NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4702 8.2893 120.3264 55.3695 34.6578 175.1822 2 Q 3.8498 7.6954 120.1575 55.5038 29.6759 174.9273 3 A 4.2584 8.4147 123.5679 52.5195 20.6660 178.9846 4 K 4.6560 7.9198 118.5352 54.9070 32.7133 174.0294 5 P 4.5739 0.0000 0.0000 62.9478 33.1917 176.8209 6 Q 4.2700 8.3774 115.2149 55.2887 27.3037 174.9152 7 I 4.2327 7.4860 119.6056 58.9643 38.1899 174.1772 8 P 4.4912 0.0000 0.0000 62.0336 31.6828 177.4305 9 K 4.0785 8.7389 122.8473 58.1866 32.2973 177.1892 10 D 4.5906 7.8914 119.6119 53.2828 39.1860 177.1083 11 K 4.1442 8.5269 123.2773 58.0743 32.3356 177.6043 12 S 4.5724 7.6441 114.0795 57.2055 62.6820 173.8599 13 K 4.6354 7.8097 116.7483 54.0071 35.9477 176.6727 14 V 3.5509 8.6602 122.9841 63.3993 31.6153 175.4212 15 A 4.4475 8.3141 130.3892 53.3441 19.8774 176.1814 16 G 3.8763 7.2268 100.4081 46.6445 0.0000 171.2930 17 Y 4.6256 7.3558 120.2617 56.3237 42.6693 174.6787 18 I 4.7606 8.5925 127.3386 60.2225 40.3884 174.0095 19 E 5.4951 8.6866 127.8873 54.5474 33.3928 173.9754 20 I 4.9891 8.9760 127.5978 59.5404 41.4489 174.4322 21 P 4.2064 0.0000 0.0000 65.8749 31.7518 178.1597 22 D 4.5035 8.2425 117.4320 56.2264 40.7190 177.1540 23 A 4.5518 7.7712 118.4055 50.5710 19.7296 175.0927 24 D 4.4090 8.2133 115.2521 54.5913 39.3469 173.8170 25 I 4.1951 7.6264 119.1435 61.8344 39.2605 175.9113 26 K 5.0919 9.1252 124.2024 56.8489 34.0799 173.8610 27 E 4.9071 8.1270 123.2389 53.0923 34.5465 173.1011 28 P 4.0499 0.0000 0.0000 61.3947 33.7600 175.1095 29 V 4.0189 7.3030 112.2102 59.6103 34.8214 174.7804 30 Y 4.8909 7.8277 123.6039 56.3916 39.9694 173.4635 31 P 4.8918 0.0000 0.0000 63.4246 31.8145 175.4132 32 G 3.9561 8.1738 113.0123 44.7734 0.0000 168.8577 33 P 4.4632 0.0000 0.0000 61.8651 31.4572 174.4092 34 A 4.1638 7.8119 128.2153 52.2963 18.0072 176.6848 35 T 4.7902 8.0263 111.4753 59.5613 72.5544 173.8538 36 P 4.6457 0.0000 0.0000 66.2381 31.3734 178.6141 37 E 4.0085 8.1272 115.7377 58.4643 29.5067 177.9101 38 Q 4.2075 8.0021 120.2901 58.2955 29.6115 177.0633 39 L 4.3526 8.3480 121.6392 57.0821 41.5891 179.4236 40 N 4.4934 7.9417 115.4601 56.0116 38.4982 176.8250 41 R 4.4051 9.7149 118.4035 56.3025 30.6361 178.3972 42 G 4.5711 7.7479 107.9918 46.2011 0.0000 173.5749 43 V 4.2967 6.9094 125.5188 61.2087 34.9009 173.1819 44 S 4.7322 8.0054 115.4306 56.9158 66.5380 173.9643 45 F 4.9001 7.9433 122.1642 57.6311 39.5061 176.5239 46 A 4.2897 9.8614 123.9995 54.3230 18.7726 177.9812 47 E 4.8696 7.8859 114.4119 54.2403 33.5044 176.4312 48 E 4.1178 8.8924 119.6963 59.1346 29.7979 177.2109 49 N 4.5803 8.0118 115.6793 53.4506 39.3089 174.2150 50 E 3.9417 7.8245 118.6350 57.0767 30.2889 175.2457 51 S 4.5378 7.3335 116.8206 57.3023 67.0988 174.3237 52 L 4.7897 8.4017 118.5478 55.4061 41.0254 177.7972 53 D 4.7162 7.7403 114.7672 53.8302 44.4499 175.1612 54 D 4.3108 8.0688 120.8528 54.3583 41.7169 176.6580 55 Q 4.0367 8.7881 124.9503 58.9274 29.4892 176.1358 56 N 4.7984 8.2965 117.4117 52.2505 41.4699 173.4825 57 I 4.5753 8.4821 128.1760 59.2106 38.7759 175.0607 58 S 5.2298 8.9952 122.7077 56.7421 64.9252 173.5589 59 I 4.7482 8.4917 124.7241 59.3245 40.4398 174.3995 60 A 4.6633 8.6328 124.7440 50.3183 22.1296 175.5810 61 G 4.1386 8.3053 108.7447 44.5088 0.0000 171.9515 62 H 4.9572 9.4543 119.0955 55.5187 30.6642 175.2114 63 T 4.8544 7.6981 113.8405 61.5962 69.0173 170.6107 64 F 4.7615 9.1138 125.5397 55.8183 39.5749 177.2796 65 I 3.7512 8.6128 127.5391 64.3172 37.1001 176.2712 66 D 4.7877 8.1266 117.8742 54.1239 41.2182 177.0784 67 R 4.7186 8.0602 117.2878 54.0703 30.6373 174.1313 68 P 4.4784 0.0000 0.0000 63.2536 32.2379 177.7695 69 N 5.2432 9.1293 115.1607 52.6843 40.3030 172.3621 70 Y 4.8471 7.5655 122.1213 56.4515 41.7255 173.5623 71 Q 4.3098 8.3681 116.5275 56.9894 28.2874 175.9854 72 F 4.3225 7.8833 122.6644 58.6743 40.3289 177.5126 73 T 4.1332 7.9707 117.1629 66.3946 68.4989 176.2160 74 N 4.3050 7.9862 117.4401 54.9279 39.3212 176.8956 75 