NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 F 4.7674 8.3093 119.0073 55.9272 41.0797 176.3416 2 P 4.8990 0.0000 0.0000 61.7448 29.5808 178.0159 3 T 4.5957 8.5540 102.1035 60.0577 72.0541 173.9634 4 I 4.0123 8.1417 124.4660 59.3800 38.8889 173.7376 5 P 4.2686 0.0000 0.0000 63.8721 31.4021 176.4773 6 L 4.4953 8.4973 120.4886 54.6262 41.7063 178.1178 7 S 4.4856 7.9673 114.1669 59.9560 62.8188 175.0611 8 R 4.1099 7.7128 122.2806 57.9557 31.1809 177.6087 9 L 3.9690 7.6435 118.4500 57.4845 41.6831 179.2789 10 F 4.3498 8.0878 117.8190 60.7782 38.7857 177.6079 11 D 4.6808 7.8781 118.0207 57.1010 40.1341 178.2062 12 N 4.3741 8.0450 115.9544 54.8226 38.7751 177.3405 13 A 3.9627 7.9107 122.5294 55.2733 19.2103 179.4393 14 M 4.1110 8.6495 116.9943 57.6349 31.9492 178.6878 15 L 4.1155 7.4418 120.5396 57.7411 42.4728 178.4094 16 R 3.8971 7.4180 117.4420 59.3788 29.9865 178.8763 17 A 3.8998 8.0319 120.0763 55.5786 18.4760 179.0265 18 H 4.6837 7.7439 116.8921 58.6875 29.6758 177.4056 19 R 3.7759 8.0092 120.4694 59.2347 30.0889 177.9606 20 L 3.8480 7.9354 119.0412 58.2770 41.7061 179.1597 21 H 3.8826 8.2186 117.7966 59.4132 29.6950 177.1138 22 Q 4.1582 7.8430 120.7727 58.3647 28.7282 177.9400 23 L 4.0837 7.8908 121.5340 57.8814 42.3243 178.0189 24 A 4.1229 8.2112 121.0310 55.3920 18.1656 179.0974 25 F 4.0800 8.6418 118.8943 61.8891 39.4236 177.1165 26 D 4.3086 8.0155 117.1304 57.5264 40.5816 178.9687 27 T 3.9876 8.2412 110.4333 65.0264 68.6982 175.6945 28 Y 4.0158 8.2011 122.4348 60.2859 38.8510 177.5344 29 Q 3.8259 8.3281 120.3452 59.4077 28.8996 178.9519 30 E 3.8688 8.0964 118.5212 59.2771 30.1658 177.9468 31 F 4.2845 8.6442 120.9720 61.4987 39.4356 176.3356 32 E 3.8540 8.6167 119.3584 59.1580 29.1680 178.3518 33 E 4.2523 7.7151 114.4277 56.7682 31.2201 177.1071 34 A 4.1988 7.7092 121.1012 54.2272 21.9237 177.4850 35 Y 4.5390 7.7843 108.4693 57.4290 39.3344 176.0919 36 I 4.1883 7.5299 121.4946 58.1416 38.8441 173.7273 37 P 4.5303 0.0000 0.0000 61.9954 33.8710 177.3775 38 K 3.4169 8.4282 122.4403 60.2989 30.6738 177.4335 39 E 3.9972 8.1281 118.2129 60.3603 29.4137 179.6387 40 Q 4.1115 7.7878 116.8693 58.2937 28.8722 178.4798 41 K 3.9716 7.6509 121.2744 59.8417 32.2970 178.3781 42 Y 4.5665 7.5818 116.8888 61.2056 37.5591 178.9953 43 S 4.1722 7.6950 114.2232 61.5856 63.3403 175.9794 44 F 4.3348 8.3780 123.1405 61.6431 38.9143 177.1431 45 L 3.8375 8.4540 117.3258 57.9413 41.5810 179.4297 46 Q 4.4563 8.8252 119.1375 57.4672 29.1135 176.6854 47 N 4.7953 7.8116 117.9838 49.3206 38.1868 178.7820 48 P 4.8278 0.0000 0.0000 64.1863 31.4169 178.4241 49 Q 4.5419 7.8612 116.9520 55.2697 27.9928 180.7510 50 T 4.8612 7.3100 108.6050 64.0187 75.5814 175.1109 51 S 2.8772 7.9705 116.6135 58.6661 63.4786 173.4120 52 L 4.8605 7.1974 123.1782 54.1902 42.7663 174.8504 53 C 5.2229 8.5597 122.7287 54.6523 42.0732 174.1619 54 F 4.3199 8.9133 117.6465 60.2312 37.4574 177.3637 55 S 4.1730 6.3850 112.5020 58.5908 62.2140 173.9967 56 E 4.6097 8.0461 118.1917 56.8755 29.5508 176.9686 57 S 4.3941 7.9990 115.0399 59.2639 63.9074 174.3441 58 I 4.1755 7.5224 114.7325 58.0069 36.2491 171.2605 59 P 4.1310 0.0000 0.0000 63.5777 30.4504 176.2572 60 T 4.3593 8.0373 113.3260 59.4494 70.8122 172.6420 61 P 4.7100 0.0000 0.0000 62.0511 32.4917 176.2537 62 S 4.7611 8.0778 110.0557 57.4681 64.0058 173.3192 63 N 4.2977 8.2732 114.5651 52.9737 38.3492 174.5476 64 R 3.4607 7.5212 117.5498 59.3538 31.2807 177.4884 65 E 3.8873 8.1546 120.3618 59.6562 30.0149 178.7309 66 E 4.1311 7.8992 115.6532 59.7321 29.8679 179.0130 67 T 4.0732 8.1555 115.4949 66.3607 68.6572 175.3239 68 Q 4.7777 8.0441 119.6997 56.0021 28.6823 176.1241 69 Q 4.5712 7.8312 114.4153 55.7714 29.1173 174.2735 70 K 4.5128 7.9535 118.0946 55.0685 34.3686 177.1227 71 S 4.2669 8.5372 119.2117 58.2490 64.4844 174.5628 72 N 4.2428 8.8717 122.5087 56.9290 38.1523 177.0453 73 L 4.1150 