NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.6009 8.3027 118.9472 55.6488 32.0356 174.7259 4 L 5.0786 7.7994 122.1410 52.1674 44.9097 173.5033 5 R 4.7808 10.1964 126.2933 54.6700 35.4931 173.8134 6 I 4.6698 8.3711 123.4446 59.7538 38.5011 175.3207 7 L 4.4240 9.2556 128.8592 54.4996 43.0799 176.2839 8 R 4.8861 8.4918 121.8809 54.1970 32.0697 177.2835 9 A 2.0000 8.8835 127.1182 54.5037 18.5270 180.0835 10 V 3.6215 7.4878 113.9557 64.1090 31.4681 176.4880 11 D 4.7334 7.7380 119.0586 54.2937 41.2051 176.0004 12 Y 4.7862 7.4464 118.6496 57.3392 38.6364 174.0892 13 P 4.7123 0.0000 0.0000 62.6838 33.6696 174.5482 14 R 5.6330 8.3215 119.7171 52.9854 33.6511 172.0132 *16 P 4.2068 0.0000 0.0000 62.1534 32.4514 176.2776 17 W 4.6795 8.7012 120.2318 56.1512 29.8634 177.5701 18 K 3.9416 8.9373 123.0267 59.6838 31.7793 177.2782 19 N 4.6583 8.4765 113.8739 52.3431 37.4554 175.9138 20 G 4.0177 8.1804 105.6017 46.5980 0.0000 174.5147 21 A 4.2531 7.8952 119.9385 52.8464 19.8923 177.8286 22 G 2.6388 7.1516 100.2692 46.3839 0.0000 172.2808 23 S 4.6696 7.0635 112.5730 57.3299 66.9801 173.4921 24 T 5.1391 8.6549 117.2593 61.9416 72.1179 172.7811 25 E 5.4870 9.4188 125.5442 53.8567 31.6047 174.8174 26 E 4.1436 8.6924 126.6973 56.2347 29.9553 176.2346 27 I 3.2515 8.4519 128.5313 63.2438 37.9503 175.7894 28 A 4.6890 7.5406 120.7112 51.4051 22.3725 174.9177 29 R 4.2992 7.9668 114.5853 54.6964 31.8018 175.2806 30 D 3.4973 6.9127 120.8388 56.1228 39.5094 179.0217 *37 G 3.6662 7.8345 106.6997 44.2884 0.0000 172.6668 38 F 4.4896 7.6144 114.1181 56.3049 38.8612 175.1459 39 G 4.1321 10.5051 110.0433 47.8387 0.0000 173.7502 40 W 5.9070 7.8609 114.9359 55.6155 31.5549 173.7398 41 R 4.8071 9.0877 121.2321 54.7334 33.3571 173.2259 42 L 5.0119 9.0251 128.2467 53.3118 45.1056 175.1708 43 S 4.8394 8.4321 119.1144 57.3617 67.2449 172.5863 44 I 5.0809 8.6819 120.4737 59.4964 40.2851 174.8877 45 A 5.2397 9.4267 127.0798 50.3140 23.0406 174.2861 46 D 5.1460 8.8860 120.1897 52.4932 43.6405 175.7504 47 V 4.1865 8.8999 123.4868 61.2787 33.6114 175.6923 48 G 4.0170 9.0255 115.3410 46.3255 0.0000 172.9444 49 E 4.8972 7.9087 118.2705 54.3259 33.5994 175.3208 50 S 4.4125 8.7660 117.7730 58.2766 64.1060 173.8420 51 G 4.0035 7.8986 109.6443 46.3487 0.0000 171.9176 52 G 4.2109 8.4895 107.1687 45.6515 0.0000 173.2812 53 F 5.1812 8.5257 119.9054 55.2737 40.6307 176.5569 54 S 4.1603 8.3882 119.6374 58.1694 62.8689 173.8512 55 G 4.0106 8.2162 114.6443 45.2460 0.0000 173.9247 56 F 4.4904 8.4998 119.3057 54.0105 39.1069 173.4326 57 A 4.3466 8.1379 124.1853 53.9900 18.7355 178.6739 58 G 3.8033 9.7661 111.3402 45.5280 0.0000 172.7764 59 Y 4.6480 7.8929 117.3801 56.3559 40.8826 174.2560 60 Q 4.5748 8.6378 123.2427 54.5967 31.1918 174.5915 61 R 4.9064 8.3473 124.3642 54.3525 34.0936 174.8360 62 I 4.9921 8.4435 121.9385 59.8209 41.1644 174.1172 63 I 5.0755 9.3197 127.7326 59.4635 41.4139 174.3812 64 S 5.0604 9.0507 122.6725 56.8581 67.5016 173.7446 65 V 4.1311 8.4393 124.0025 62.8305 32.2386 175.9208 66 L 4.1968 9.0315 127.1928 56.2673 43.0891 176.2261 67 E 4.4804 8.0867 116.8742 55.9362 32.9593 174.1459 68 G 4.1792 8.8184 109.0573 44.3006 0.0000 174.5285 69 G 3.3395 8.2403 106.4624 46.7154 0.0000 174.1521 70 G 4.0095 7.2366 105.3775 44.7016 0.0000 171.6343 *72 R 4.1989 8.3377 118.3991 56.1762 31.7758 175.5078 73 L 4.8652 8.2449 125.8091 52.8647 44.5855 175.2587 74 R 4.8334 8.8550 124.6601 54.7537 32.0614 174.7647 75 V 4.6327 8.8216 127.9186 61.3905 