NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3796 8.1585 120.3176 55.3537 34.4049 177.3795 2 A 3.8267 7.9104 121.6665 54.7773 18.4894 177.3713 3 N 4.4056 8.7478 112.1540 55.2960 39.7055 173.6288 4 C 4.7572 7.6274 115.1175 59.2963 29.0037 173.6989 5 E 4.1325 8.1266 121.1871 56.6474 30.3434 175.7866 6 R 5.1838 8.4883 123.6279 54.7317 33.9468 174.5076 7 T 4.7400 8.7500 115.7602 60.3338 71.8897 171.9451 8 F 5.2490 8.5884 128.3753 56.8151 41.4263 174.4616 9 I 4.7218 7.9786 126.1670 59.1691 40.6294 174.1306 10 A 4.6826 8.3327 128.3796 49.8856 21.9440 174.9592 11 I 4.5141 8.5349 124.5303 60.3542 38.4424 176.3398 12 K 4.4785 9.1628 127.5501 55.3269 33.1906 176.6075 13 P 4.5152 0.0000 0.0000 65.2644 31.0698 178.7151 14 D 4.5970 7.9746 117.8207 56.1286 39.3758 178.9577 15 G 3.5906 8.1581 107.4719 47.5850 0.0000 175.9584 16 V 3.6207 7.7423 120.2767 65.9674 31.5285 177.9720 17 Q 4.1090 8.0501 116.3920 58.6218 28.5655 178.0965 18 R 4.4500 7.7747 116.5249 55.0025 30.9372 176.4135 19 G 3.7892 7.8401 105.6974 47.3633 0.0000 174.6646 20 L 4.4030 7.6932 115.8285 54.0910 43.1648 179.3834 21 V 3.6562 7.9144 120.0395 66.0644 31.4839 178.0462 22 G 3.6221 7.9833 104.8391 47.9085 0.0000 175.1529 23 E 3.9961 8.0675 120.7699 59.1800 29.3339 179.4956 24 I 3.8250 7.7961 119.7028 64.5152 37.2219 178.5846 25 I 4.0846 7.9132 120.7470 64.2898 36.8686 178.3000 26 K 3.9858 8.3449 120.5497 59.6096 31.9346 178.8654 27 R 3.8172 7.8516 117.9193 59.4858 29.7341 179.0670 28 F 3.9408 7.7260 115.8888 59.9699 38.5681 177.8712 29 E 4.2424 8.3312 118.6163 59.6114 29.1847 179.4833 30 Q 4.0302 8.0765 116.0906 58.8829 28.6804 178.0294 31 K 3.9112 7.3174 119.9856 58.4119 32.2478 177.2513 32 G 3.9711 7.3847 104.6345 44.8684 0.0000 173.8332 33 F 5.0373 7.5093 118.5560 57.5289 40.0143 174.7551 34 R 4.7882 9.2958 122.9929 54.6189 31.8490 175.1650 35 L 3.1723 8.7053 128.8914 55.1995 42.2837 175.5787 36 V 4.1789 8.6140 125.6763 63.8001 34.0800 175.4609 37 G 4.0373 7.1732 105.8090 44.3292 0.0000 171.3107 38 L 5.2811 8.5532 123.7814 53.7614 45.2271 174.3822 39 K 4.7554 9.3358 124.6179 55.7538 36.4352 174.3354 40 F 5.5017 8.8621 125.5695 57.2826 40.4485 174.5158 41 M 4.5972 8.4801 122.2861 54.1543 35.0190 173.4025 42 Q 4.5133 8.3044 121.7270 54.4132 30.1146 174.9884 43 A 4.0296 8.5091 130.7279 51.5896 19.4008 177.7345 44 S 4.4104 8.2220 118.0607 57.7943 65.2957 175.0955 45 E 3.8258 8.4977 122.9291 59.5540 29.5150 178.7114 46 D 4.3077 7.9605 118.4160 57.2662 40.9032 178.4015 47 L 3.7214 7.4790 120.8566 58.0411 42.0003 179.0866 48 L 4.1105 7.7663 118.8918 57.7269 41.3610 179.5021 49 K 4.2795 8.1631 117.8019 59.7084 32.0950 178.6931 50 E 4.1197 7.9790 118.2247 59.3616 29.6078 177.9688 51 H 4.3148 8.2859 117.8252 58.3409 30.3680 175.9260 52 Y 4.9391 8.2861 118.5505 57.5835 39.1752 178.5428 53 V 3.6693 7.9891 115.5561 64.7921 31.9553 178.2179 54 D 4.5961 8.1414 116.8545 55.8776 41.1408 176.5681 55 L 4.7456 7.9225 119.1752 54.0690 42.5000 178.5404 56 K 2.0000 7.5232 120.7158 58.8255 32.3960 177.4995 57 D 4.5473 7.5337 116.6352 53.9300 41.2540 176.5004 58 R 4.1523 7.2730 119.6235 54.6244 30.7258 176.0263 59 P 4.3418 0.0000 0.0000 65.1059 31.6495 177.3313 60 F 4.5597 7.6703 113.3645 57.9834 39.0261 177.1814 61 F 3.9604 7.6597 124.1262 61.5720 38.9490 177.0039 62 A 3.9010 8.0918 119.5025 55.2064 18.3082 179.7569 63 G 3.5882 8.0246 103.7872 47.5697 0.0000 175.6239 64 L 4.0030 8.2711 123.0044 58.0153 41.9707 179.3073 65 V 3.4343 7.5872 118.2333 65.7912 31.2122 177.8430 66 K 3.9013 7.7500 118.2587 59.6373 32.2967 177.8684 67 Y 4.2854 8.1218 119.8080 60.9795 38.6373 177.4982 68 M 3.9311 7.8855 