8.0712 117.8550 58.4230 42.0353 178.5359 74 E 3.5868 8.1042 118.4332 59.7725 29.5510 178.7252 75 L 3.6461 8.0867 118.1708 58.1058 41.6914 179.6706 76 L 4.2467 8.2099 117.7458 56.6442 41.5910 179.4074 77 R 3.9955 8.4758 119.9535 59.2767 30.1064 178.1956 78 I 3.6674 7.5207 119.0964 64.7053 37.0503 178.5120 79 S 4.3006 8.0609 115.3825 61.1311 62.6107 176.5415 80 L 3.9599 7.6115 123.1619 58.0851 41.9119 178.9324 81 L 4.0415 7.9976 118.7746 58.0454 41.7297 179.3862 82 L 4.2498 8.1501 118.7568 58.1779 41.3270 179.8650 83 I 3.9256 7.5472 118.4516 64.5831 37.2901 178.2380 84 Q 4.0732 8.1874 118.9481 58.8284 28.2479 178.6817 85 S 4.7927 8.6712 115.7479 61.7132 63.3329 176.2013 86 W 4.4213 8.2507 118.3710 57.0754 28.5201 178.3077 87 L 4.3042 8.1290 121.3052 58.1132 41.2938 178.5990 88 E 3.9377 8.3168 118.7267 58.5275 29.8038 176.7512 89 P 3.7352 0.0000 0.0000 65.5457 30.0112 178.5285 90 V 3.7730 7.5089 109.7417 64.4679 31.1319 178.3786 91 Q 3.8318 8.2057 118.3998 59.7854 28.7779 178.9019 92 F 4.4704 7.5014 118.6822 60.2103 38.9121 177.8421 93 L 3.7729 8.7241 121.0868 59.1962 41.5034 181.9547 94 R 3.7572 8.4111 120.0284 60.2374 29.6734 182.6382 95 S 4.3377 7.9629 114.3181 61.4172 63.5842 176.0104 96 V 3.7310 7.8705 122.3296 65.6524 31.0334 177.6069 97 F 4.4763 8.0934 116.6330 60.5699 38.6744 177.8386 98 A 4.7730 8.3832 118.7343 52.3071 19.3787 177.4756 99 N 4.9224 7.9744 116.0312 54.8216 42.0142 174.5875 100 S 4.6791 7.9904 112.1895 58.3381 64.3413 173.1522 101 L 4.8180 8.0661 121.5537 55.0437 42.6485 176.8429 102 V 4.2176 7.5697 119.4223 61.0958 32.6168 175.0476 *103 Y 4.3138 8.3989 126.1341 59.1899 34.9666 170.8052 104 G 3.3515 8.4538 116.2646 44.2536 0.0000 171.6420 105 A 4.1286 8.0706 125.8814 51.7757 19.1103 177.0692 106 S 4.7065 7.8994 114.5782 56.4638 65.3422 176.5818 107 D 4.4497 8.7025 128.4558 57.4264 38.8123 178.9120 108 S 4.1655 8.2067 116.7579 60.7315 62.9104 175.8949 109 N 4.0870 8.0916 118.8369 57.1292 38.7755 176.9278 110 V 3.6030 7.7480 119.2858 65.6794 31.5628 177.2612 111 Y 4.3036 8.1125 119.4695 61.0680 38.6108 177.9436 112 D 4.0896 8.4508 119.9458 57.3885 40.4698 178.8628 113 L 4.0464 7.9296 119.1039 57.3108 41.6252 179.2353 114 L 4.2302 7.7497 118.7430 56.8903 42.1107 179.1460 115 K 4.0485 7.9266 118.8369 59.4496 31.8778 178.3280 116 D 4.2506 8.4161 119.2521 57.0583 41.1247 177.8097 117 L 3.9551 7.9111 120.1794 58.0610 41.9024 179.0024 118 E 3.8549 8.0234 118.9528 59.3933 29.6958 178.4788 119 E 4.1045 8.0158 118.1766 59.5473 29.6666 179.4736 120 R 3.8881 7.9666 117.9035 59.4842 30.1411 179.1333 121 I 3.6937 7.6987 119.1148 64.5650 37.0764 178.2667 122 Q 4.0306 7.7222 118.7518 59.4961 28.4880 179.5274 123 T 3.8172 7.7022 115.8437 66.7832 68.4638 176.7924 124 L 3.8832 7.6597 120.2270 57.7810 41.2874 179.5090 125 M 4.1804 8.2359 118.8463 58.1792 31.9492 178.7074 126 G 3.7311 8.0688 104.9812 48.5147 0.0000 175.4431 127 R 4.1739 8.2183 121.8721 58.0296 29.8699 178.3295 128 L 4.2751 8.1242 117.5845 55.9237 41.7269 177.9583 129 E 4.1781 8.0361 120.1414 56.7929 27.3406 175.6542 130 D 4.4741 8.1915 124.7700 52.8198 39.3257 173.9441 131 G 3.8033 6.6653 111.9253 44.4910 0.0000 171.9001 132 S 3.5339 6.8755 115.9182 55.3623 61.7697 171.3581 133 P 4.1656 0.0000 0.0000 63.0939 30.8563 177.8798 134 R 2.9859 8.2131 122.1972 56.0286 29.1747 176.9897 135 T 4.2967 7.7578 113.8265 60.5037 68.1374 173.2504 136 G 4.2833 8.2085 116.8245 43.7632 0.0000 173.0107 137 Q 3.9667 8.3031 121.0480 60.3329 27.7870 174.9776 138 I 3.8257 7.6319 120.4209 63.7251 37.7227 177.7215 139 F 4.5370 7.6582 120.0513 60.1674 38.8662 177.4212 140 K 4.4230 8.0136 121.1233 55.8600 32.2823 180.1968 141 Q 4.7129 7.0760 119.7702 55.3843 30.2909 175.7550 142 T 4.5379 8.2261 115.4889 60.9206 71.2837 174.7761 143 Y 4.7801 8.9107 125.1884 57.3437 37.7309 175.0089 144 S 4.6060 8.6588 116.1048 57.2673 66.9306 173.8198 145 K 4.4720 8.3303 