33.6873 175.4474 76 D 4.5100 10.1342 130.3786 55.2832 39.0062 174.8859 77 G 3.9149 8.5388 107.1605 45.0889 0.0000 173.8513 78 A 4.3737 8.1104 124.0681 51.0881 19.4523 175.8574 79 E 4.7955 8.6116 123.6948 55.6249 30.3798 177.1043 80 S 4.4789 8.8380 120.1183 57.6656 64.3325 173.5964 81 A 4.3361 8.2484 122.3137 50.5241 19.4132 175.6748 82 P 4.1281 0.0000 0.0000 62.6622 31.9053 176.3400 83 L 4.4400 8.3429 122.7141 53.2705 42.7629 176.3679 84 R 4.5745 8.8779 123.4117 53.4263 32.6408 175.1342 85 A 3.8007 8.2764 120.4956 54.4859 18.2104 177.5232 86 R 2.5100 8.3331 120.7427 56.8275 27.9456 176.9672 87 Q 4.5362 7.2041 118.4254 53.7721 28.5970 175.2638 88 A 4.6773 8.4960 124.9592 51.5255 19.7596 176.3618 89 F 4.9428 9.5399 122.5048 56.5974 42.9445 173.1788 90 A 5.2939 8.0186 127.5935 50.5518 21.0537 175.5232 91 F 4.7736 8.2861 114.3750 55.7522 41.9469 173.2939 92 S 4.4837 8.7852 115.0141 57.8629 63.6216 175.0705 93 G 3.9721 9.4050 114.8822 47.2855 0.0000 174.8718 94 D 4.5989 8.0344 119.1735 55.7715 41.4312 177.3468 95 S 4.5547 7.6883 114.9740 58.2217 63.6688 173.2833 96 E 4.4601 9.4049 123.3734 55.8679 30.6835 175.8956 97 V 4.8460 8.3773 123.5923 61.2678 35.3310 173.2289 98 H 4.9517 8.8789 127.1137 54.3262 32.9255 171.5177 99 C 4.7388 8.3273 126.1409 57.8562 33.4599 172.1514 100 T 4.7847 8.5605 123.6026 61.5605 69.9664 174.2398 101 L 4.1459 8.5912 127.7715 54.6082 41.7024 177.7041 102 L 4.1062 8.7168 124.4908 57.9038 42.1492 177.5407 103 D 4.4730 7.8591 113.3397 52.7593 42.4030 174.4327 104 G 3.8508 8.1437 109.1660 43.6719 0.0000 170.4023 105 A 4.4939 8.1298 119.9693 52.4330 19.0086 176.8556 106 I 4.9733 8.7959 112.8497 59.3072 42.0925 173.9730 107 R 5.1909 8.6830 118.1025 54.7093 32.0460 174.2225 108 D 5.5417 9.5042 120.5567 52.5755 45.6080 174.2023 109 F 5.2709 9.4652 122.9460 56.6128 42.0657 173.8882 110 N 5.2916 8.7104 122.8982 51.1937 42.6927 172.8966 111 L 4.7874 8.5298 124.9226 53.1727 45.0420 175.0115 112 I 5.0704 8.4966 126.3204 59.6515 40.8020 174.0472 113 Y 5.6267 8.9294 123.6986 55.6398 42.2050 174.1875 114 A 4.5348 9.5287 123.9960 50.3367 18.6731 176.7081 115 P 4.5301 0.0000 0.0000 66.4685 31.4260 177.7566 116 R 4.3234 7.8614 115.2105 56.7808 30.1209 176.5590 117 R 4.6410 8.2561 116.7876 56.5333 33.3206 175.4779 118 H 5.2799 8.1992 113.8309 54.1680 32.9325 173.5232 119 R 4.6064 9.0574 121.1806 55.6330 31.9339 175.3379 120 A 4.9078 8.0231 121.4268 50.6226 22.4269 175.5040 121 R 4.5556 8.6081 119.2674 54.7213 34.1977 173.8139 122 L 4.9408 8.1892 126.1843 53.6659 45.3144 174.8827 123 Q 4.5394 8.8124 127.0306 54.4578 32.8035 173.4711 124 W 4.8126 8.9508 126.5720 56.6452 30.2817 175.7124 125 L 4.9645 9.6174 123.4525 53.1304 45.8392 175.3095 126 R 4.0961 8.1855 123.5354 54.3513 31.2216 175.7795 127 V 3.7499 8.5641 128.5692 62.7763 32.4397 174.7720 128 E 4.2629 8.8026 128.7559 55.9373 30.4276 175.1890 129 G 3.9126 10.3530 118.5628 44.2925 0.0000 170.5135 130 E 5.3338 7.4113 120.1197 54.5096 33.1921 173.9611 131 L 4.8857 8.7830 123.3021 55.0405 44.1899 173.7000 132 D 5.4270 8.6306 118.8680 52.5771 42.7930 173.6410 133 W 5.2825 8.7767 115.0430 56.0988 31.9626 172.7864 134 H 5.3659 9.1073 117.4805 54.3015 30.9085 173.7887 135 G 4.5385 9.2521 108.1131 45.9155 0.0000 173.4936 136 T 4.7645 8.6293 115.3640 62.6416 69.5767 174.9990 137 A 4.1417 8.1243 125.0769 52.7301 18.4636 178.0932 138 S 4.8496 8.8576 116.1048 60.2057 64.7801 174.0850 139 T 5.1733 8.2636 117.3048 61.4031 71.9638 172.8214 140 L 4.9067 9.0549 