117.5430 57.4645 30.8206 177.0837 69 H 4.5953 7.7377 118.0668 57.0901 30.3139 176.7183 70 S 4.4709 7.8029 115.4441 60.0911 62.9788 174.0228 71 G 4.1586 6.6598 109.2013 42.7523 0.0000 170.3828 72 P 4.4003 0.0000 0.0000 62.8066 32.6249 175.6200 73 V 4.5484 8.9757 114.3199 59.6599 36.0167 174.8801 74 V 4.8706 8.3883 122.1454 61.4310 33.2569 174.2588 75 A 4.5540 8.8403 131.1020 51.3441 20.3090 175.8627 76 M 5.2989 8.6447 121.1173 53.4761 37.1161 174.5110 77 V 4.6729 8.2058 121.1158 60.8983 34.7108 174.3194 78 W 5.1688 8.7981 127.1567 54.7640 32.6215 174.0636 79 E 5.1595 9.9669 124.2898 53.6574 32.0917 175.2646 80 G 4.8700 8.4063 115.0004 45.8293 0.0000 171.8923 81 L 4.4106 8.7445 123.0896 55.2721 42.7025 176.6779 82 N 4.4214 9.1158 124.1969 54.0281 36.6620 176.8242 83 V 3.2669 7.7774 119.0207 64.4966 31.4246 177.2767 84 V 3.4935 7.9712 119.0829 65.7167 31.3462 177.8971 85 K 3.9310 7.9466 118.9487 59.9060 32.2080 178.8321 86 T 4.1108 8.3049 110.2399 64.4637 68.7315 176.6864 87 G 3.6687 8.1623 108.8450 47.9266 0.0000 175.8963 88 R 3.9973 7.8593 120.4459 58.8537 29.8059 179.3739 89 V 3.5985 7.3489 117.1604 66.2712 31.8050 177.7257 90 M 4.1076 8.2508 118.6394 58.3269 31.7359 178.7968 91 L 4.0410 8.0460 119.3912 55.4654 41.7656 178.0786 92 G 4.0526 7.8455 104.0184 44.1856 0.0000 172.5388 93 E 4.1310 8.2518 117.4947 56.4539 30.0101 177.6036 94 T 3.9345 8.6977 119.1370 66.6536 68.8857 174.2290 95 N 4.6157 8.0062 120.9284 51.8890 39.2742 173.6984 96 P 4.3955 0.0000 0.0000 64.7188 31.7641 178.5931 97 A 4.0128 7.9975 120.2723 54.7470 18.2841 177.9147 98 D 4.6669 7.9169 113.3171 54.7397 41.5756 177.1039 99 S 4.3224 7.5813 117.2655 58.0269 63.8107 173.9569 100 K 4.2279 8.3481 123.9221 54.8913 32.9080 174.8042 101 P 4.4722 0.0000 0.0000 64.1636 31.7563 175.9753 102 G 4.0265 9.4772 111.2229 45.9870 0.0000 174.9547 103 T 4.3899 7.5423 109.6516 60.5786 71.2358 175.9628 104 I 3.7997 8.2427 123.0104 64.9274 37.2714 179.2312 105 R 4.1495 8.2334 118.9588 59.0941 29.6481 179.3639 106 G 3.5816 7.8253 104.7729 47.7233 0.0000 175.0334 107 D 4.2839 7.7648 120.0112 55.5059 41.0617 177.2488 108 F 5.1238 7.7062 114.8219 57.2062 40.7696 174.1941 109 C 4.9440 7.9812 113.6719 57.0274 32.9154 173.1746 110 I 4.2901 8.4369 117.4686 62.5310 39.1159 175.9564 111 Q 4.6256 7.6364 120.6661 53.8010 30.7349 176.4447 112 V 3.6219 8.4276 123.7901 64.7699 31.4781 177.6715 113 G 3.5883 7.9003 107.2009 46.9302 0.0000 173.4262 114 R 4.6851 7.5493 118.0025 54.7757 30.3745 174.8366 115 N 4.9128 7.9785 111.9648 52.3457 38.7715 178.3615 116 I 2.8365 8.2637 113.5738 63.6812 38.8358 172.9202 117 I 5.0753 8.4893 118.7943 59.8606 41.3227 173.4998 118 H 5.1048 9.5723 126.9245 54.4300 33.2868 172.4237 119 G 4.3548 8.1717 109.8795 44.1287 0.0000 172.3927 120 S 4.5385 8.4461 119.5069 58.8950 62.8989 174.5966 121 D 4.6037 8.9617 123.1183 54.7371 40.2217 176.4521 122 S 4.6485 7.4825 113.9683 55.9581 67.2039 174.9298 123 V 3.5632 8.3093 121.2469 66.0499 31.3237 177.5624 124 E 3.9380 8.1278 118.5571 59.5046 29.5305 178.8511 125 S 4.1572 8.1931 114.9859 61.3370 62.8284 176.4343 126 A 4.0642 8.3131 123.7498 55.4096 18.1811 179.5147 127 E 3.9523 8.2122 116.9946 59.3668 29.6383 179.6328 128 K 3.9410 7.9425 119.0968 59.5929 32.3456 178.8237 129 E 3.9816 8.5555 119.2630 59.3385 29.2740 179.3238 130 I 3.9310 8.2612 120.4210 64.5729 37.0366 178.8632 131 G 3.6104 7.7598 104.4065 47.3002 0.0000 175.3021 132 L 4.0435 7.5261 121.6518 57.8527 42.2860 178.4658 133 W 4.1349 8.1879 117.1263 56.9256 29.6785 176.6986 134 F 5.0155 8.0329 116.7105 55.6316 41.4409 174.8601 135 H 4.6185 9.3871 122.3160 54.7541 29.2915 174.8957 