.71 4.71 0.00 4.04 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 V 8.14 3.71 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 1.04 0.00 0.00 0.87 0.00 0.00 165 S 7.95 4.05 0.00 3.88 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 D 8.18 4.56 0.00 2.84 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 0.00 167 E 7.65 2.92 0.00 1.81 1.56 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 1.47 1.47 0.00 168 Q 8.46 3.95 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 169 T 8.46 4.18 4.67 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 1.23 0.00 0.00 170 A 8.27 4.12 1.72 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 0.00 0.00 0.00 0.00 0.00 0.00 171 Q 8.23 3.93 0.00 2.33 2.16 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 2.38 2.26 0.00 172 A 7.99 4.01 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 0.00 173 A 7.94 4.12 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 N 7.98 4.17 0.00 2.92 2.93 0.00 0.00 6.67 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 0.00 175 V 7.85 4.69 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.00 0.00 0.00 176 D 8.94 4.67 0.00 2.90 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 0.00 177 F 8.94 5.11 0.00 3.10 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 G 7.95 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 L 8.51 4.61 0.00 1.80 1.41 1.11 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 180 A 8.49 3.44 0.02 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 0.00 0.00 181 V 8.26 3.56 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 0.84 0.00 0.00 0.89 0.00 0.00 182 W 8.04 4.31 0.00 3.19 3.39 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 0.00 183 G 7.02 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *185 D 8.76 4.37 0.00 2.94 2.57 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 0.00 186 P 0.00 4.35 0.00 2.21 2.17 0.00 3.57 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 2.00 2.11 0.00 187 N 8.34 4.51 0.00 2.89 2.89 0.00 0.00 7.00 8.08 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 0.00 188 A 8.74 4.10 1.24 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 0.00 0.00 0.00 189 D 7.52 4.22 0.00 2.78 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 0.00 190 H 7.88 4.69 0.00 3.30 3.27 0.00 5.70 0.00 0.00 0.00 0.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 Q 6.95 4.24 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.16 0.00 192 K 8.36 4.18 0.00 1.94 1.72 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.42 1.03 7.81 193 V 7.92 4.58 2.39 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 0.85 0.00 0.00 0.97 0.00 0.00 194 A 8.36 4.17 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 0.00 195 H 7.79 4.71 0.00 2.55 2.34 0.00 5.56 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 0.00 196 R 8.09 4.48 0.00 1.50 1.68 0.00 3.09 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 197 F 8.72 4.98 0.00 3.23 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 0.00 198 Q 9.30 4.16 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 199 K 8.62 4.72 0.00 1.79 1.82 0.00 1.45 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.27 7.81 200 P 0.00 3.53 0.00 1.65 1.46 0.00 3.01 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.44 0.00 201 L 7.54 4.00 0.00 1.58 1.63 0.83 0.98 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 0.00 202 D 8.11 4.48 0.00 3.02 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 0.00 203 I 7.38 3.00 1.68 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.07 0.76 0.00 0.00 204 L 7.84 4.27 0.00 1.79 1.77 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 205 E 7.89 4.02 0.00 2.11 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 2.37 2.38 0.00 206 L 7.73 3.94 0.00 0.33 0.96 0.88 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 0.00 207 F 7.90 4.53 0.00 3.01 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 * Residues marked with a * may have inaccurate shift predictions.