128.1073 53.0577 45.2929 174.8090 141 L 4.9335 8.8022 126.3968 52.9148 44.3788 175.2335 142 L 4.8172 8.7876 127.4128 53.2257 44.1473 174.5859 143 F 5.0602 8.9149 129.8687 57.0189 41.2079 174.0623 144 A 4.5701 8.0386 128.3222 50.6655 19.9364 177.4898 145 Q 3.9555 9.0589 125.3111 58.1445 29.8003 176.1281 146 Q 4.7307 7.8570 115.3987 53.5525 31.6395 174.8121 147 D 4.5296 8.2794 119.3230 55.6285 41.1025 176.0565 148 G 3.7108 8.6966 106.3076 46.7422 0.0000 172.9672 149 V 4.7493 7.5839 119.8054 60.8107 33.4768 174.2625 150 A 5.0735 9.0029 130.5852 50.6589 21.3421 175.3860 151 I 5.1083 8.6601 121.0153 59.1554 41.3935 174.4321 152 S 5.1590 9.2411 123.2567 56.3776 66.7197 172.5031 153 L 4.4346 8.2197 123.1852 53.5135 44.7899 176.4771 154 Q 3.3445 9.2958 126.2649 57.1019 26.6431 174.9360 155 G 3.7435 8.1426 103.5271 45.6124 0.0000 173.5486 156 Q 4.4375 7.6576 121.9844 53.0679 30.2118 173.1320 157 P 4.6250 0.0000 0.0000 63.3101 31.7722 176.3024 158 R 4.4361 9.2884 120.0067 55.3028 31.4640 174.3690 159 G 3.8335 7.4541 104.1271 43.7118 0.0000 172.2205 160 Q 5.0727 8.2363 119.0515 54.2545 32.5940 174.2542 161 L 4.8628 8.9108 122.9022 52.9333 44.9974 176.3324 162 A 4.7440 8.9625 124.9127 49.8686 21.6063 176.3309 163 A 3.9499 9.6485 123.0898 54.5615 18.5048 178.1588 164 H 4.0107 9.1067 119.0468 56.0279 27.4554 174.9077 165 D 4.9208 7.8337 120.2915 54.3947 42.6886 174.9205 166 C 5.1795 9.0865 119.9406 58.1114 35.3341 172.7505 167 L 4.6445 9.0818 129.2189 55.0232 43.4052 175.0319 168 C 5.1748 9.6603 125.5348 57.6888 34.6083 172.2447 169 A 5.3330 9.1464 128.9655 50.3039 21.0457 174.6341 170 E 4.9695 9.3667 122.1910 55.0872 33.4299 176.0761 171 G 3.9539 8.9451 108.3112 46.5495 0.0000 174.0036 172 L 4.2478 8.1293 120.0715 54.3429 42.2413 176.3986 173 Q 4.5256 8.5581 120.8303 55.2219 31.7141 176.3077 174 G 3.8744 8.7953 108.9037 44.1741 0.0000 171.9907 175 L 4.3666 8.1035 120.6305 54.9995 42.8019 176.0486 176 Q 4.5474 9.3294 125.3138 54.2447 32.0574 173.9670 177 H 4.7663 9.3707 124.3781 54.5202 31.4662 173.2323 178 W 4.8674 8.1926 126.6357 54.7832 31.2614 175.4369 179 R 5.0423 8.7714 123.9851 54.4766 33.2499 173.6763 180 L 5.4506 9.1237 125.8733 53.2029 45.1952 175.5785 181 T 5.2605 8.8630 111.6705 60.2204 72.3804 172.6396 182 A 4.9820 8.5022 123.7639 51.2370 22.4332 177.3517 183 H 4.4151 9.0311 119.6459 57.8667 29.2306 175.8702 184 E 4.7469 7.7662 116.7240 53.2679 32.2787 173.7678 185 P 5.0796 0.0000 0.0000 62.8289 32.1975 175.5932 186 A 4.7018 8.1057 123.2357 50.2973 22.8818 175.2576 187 W 4.9650 8.9752 121.9861 56.6434 30.7680 175.9029 188 V 5.0412 9.5218 116.4980 59.7842 36.2839 173.9228 189 C 4.4692 8.7914 122.4262 57.3408 33.9717 172.4350 190 A 4.7173 8.5203 129.1352 50.5828 20.2825 175.6659 191 V 4.4752 8.5196 123.4983 61.2621 34.1365 174.1733 192 E 5.0514 8.9254 127.6325 54.4739 32.6452 175.1299 193 L 5.1049 8.7090 123.0703 52.9911 46.0768 175.0692 194 D 5.1603 8.6732 120.6804 51.5422 45.3406 174.8002 195 S 5.0726 9.0417 120.9046 56.6622 62.9669 173.9466 196 L 4.0874 8.7037 126.0747 54.6772 41.0897 177.6232 197 G 3.7145 8.5555 109.4638 46.6030 0.0000 172.1151 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 3 E 8.30 4.60 0.00 2.11 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 0.00 2.29 2.36 0.00 4 L 7.80 5.08 0.00 1.78 1.59 1.01 0.77 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 5 R 10.20 4.78 0.00 1.79 1.79 0.00 3.21 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 6 I 8.37 4.67 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.59 0.94 0.00 0.00 7 L 9.26 4.42 0.00 1.89 1.89 1.11 0.87 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 8 R 8.49 4.89 0.00 1.81 1.74 0.00 3.32 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 9 A 8.88 2.