136 P 4.3273 0.0000 0.0000 65.8739 31.3311 178.5515 137 E 4.1241 8.1418 115.9173 58.5543 29.6197 177.5326 138 E 4.2545 8.1797 117.2544 57.6472 29.9730 176.3372 139 L 4.4856 7.4943 119.6688 53.7280 42.4105 176.3132 140 V 4.3077 8.4939 125.0543 61.4928 32.9278 174.5735 141 D 5.0965 8.6847 127.8335 52.9044 42.2133 175.3233 142 Y 4.8230 8.1522 119.8780 56.3571 40.7968 173.6787 143 T 4.4386 8.2830 117.1978 61.4368 70.5834 174.8766 144 S 4.4403 8.4576 121.4841 58.1253 63.0735 174.6778 145 C 4.2815 8.9083 121.3348 60.4646 29.8294 174.0593 146 A 4.8329 7.9624 122.3748 52.0718 19.1578 177.9619 147 Q 4.1198 8.2124 120.6523 60.4290 28.7752 178.7336 148 N 4.2832 8.1135 114.6245 54.8518 38.7111 176.1565 149 W 4.7412 7.8391 118.4833 57.0533 29.8906 177.2767 150 I 4.0032 7.5574 118.7702 61.3049 37.9899 175.2619 151 Y 4.8906 7.3784 115.3414 55.6734 41.1102 175.4328 152 E 4.1284 8.8937 121.0822 56.8443 29.5407 176.9775 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 8.16 4.38 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 2 A 7.91 3.83 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 3 N 8.75 4.41 0.00 2.36 2.02 0.00 0.00 6.83 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 4 C 7.63 4.76 0.00 2.96 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 5 E 8.13 4.13 0.00 2.16 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 2.38 2.36 0.00 6 R 8.49 5.18 0.00 1.66 1.74 0.00 3.38 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 7 T 8.75 4.74 4.21 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 1.18 0.00 0.00 8 F 8.59 5.25 0.00 3.11 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 9 I 7.98 4.72 1.60 0.00 0.00 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 0.96 0.17 0.78 0.00 0.00 10 A 8.33 4.68 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 11 I 8.53 4.51 1.91 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 1.25 0.80 0.95 0.00 0.00 12 K 9.16 4.48 0.00 1.88 1.82 0.00 1.93 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.57 1.51 7.81 13 P 0.00 4.52 0.00 1.87 1.97 0.00 3.62 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 1.76 1.98 0.00 14 D 7.97 4.60 0.00 2.82 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 15 G 8.16 3.59 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 0.00 0.00 0.00 16 V 7.74 3.62 2.32 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 1.29 0.00 0.00 1.16 0.00 0.00 17 Q 8.05 4.11 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 18 R 7.77 4.45 0.00 1.90 1.94 0.00 3.33 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 19 G 7.84 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.69 4.40 0.00 1.72 1.40 0.84 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.91 3.66 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 1.05 0.00 0.00 0.93 0.00 0.00 22 G 7.98 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.07 4.00 0.00 1.88 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 0.00 2.30 2.09 0.00 24 I 7.80 3.83 2.11 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 1.62 1.21 1.06 0.00 0.00 25 I 7.91 4.08 2.01 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 1.73 1.04 1.28 0.00 0.00 26 K 8.34 3.99 0.00 1.99 2.04 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.52 7.81 27 R 7.85 3.82 0.00 1.88 1.71 0.00 3.28 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.87 0.00 28 F 7.73 3.94 0.00 1.93 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 29 E 8.33 4.24 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.91 0.00 30 Q 8.08 4.03 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.00 0.00 0.00 0.00 0.00 0.00 2.60 2.28 0.00 