123.4264 52.5422 34.7744 175.5404 146 F 4.9504 7.9455 118.5657 57.2734 43.1655 172.1936 147 D 3.7254 7.9121 127.7484 55.9689 39.7643 178.0782 *154 D 4.5344 8.7503 125.6979 54.1683 41.0681 174.8721 155 A 4.5325 8.2974 115.2059 54.3120 21.2888 178.5800 156 L 3.9361 7.9843 116.4726 58.6343 42.1394 178.7021 157 L 4.1214 8.5266 120.2408 57.6077 42.0884 178.7300 158 K 4.2271 7.8862 118.8712 59.6848 32.5007 177.8339 159 N 4.2150 8.7409 116.8901 56.6542 38.7324 176.9008 160 Y 3.5728 7.5445 120.3947 59.6986 38.8156 178.5020 161 G 3.6669 8.2355 107.3096 47.8266 0.0000 175.7564 162 L 4.2472 7.9122 121.8645 57.7445 41.6238 179.4674 163 L 4.1139 8.1824 119.1796 58.1472 41.5036 179.1921 164 Y 3.6689 7.6994 118.7871 60.8930 38.7787 177.5189 165 C 4.2679 8.2433 117.0105 59.6512 36.7306 175.4258 166 F 2.8222 8.4995 122.6835 61.0333 38.5392 176.8862 167 R 3.5339 7.4983 117.8627 59.2396 29.4058 178.2881 168 K 3.6274 7.3576 118.9227 59.6207 32.0944 178.4873 169 D 4.2851 8.3874 119.2183 57.6947 40.8214 178.7752 170 M 3.7816 8.0740 119.1918 57.9519 31.6915 178.3194 171 D 3.7922 7.3543 118.4163 56.6017 41.2613 178.3056 172 K 3.2802 7.2567 118.5983 59.3950 32.0967 178.9611 173 V 3.6028 7.7287 118.3948 66.3845 30.9708 177.5831 174 E 3.9155 8.1641 118.6961 59.3652 29.1577 178.9312 175 T 3.7311 7.3792 114.8858 65.8786 68.8829 176.7411 176 F 4.6897 8.1083 120.2973 60.3509 38.9128 177.5473 177 L 4.1010 8.0630 118.7612 58.0652 41.4858 179.3970 178 R 3.9898 7.5640 118.0289 59.7789 29.1971 178.5411 179 I 3.7342 7.6187 119.4073 63.6062 36.5746 178.5265 180 V 3.8241 7.4006 120.3115 65.2759 31.6217 177.0345 181 Q 2.7695 8.0241 119.3290 59.2093 28.4543 177.6168 182 C 4.0209 8.0277 117.4695 60.1088 40.5470 175.9681 183 R 4.2931 7.0215 114.3260 56.4299 29.2878 176.7790 184 S 4.4246 7.4682 112.7712 58.6292 64.6457 173.9140 185 V 4.2014 7.8757 122.0663 60.0928 31.1678 173.9544 186 E 3.9775 8.3856 124.9084 57.3421 29.9942 177.8766 187 G 3.9345 8.8325 109.9593 45.6205 0.0000 174.2733 188 S 4.3110 7.5747 113.6031 60.1301 63.4473 174.5164 189 C 4.8777 7.6749 116.6741 57.2426 40.5545 173.2188 190 G 3.8190 7.9802 107.6396 44.9705 0.0000 174.6664 191 F 3.9248 7.9218 119.9779 57.6708 39.0071 175.7764 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 F 8.31 4.77 0.00 2.32 2.17 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 2 P 0.00 4.90 0.00 2.25 1.24 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 1.97 2.01 0.00 3 T 8.55 4.60 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 1.21 0.00 0.00 4 I 8.14 4.01 1.86 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 1.47 1.08 0.90 0.00 0.00 5 P 0.00 4.27 0.00 2.23 2.09 0.00 3.81 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 2.00 2.02 0.00 6 L 8.50 4.50 0.00 1.89 1.53 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.97 4.49 0.00 4.10 4.18 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 8 R 7.71 4.11 0.00 1.88 1.91 0.00 3.17 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 9 L 7.64 3.97 0.00 1.44 1.45 0.83 1.02 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 10 F 8.09 4.35 0.00 3.13 3.37 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 11 D 7.88 4.68 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.05 4.37 0.00 2.99 2.84 0.00 0.00 6.75 8.50 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 13 A 7.91 3.96 1.42 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 14 M 8.65 4.11 0.00 2.00 2.29 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.90 0.00 15 L 7.44 4.12 0.00 1.99 1.64 0.90 0.88 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 16 R 7.42 3.90 0.00 2.17 1.97 0.00 3.28 0.00 0.00 3.55 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 17 A 8.03 3.90 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 18 H 7.74 4.68 0.00 3.45 3.60 0.00 5.83 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.01 3.78 0.00 