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.49 3.62 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 0.70 0.00 0.00 0.90 0.00 0.00 11 D 7.74 4.73 0.00 2.80 2.78 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 12 Y 7.45 4.79 0.00 3.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.71 0.00 2.16 2.22 0.00 3.97 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 14 R 8.32 5.63 0.00 1.84 1.87 0.00 3.10 0.00 0.00 3.92 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 *16 P 0.00 4.21 0.00 2.28 2.08 0.00 3.86 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 1.94 2.03 0.00 17 W 8.70 4.68 0.00 3.45 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 18 K 8.94 3.94 0.00 1.73 1.90 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.54 7.81 19 N 8.48 4.66 0.00 3.04 3.11 0.00 0.00 6.14 7.35 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 20 G 8.18 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 0.00 0.00 0.00 21 A 7.90 4.25 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 22 G 7.15 2.64 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 23 S 7.06 4.67 0.00 3.77 3.72 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 24 T 8.65 5.14 4.44 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 1.25 0.00 0.00 25 E 9.42 5.49 0.00 2.05 1.97 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 2.47 2.13 0.00 26 E 8.69 4.14 0.00 1.91 1.79 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 2.16 2.16 0.00 27 I 8.45 3.25 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.13 0.91 0.00 0.00 28 A 7.54 4.69 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 29 R 7.97 4.30 0.00 1.39 1.64 0.00 2.97 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.35 0.00 30 D 6.91 3.50 0.00 2.52 1.54 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 *37 G 7.83 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 38 F 7.61 4.49 0.00 3.10 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 39 G 10.51 4.13 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 0.00 0.00 0.00 40 W 7.86 5.91 0.00 3.32 3.16 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 41 R 9.09 4.81 0.00 0.67 0.73 0.00 2.96 0.00 0.00 2.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.04 0.00 42 L 9.03 5.01 0.00 1.69 1.30 0.94 0.06 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 43 S 8.43 4.84 0.00 3.85 3.69 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 44 I 8.68 5.08 1.94 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.93 1.05 0.00 0.00 45 A 9.43 5.24 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 46 D 8.89 5.15 0.00 2.39 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 47 V 8.90 4.19 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 1.34 0.00 0.00 1.13 0.00 0.00 48 G 9.03 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 0.00 0.00 0.00 49 E 7.91 4.90 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 50 S 8.77 4.41 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4.51 0.00 2.79 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 77 G 8.54 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.11 4.37 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 79 E 8.61 4.80 0.00 1.83 