L 3.3577 6.9302 120.0443 57.9018 41.3918 179.1137 76 K 3.9818 7.1616 117.1886 59.0375 31.9922 178.7875 77 A 4.1129 8.3645 120.7255 53.6404 18.4522 177.4310 78 A 4.0699 6.8833 119.7435 52.7148 19.1458 176.0377 79 K 4.6291 7.9929 116.9781 54.5717 36.3247 175.9108 80 K 4.0777 8.4546 121.2389 58.2817 32.2892 176.9507 81 G 3.9539 8.4096 112.5227 45.3591 0.0000 173.6245 82 S 4.2896 7.9617 115.0956 58.8100 63.5520 174.2916 83 M 4.4524 8.5454 122.6283 55.0599 32.7620 175.0513 84 V 4.6720 7.8852 110.8163 60.3814 37.1778 174.1200 85 Y 5.2779 8.7306 117.6508 56.1478 41.8912 174.6558 86 F 5.1098 9.2790 128.1437 56.8563 40.9529 174.4718 87 K 4.6728 8.8015 128.8713 56.0642 33.8889 176.0332 88 V 4.4207 8.8383 119.6842 60.6099 36.3193 175.5789 89 G 3.7909 9.0695 114.3363 47.0050 0.0000 174.6660 90 N 5.0284 8.5659 116.0691 50.9070 38.8291 173.1244 91 E 4.6987 7.8532 117.0704 55.5959 33.6074 173.4784 92 T 5.1174 8.4170 117.9949 60.4120 70.2714 173.5538 93 R 4.7094 8.8230 125.7980 54.9152 32.4065 174.9050 94 K 5.0398 7.6545 116.5244 54.9593 35.4674 174.5954 95 Y 4.7398 8.1593 117.4711 56.4985 42.9957 173.8184 96 K 4.6207 8.5874 120.0788 55.0254 35.1973 175.3083 97 M 4.2700 8.2621 127.0665 56.4679 32.9926 178.0921 98 T 4.5497 7.9157 109.3475 62.1473 71.1557 174.2740 99 S 4.6336 7.8529 113.2463 58.5328 64.2789 173.5041 100 I 4.2570 8.2446 125.5240 60.7418 37.8847 175.6071 101 R 4.6256 8.3917 122.7273 55.3947 32.2173 176.7213 102 D 4.0838 7.8155 119.0750 55.7826 39.6082 179.2894 103 V 3.9109 7.7506 116.8105 62.7917 30.6263 179.2221 104 K 4.1696 8.9853 113.5598 55.7798 33.2101 175.4601 105 P 4.2195 0.0000 0.0000 65.5567 31.5436 176.5959 106 T 4.2417 7.6003 109.6343 60.1312 67.5288 173.0710 107 D 4.9075 7.8461 126.8066 51.6684 43.0124 177.4165 108 V 4.0403 8.1898 113.2836 60.4747 30.3340 177.5867 109 G 4.1162 7.3669 101.8001 44.0804 0.0000 175.4310 110 V 3.7434 8.0638 121.8714 64.9594 32.0015 176.3659 111 L 4.5296 7.4707 114.9838 53.9497 45.4197 175.5230 112 D 4.3317 8.0193 115.7481 55.5333 39.4847 172.9994 113 E 4.5316 8.2072 115.6000 55.8625 31.1641 175.5306 114 Q 4.4946 7.7682 114.9477 56.4886 30.3576 177.7023 115 K 4.3963 7.6718 117.4894 56.6274 32.4542 177.6724 116 G 4.3088 8.2662 106.4745 44.9418 0.0000 173.8952 117 K 4.5966 7.6804 125.2736 56.3943 31.4579 178.8817 118 D 5.0149 8.4681 116.6204 51.3368 43.4854 174.5762 119 K 4.4321 8.1288 119.1209 56.8350 33.5769 175.7699 120 Q 4.6857 8.8238 118.9859 55.1316 32.9026 173.1904 121 L 4.6083 8.2564 122.0480 53.6762 44.5373 175.0747 122 T 4.7032 8.5775 124.3440 62.5949 70.0419 174.2054 123 L 5.1286 9.2780 126.5853 53.4244 44.7156 175.6943 124 I 4.8633 8.0427 122.2026 59.9492 41.7175 174.9054 125 T 3.7947 7.4674 115.1229 60.6989 71.3242 174.6598 126 C 3.4133 7.9398 119.8335 58.6174 31.1111 172.8925 127 D 4.8679 8.6327 121.8933 52.3986 41.5386 174.7898 128 D 4.4204 8.8981 118.0058 55.5616 38.1183 173.8545 129 Y 3.8053 7.7851 120.5323 57.4578 39.8383 174.2653 130 N 4.7656 8.0037 126.0141 52.2545 38.2861 175.3459 131 E 4.4687 8.6520 119.3122 56.4611 30.2019 177.6096 132 K 4.0471 7.8182 119.6642 59.5116 32.3253 177.9264 133 T 4.2089 7.6546 106.0988 60.6969 69.8481 174.0150 134 G 4.0267 7.7302 108.7951 45.3925 0.0000 172.8266 135 V 4.0524 7.0930 116.7621 60.3689 35.3776 173.3842 136 W 3.9628 8.3950 122.6315 56.0520 28.0479 175.6669 137 E 3.4079 7.4043 122.2659 60.1810 29.6823 177.1126 138 K 4.4308 7.7340 120.0286 56.3647 33.7443 178.1618 139 R 4.5982 7.8136 119.6793 55.1262 31.6283 174.6734 140 K 4.2906 7.9338 121.1246 55.9651 34.0273 175.8059 141 I 5.0264 7.2970 114.8549 58.2663 41.5175 173.9335 142 F 5.2784 8.7558 121.0002 56.0974 43.4947 173.7569 143 V 5.4107 8.8609 120.4876 59.1444 34.9872 174.1260 144 A 4.9366 8.3178 122.4946 50.9104 23.0353 174.1344 145 T 4.8010 8.2983 109.7108 60.3914 71.1837 173.0007 146 E 3.8014 8.3304 127.2455 57.1356 30.0507 177.7483 147 V 4.1761 7.9367 126.7870 62.5396 32.8965 175.9583 148 K 4.1695 8.5295 117.2672 56.7626 