1.99 2.11 0.00 3.39 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 20 L 7.94 3.85 0.00 1.77 1.52 0.90 1.26 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 21 H 8.22 3.88 0.00 3.09 3.27 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 7.84 4.16 0.00 1.98 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 23 L 7.89 4.08 0.00 1.99 1.69 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.21 4.12 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 8.64 4.08 0.00 2.91 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 26 D 8.02 4.31 0.00 2.95 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 27 T 8.24 3.99 4.32 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 1.65 0.00 0.00 28 Y 8.20 4.02 0.00 3.14 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 29 Q 8.33 3.83 0.00 1.94 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.55 0.00 30 E 8.10 3.87 0.00 2.22 2.21 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 2.37 2.35 0.00 31 F 8.64 4.28 0.00 3.14 3.07 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 32 E 8.62 3.85 0.00 1.68 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 33 E 7.72 4.25 0.00 2.09 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 2.45 2.26 0.00 34 A 7.71 4.20 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 7.78 4.54 0.00 2.31 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 36 I 7.53 4.19 1.42 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.10 0.28 0.00 0.00 37 P 0.00 4.53 0.00 2.15 2.08 0.00 3.59 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 1.97 1.92 0.00 38 K 8.43 3.42 0.00 1.78 1.90 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.14 7.81 39 E 8.13 4.00 0.00 1.92 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 2.36 2.35 0.00 40 Q 7.79 4.11 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 41 K 7.65 3.97 0.00 1.65 1.55 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.15 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.67 1.68 7.81 42 Y 7.58 4.57 0.00 3.07 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 7.69 4.17 0.00 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 0.00 44 F 8.38 4.33 0.00 3.26 3.46 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 45 L 8.45 3.84 0.00 1.78 1.80 1.19 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 8.83 4.46 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 47 N 7.81 4.80 0.00 2.63 2.71 0.00 0.00 6.59 7.15 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 48 P 0.00 4.83 0.00 2.18 2.30 0.00 3.84 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.91 0.00 49 Q 7.86 4.54 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.27 1.91 0.00 50 T 7.31 4.86 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 1.32 0.00 0.00 51 S 7.97 2.88 0.00 3.56 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 52 L 7.20 4.86 0.00 1.59 1.72 0.95 0.93 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 53 C 8.56 5.22 0.00 2.81 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.91 4.32 0.00 3.35 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 55 S 6.39 4.17 0.00 3.95 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 56 E 8.05 4.61 0.00 2.08 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 2.25 2.30 0.00 57 S 8.00 4.39 0.00 4.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.52 4.18 1.90 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 1.52 0.69 0.97 0.00 0.00 59 P 0.00 4.13 0.00 2.16 2.19 0.00 3.87 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 1.95 1.97 0.00 60 T 8.04 4.36 4.49 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 1.38 0.00 0.00 61 P 0.00 4.71 0.00 2.17 2.04 0.00 3.71 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.91 0.00 62 S 8.08 4.76 0.00 3.93 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 63 N 8.27 4.30 0.00 2.91 2.90 0.00 0.00 5.76 