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 2.28 0.00 80 S 8.84 4.48 0.00 3.37 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 81 A 8.25 4.34 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 82 P 0.00 4.13 0.00 2.01 1.95 0.00 3.62 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 83 L 8.34 4.44 0.00 1.59 1.53 0.45 0.88 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 84 R 8.88 4.57 0.00 1.80 1.76 0.00 3.11 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 126 R 8.19 4.10 0.00 0.67 1.13 0.00 2.53 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 127 V 8.56 3.75 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 0.86 0.00 0.00 0.97 0.00 0.00 128 E 8.80 4.26 0.00 1.78 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 2.03 2.28 0.00 129 G 10.35 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 E 7.41 5.33 0.00 1.94 1.78 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 2.21 2.41 0.00 131 L 8.78 4.89 0.00 1.87 1.74 1.24 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.63 5.43 0.00 2.82 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 0.00 133 W 8.78 5.28 0.00 3.47 3.35 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 0.00 134 H 9.11 5.37 0.00 3.08 3.26 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 G 9.25 4.54 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 0.00 0.00 0.00 136 T 8.63 4.76 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 0.00 137 A 8.12 4.14 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 0.00 138 S 8.86 4.85 0.00 3.98 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 0.00 139 T 8.26 5.17 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 1.01 0.00 0.00 140 L 9.05 4.91 0.00 1.53 1.22 0.81 -1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.80 4.93 0.00 1.33 1.43 -0.02 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.79 4.82 0.00 1.49 1.45 0.90 0.81 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 0.00 143 F 8.91 5.06 0.00 3.16 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 0.00 144 A 8.04 4.57 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 0.00 145 Q 9.06 3.96 0.00 2.47 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.66 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 146 Q 7.86 4.73 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 147 D 8.28 4.53 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.70 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 0.00 149 V 7.58 4.75 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 1.03 0.00 0.00 0.92 0.00 0.00 150 A 9.00 5.07 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.66 5.11 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 1.02 0.00 0.00 152 S 9.24 5.16 0.00 3.80 3.85 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 0.00 153 L 8.22 4.43 0.00 0.97 1.17 -0.55 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 154 Q 9.30 3.34 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.66 0.00 0.00 0.00 0.00 0.00 1.96 2.24 0.00 155 G 8.14 3.74 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 0.00 0.00 0.00 156 Q 7.66 4.44 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.90 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 157 P 0.00 4.63 0.00 2.06 1.97 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 158 R 9.29 4.44 0.00 1.88 1.96 0.00 3.31 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 159 G 7.45 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.24 5.07 