31 K 7.32 3.91 0.00 1.68 1.78 0.00 1.40 0.00 0.00 1.50 0.00 0.00 3.02 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.97 0.66 7.81 32 G 7.38 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.51 5.04 0.00 3.28 3.27 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 34 R 9.30 4.79 0.00 1.98 1.78 0.00 2.43 0.00 0.00 2.81 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.48 0.00 35 L 8.71 3.17 0.00 1.44 1.41 0.76 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.61 4.18 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 0.84 0.00 0.00 0.82 0.00 0.00 37 G 7.17 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.55 5.28 0.00 1.49 1.49 0.95 0.54 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 39 K 9.34 4.76 0.00 1.89 1.93 0.00 1.24 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.19 1.31 7.81 40 F 8.86 5.50 0.00 2.95 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 41 M 8.48 4.60 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 42 Q 8.30 4.51 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.97 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 43 A 8.51 4.03 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.22 4.41 0.00 3.99 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 45 E 8.50 3.83 0.00 1.87 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 2.32 2.30 0.00 46 D 7.96 4.31 0.00 2.68 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 47 L 7.48 3.72 0.00 1.38 1.51 0.14 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.77 4.11 0.00 1.92 1.88 1.08 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.16 4.28 0.00 2.00 2.07 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.75 1.58 7.81 50 E 7.98 4.12 0.00 2.05 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 2.27 2.32 0.00 51 H 8.29 4.31 0.00 3.28 3.42 0.00 5.78 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.29 4.94 0.00 3.39 3.23 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 53 V 7.99 3.67 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 1.14 0.00 0.00 1.01 0.00 0.00 54 D 8.14 4.60 0.00 2.74 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 55 L 7.92 4.75 0.00 2.04 1.61 1.44 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.52 2.00 0.00 1.04 1.30 0.00 1.42 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.14 7.81 57 D 7.53 4.55 0.00 2.57 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 58 R 7.27 4.15 0.00 1.05 0.99 0.00 3.39 0.00 0.00 3.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 59 P 0.00 4.34 0.00 2.24 2.21 0.00 3.73 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 2.14 2.02 0.00 60 F 7.67 4.56 0.00 3.26 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 61 F 7.66 3.96 0.00 2.99 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 62 A 8.09 3.90 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 63 G 8.02 3.59 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 0.00 0.00 0.00 64 L 8.27 4.00 0.00 1.95 1.94 -0.06 1.02 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 65 V 7.59 3.43 1.68 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 0.79 0.00 0.00 0.19 0.00 0.00 66 K 7.75 3.90 0.00 1.91 2.00 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.46 7.81 67 Y 8.12 4.29 0.00 3.05 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 68 M 7.89 3.93 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.91 0.00 69 H 7.74 4.60 0.00 3.26 3.44 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 7.80 4.47 0.00 4.09 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 71 G 6.66 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.40 0.00 1.24 1.69 