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.52 3.46 0.00 1.87 1.86 0.00 3.21 0.00 0.00 3.26 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 65 E 8.15 3.89 0.00 1.96 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 2.31 2.38 0.00 66 E 7.90 4.13 0.00 2.19 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 2.35 2.48 0.00 67 T 8.16 4.07 4.49 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 1.42 0.00 0.00 68 Q 8.04 4.78 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.41 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 69 Q 7.83 4.57 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.88 6.60 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 70 K 7.95 4.51 0.00 1.80 1.63 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.16 7.81 71 S 8.54 4.27 0.00 4.09 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 72 N 8.87 4.24 0.00 2.79 3.01 0.00 0.00 7.04 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.07 4.11 0.00 1.85 2.21 0.96 0.92 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 74 E 8.10 3.59 0.00 2.00 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 0.00 2.10 1.97 0.00 75 L 8.09 3.65 0.00 1.87 1.71 0.94 0.06 0.00 0.00 0.00 0.00 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117 L 7.91 3.96 0.00 1.80 1.66 0.93 0.89 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 0.00 118 E 8.02 3.85 0.00 2.24 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 0.00 2.28 2.33 0.00 119 E 8.02 4.10 0.00 2.20 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 2.32 0.00 120 R 7.97 3.89 0.00 1.99 1.95 0.00 3.26 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 121 I 7.70 3.69 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.81 0.98 0.00 0.00 122 Q 7.72 4.03 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 123 T 7.70 3.82 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 1.15 0.00 0.00 124 L 7.66 3.88 0.00 1.78 1.57 0.74 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 125 M 8.24 4.18 0.00 1.98 2.33 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.63 0.00 126 G 8.07 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 8.22 4.17 0.00 1.77 1.86 0.00 3.27 0.00 0.00 3.07 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 128 L 8.12 4.28 0.00 1.60 1.91 1.12 1.41 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 0.00 129 E 8.04 4.18 0.00 2.36 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 2.31 2.23 0.00 130 D 8.19 4.47 0.00 3.12 2.61 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 0.00 131 G 6.67 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 0.00 0.00 0.00 132 S 6.88 3.53 0.00 3.94 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 0.00 133 P 0.00 4.17 0.00 2.22 2.00 0.00 3.69 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 2.13 2.11 0.00 134 R 8.21 2.99 0.00 1.54 1.53 0.00 3.03 0.00 0.00 3.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.40 0.00 135 T 7.76 4.30 4.18 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 1.18 0.00 0.00 136 G 8.21 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 0.00 0.00 0.00 0.00 137 Q 8.30 3.97 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.84 0.00 0.00 0.00 0.00 0.00 2.36 1.98 0.00 138 I 7.63 3.83 1.70 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.65 0.47 0.00 0.00 139 F 7.66 4.54 0.00 3.36 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 0.00 140 K 8.01 4.42 0.00 1.85 1.70 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.34 1.30 7.81 141 Q 7.08 4.71 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 142 T 8.23 4.54 4.41 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 0.00 0.00 0.00 1.28 0.00 0.00 143 Y 8.91 4.78 0.00 3.22 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 0.00 144 S 8.66 4.61 0.00 4.18 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 0.00 145 K 8.33 4.47 0.00 1.74 1.56 