32.0992 176.2451 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 8.29 4.47 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 Q 7.70 3.85 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 3 A 8.41 4.26 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 4 K 7.92 4.66 0.00 1.85 1.70 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.44 7.81 5 P 0.00 4.57 0.00 2.28 2.32 0.00 3.82 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 6 Q 8.38 4.27 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 7 I 7.49 4.23 1.94 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 1.56 0.73 1.06 0.00 0.00 8 P 0.00 4.49 0.00 2.26 2.24 0.00 3.81 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 9 K 8.74 4.08 0.00 1.79 1.94 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.50 7.81 10 D 7.89 4.59 0.00 2.83 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.53 4.14 0.00 1.71 2.04 0.00 1.91 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.46 7.81 12 S 7.64 4.57 0.00 3.71 3.75 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 13 K 7.81 4.64 0.00 1.94 1.69 0.00 1.85 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.38 7.81 14 V 8.66 3.55 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.01 0.00 0.00 15 A 8.31 4.45 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 16 G 7.23 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 0.00 0.00 0.00 17 Y 7.36 4.63 0.00 2.87 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 18 I 8.59 4.76 2.01 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 1.15 1.36 0.97 0.00 0.00 19 E 8.69 5.50 0.00 2.13 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 2.15 2.20 0.00 20 I 8.98 4.99 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.61 0.93 0.00 0.00 21 P 0.00 4.21 0.00 2.23 2.30 0.00 3.81 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 22 D 8.24 4.50 0.00 2.63 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 23 A 7.77 4.55 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 24 D 8.21 4.41 0.00 2.81 2.76 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 25 I 7.63 4.20 1.79 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.04 0.92 0.00 0.00 26 K 9.13 5.09 0.00 1.76 1.69 0.00 1.52 0.00 0.00 1.49 0.00 0.00 2.78 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.34 1.31 7.81 27 E 8.13 4.91 0.00 1.78 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.20 0.00 28 P 0.00 4.05 0.00 1.60 1.35 0.00 3.44 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 29 V 7.30 4.02 1.41 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 0.53 0.00 0.00 0.78 0.00 0.00 30 Y 7.83 4.89 0.00 2.91 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 31 P 0.00 4.89 0.00 2.23 2.32 0.00 4.00 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 32 G 8.17 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 0.00 0.00 0.00 33 P 0.00 4.46 0.00 2.26 2.15 0.00 3.88 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 34 A 7.81 4.16 1.50 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 0.00 0.00 35 T 8.03 4.79 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 1.31 0.00 0.00 36 P 0.00 4.65 0.00 2.12 1.89 0.00 3.58 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.08 0.00 37 E 8.13 4.01 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 38 Q 8.00 4.21 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.03 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 39 L 8.35 4.35 0.00 1.95 1.92 1.03 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.94 4.49 0.00 2.97 2.98 0.00 0.00 7.08 7.59 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 41 R 9.71 4.41 0.00 1.71 1.90 0.00 3.10 0.00 0.00 2.97 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 42 G 7.75 4.57 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 0.00 0.00 0.00 43 V 6.91 4.30 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 0.87 0.00 0.00 0.83 0.00 0.00 44 S 8.01 4.73 0.00 4.07 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 