0.00 3.60 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 2.12 1.98 0.00 73 V 8.98 4.55 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 0.74 0.00 0.00 1.20 0.00 0.00 74 V 8.39 4.87 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 1.13 0.00 0.00 1.19 0.00 0.00 75 A 8.84 4.55 1.40 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 0.00 0.00 0.00 76 M 8.64 5.30 0.00 1.74 1.93 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 77 V 8.21 4.67 1.70 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 0.89 0.00 0.00 0.32 0.00 0.00 78 W 8.80 5.17 0.00 3.04 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 79 E 9.97 5.16 0.00 1.96 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 2.48 0.00 80 G 8.41 4.87 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 81 L 8.74 4.41 0.00 1.98 1.99 1.04 1.03 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 82 N 9.12 4.42 0.00 3.04 2.91 0.00 0.00 6.89 7.68 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 83 V 7.78 3.27 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 0.85 0.00 0.00 -0.08 0.00 0.00 84 V 7.97 3.49 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.97 0.00 0.00 85 K 7.95 3.93 0.00 1.89 1.82 0.00 1.79 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.52 7.81 86 T 8.30 4.11 4.39 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 1.34 0.00 0.00 87 G 8.16 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 88 R 7.86 4.00 0.00 1.99 2.01 0.00 3.30 0.00 0.00 3.41 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 89 V 7.35 3.60 2.24 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 0.81 0.00 0.00 1.02 0.00 0.00 90 M 8.25 4.11 0.00 1.72 1.99 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.38 0.00 91 L 8.05 4.04 0.00 2.02 1.74 1.14 0.70 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 92 G 7.85 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 93 E 8.25 4.13 0.00 2.11 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 2.31 2.38 0.00 94 T 8.70 3.93 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 1.25 0.00 0.00 95 N 8.01 4.62 0.00 2.71 2.69 0.00 0.00 7.17 7.71 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 96 P 0.00 4.40 0.00 2.36 2.19 0.00 3.93 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.07 0.00 97 A 8.00 4.01 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 98 D 7.92 4.67 0.00 2.80 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 99 S 7.58 4.32 0.00 3.99 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 0.00 100 K 8.35 4.23 0.00 1.75 1.68 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.38 7.81 101 P 0.00 4.47 0.00 1.98 1.92 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 102 G 9.48 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 0.00 0.00 0.00 103 T 7.54 4.39 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 1.24 0.00 0.00 104 I 8.24 3.80 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.49 1.10 0.00 0.00 105 R 8.23 4.15 0.00 1.97 2.00 0.00 3.38 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.82 0.00 106 G 7.83 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.76 4.28 0.00 1.63 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 7.71 5.12 0.00 3.13 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 0.00 109 C 7.98 4.94 0.00 3.20 2.95 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 0.00 110 I 8.44 4.29 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 1.31 0.70 0.91 0.00 0.00 111 Q 7.64 4.63 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 112 V 8.43 3.62 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 0.69 0.00 0.00 0.88 0.00 0.00 113 G 7.90 3.59 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 0.00 0.00 0.00 114 R 7.55 4.69 0.00 1.76 1.99 0.00 3.35 0.00 0.00 3.