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.71 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 0.95 7.81 146 F 7.95 4.95 0.00 1.64 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 0.00 147 D 7.91 3.73 0.00 2.30 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 0.00 0.00 0.00 *154 D 8.75 4.53 0.00 2.83 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 0.00 155 A 8.30 4.53 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 0.00 156 L 7.98 3.94 0.00 1.78 1.87 0.66 0.57 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 0.00 157 L 8.53 4.12 0.00 2.20 1.73 1.02 0.92 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 0.00 158 K 7.89 4.23 0.00 2.06 2.01 0.00 1.90 0.00 0.00 1.92 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.72 1.60 7.81 159 N 8.74 4.21 0.00 2.67 2.64 0.00 0.00 6.76 7.50 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 0.00 160 Y 7.54 3.57 0.00 2.52 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 0.00 161 G 8.24 3.67 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 0.00 162 L 7.91 4.25 0.00 1.98 1.91 0.58 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 163 L 8.18 4.11 0.00 1.44 1.89 0.70 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 164 Y 7.70 3.67 0.00 2.83 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 0.00 165 C 8.24 4.27 0.00 3.57 3.28 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 0.00 166 F 8.50 2.82 0.00 1.97 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 0.00 167 R 7.50 3.53 0.00 1.65 1.61 0.00 2.96 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 168 K 7.36 3.63 0.00 1.47 1.72 0.00 1.56 0.00 0.00 1.59 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.26 7.81 169 D 8.39 4.29 0.00 2.85 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 0.00 170 M 8.07 3.78 0.00 1.57 1.62 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.87 0.00 171 D 7.35 3.79 0.00 2.52 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 0.00 172 K 7.26 3.28 0.00 1.95 1.72 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.44 7.81 173 V 7.73 3.60 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 0.98 0.00 0.00 1.02 0.00 0.00 174 E 8.16 3.92 0.00 2.00 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 2.24 2.32 0.00 175 T 7.38 3.73 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 1.03 0.00 0.00 176 F 8.11 4.69 0.00 3.02 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 L 8.06 4.10 0.00 1.73 1.79 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 178 R 7.56 3.99 0.00 1.80 1.90 0.00 3.06 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 179 I 7.62 3.73 2.08 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 1.58 1.09 0.93 0.00 0.00 180 V 7.40 3.82 2.31 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 1.34 0.00 0.00 1.04 0.00 0.00 181 Q 8.02 2.77 0.00 1.57 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.48 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 182 C 8.03 4.02 0.00 2.89 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 0.00 183 R 7.02 4.29 0.00 2.12 1.98 0.00 2.99 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.73 0.00 184 S 7.47 4.42 0.00 4.06 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 0.00 185 V 7.88 4.20 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 1.04 0.00 0.00 1.15 0.00 0.00 186 E 8.39 3.98 0.00 2.08 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 0.00 2.27 2.24 0.00 187 G 8.83 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 0.00 188 S 7.57 4.31 0.00 4.00 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 0.00 189 C 7.67 4.88 0.00 2.89 3.05 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 0.00 190 G 7.98 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 0.00 0.00 0.00 191 F 7.92 3.92 0.00 3.14 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 * Residues marked with a * may have inaccurate shift predictions.