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.63 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 161 L 8.91 4.86 0.00 1.59 1.46 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 162 A 8.96 4.74 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 0.00 163 A 9.65 3.95 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 0.00 164 H 9.11 4.01 0.00 3.33 3.79 0.00 5.68 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 D 7.83 4.92 0.00 2.73 2.71 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 0.00 166 C 9.09 5.18 0.00 3.31 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 0.00 167 L 9.08 4.64 0.00 1.77 1.46 1.03 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 168 C 9.66 5.17 0.00 3.04 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 A 9.15 5.33 1.44 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 0.00 0.00 170 E 9.37 4.97 0.00 1.87 1.94 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 2.46 2.40 0.00 171 G 8.95 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 0.00 172 L 8.13 4.25 0.00 2.05 1.81 1.39 0.95 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 0.00 173 Q 8.56 4.53 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.41 2.27 0.00 174 G 8.80 3.87 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 0.00 0.00 0.00 175 L 8.10 4.37 0.00 1.68 1.59 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 176 Q 9.33 4.55 0.00 1.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.55 0.00 0.00 0.00 0.00 0.00 2.15 2.39 0.00 177 H 9.37 4.77 0.00 2.91 2.99 0.00 5.57 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 W 8.19 4.87 0.00 1.78 1.93 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 0.00 179 R 8.77 5.04 0.00 1.66 1.58 0.00 2.96 0.00 0.00 3.58 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 180 L 9.12 5.45 0.00 1.66 1.56 1.12 0.41 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 0.00 181 T 8.86 5.26 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 1.19 0.00 0.00 182 A 8.50 4.98 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 0.00 183 H 9.03 4.42 0.00 3.13 3.36 0.00 5.84 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 E 7.77 4.75 0.00 1.91 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 185 P 0.00 5.08 0.00 1.84 1.86 0.00 3.68 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.90 0.00 186 A 8.11 4.70 1.19 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 0.00 0.00 0.00 0.00 0.00 187 W 8.98 4.96 0.00 3.41 3.32 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 0.00 188 V 9.52 5.04 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 0.76 0.00 0.00 1.00 0.00 0.00 189 C 8.79 4.47 0.00 1.23 1.77 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 0.00 190 A 8.52 4.72 0.79 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 0.00 0.00 191 V 8.52 4.48 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 0.62 0.00 0.00 0.81 0.00 0.00 192 E 8.93 5.05 0.00 1.75 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 2.17 2.07 0.00 193 L 8.71 5.10 0.00 1.19 1.27 -0.42 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 194 D 8.67 5.16 0.00 2.68 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 0.00 195 S 9.04 5.07 0.00 3.83 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 L 8.70 4.09 0.00 1.64 1.69 0.96 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 197 G 8.56 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 * Residues marked with a * may have inaccurate shift predictions.