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.61 0.00 115 N 7.98 4.91 0.00 2.90 3.12 0.00 0.00 5.93 7.68 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 0.00 116 I 8.26 2.84 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.86 1.04 0.00 0.00 117 I 8.49 5.08 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.94 1.04 0.00 0.00 118 H 9.57 5.10 0.00 3.34 3.10 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.17 4.35 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 0.00 120 S 8.45 4.54 0.00 3.86 3.90 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 0.00 0.00 0.00 0.00 121 D 8.96 4.60 0.00 2.82 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 0.00 122 S 7.48 4.65 0.00 4.04 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 0.00 123 V 8.31 3.56 2.09 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 1.03 0.00 0.00 0.94 0.00 0.00 124 E 8.13 3.94 0.00 2.09 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 2.39 2.41 0.00 125 S 8.19 4.16 0.00 4.13 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 0.00 126 A 8.31 4.06 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.21 3.95 0.00 2.16 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 2.52 2.47 0.00 128 K 7.94 3.94 0.00 1.85 1.97 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 129 E 8.56 3.98 0.00 2.09 1.48 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 2.39 2.44 0.00 130 I 8.26 3.93 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.87 0.92 0.00 0.00 131 G 7.76 3.61 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 0.00 132 L 7.53 4.04 0.00 1.99 1.70 0.85 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.19 4.13 0.00 3.16 3.10 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 0.00 134 F 8.03 5.02 0.00 3.20 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 0.00 135 H 9.39 4.62 0.00 3.23 3.51 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.33 0.00 2.21 2.15 0.00 3.68 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 137 E 8.14 4.12 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 138 E 8.18 4.25 0.00 2.44 2.32 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 2.45 2.41 0.00 139 L 7.49 4.49 0.00 1.51 1.54 0.90 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.49 4.31 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 0.81 0.00 0.00 0.94 0.00 0.00 141 D 8.68 5.10 0.00 2.62 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 0.00 142 Y 8.15 4.82 0.00 3.07 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 0.00 143 T 8.28 4.44 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 1.23 0.00 0.00 144 S 8.46 4.44 0.00 3.94 3.81 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 0.00 0.00 0.00 145 C 8.91 4.28 0.00 3.21 3.14 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 0.00 146 A 7.96 4.83 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.21 4.12 0.00 2.39 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.34 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 148 N 8.11 4.28 0.00 2.27 2.35 0.00 0.00 6.83 7.68 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 0.00 149 W 7.84 4.74 0.00 3.38 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 0.00 150 I 7.56 4.00 1.61 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.68 0.18 0.00 0.00 151 Y 7.38 4.89 0.00 2.92 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 0.00 152 E 8.89 4.13 0.00 1.99 1.87 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 2.31 2.32 0.00