45 F 7.94 4.90 0.00 3.20 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 46 A 9.86 4.29 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 47 E 7.89 4.87 0.00 2.03 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 2.30 2.37 0.00 48 E 8.89 4.12 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 49 N 8.01 4.58 0.00 2.70 2.83 0.00 0.00 6.93 7.64 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 50 E 7.82 3.94 0.00 2.08 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.47 0.00 51 S 7.33 4.54 0.00 3.75 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 4.79 0.00 1.77 1.98 1.12 1.15 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 53 D 7.74 4.72 0.00 2.54 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 54 D 8.07 4.31 0.00 2.51 2.47 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 Q 8.79 4.04 0.00 2.15 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.61 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 56 N 8.30 4.80 0.00 2.68 2.67 0.00 0.00 7.50 8.16 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 57 I 8.48 4.58 1.59 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.65 0.67 0.00 0.00 58 S 9.00 5.23 0.00 3.88 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 59 I 8.49 4.75 1.88 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 1.25 0.75 0.92 0.00 0.00 60 A 8.63 4.66 1.04 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 61 G 8.31 4.14 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 0.00 62 H 9.45 4.96 0.00 3.45 3.09 0.00 5.64 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.70 4.85 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 1.14 0.00 0.00 64 F 9.11 4.76 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 65 I 8.61 3.75 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.54 0.96 0.00 0.00 66 D 8.13 4.79 0.00 2.64 2.62 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 67 R 8.06 4.72 0.00 1.84 1.81 0.00 3.20 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 68 P 0.00 4.48 0.00 2.11 2.10 0.00 3.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 69 N 9.13 5.24 0.00 2.60 2.76 0.00 0.00 6.60 7.37 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 70 Y 7.57 4.85 0.00 3.26 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 71 Q 8.37 4.31 0.00 2.39 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 7.62 0.00 0.00 0.00 0.00 0.00 2.06 1.44 0.00 72 F 7.88 4.32 0.00 2.77 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 73 T 7.97 4.13 4.36 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 1.36 0.00 0.00 74 N 7.99 4.31 0.00 2.83 2.81 0.00 0.00 6.73 7.04 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 75 L 6.93 3.36 0.00 0.42 0.13 -0.16 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.16 3.98 0.00 1.67 1.96 0.00 1.88 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.80 7.81 77 A 8.36 4.11 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 6.88 4.07 1.16 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 79 K 7.99 4.63 0.00 1.78 1.68 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.57 7.81 80 K 8.45 4.08 0.00 1.74 1.76 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.50 7.81 81 G 8.41 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 82 S 7.96 4.29 0.00 3.89 4.09 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 83 M 8.55 4.45 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.63 0.00 84 V 7.89 4.67 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 0.88 0.00 0.00 0.97 0.00 0.00 85 Y 8.73 5.28 0.00 2.98 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 86 F 9.28 5.11 0.00 3.25 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.80 4.67 0.00 1.80 1.70 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.38 7.81 88 V 8.84 4.42 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 0.82 0.00 0.00 1.08 0.00 0.00 89 G 9.07 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 90 N 8.57 5.03 0.00 2.67 2.77 0.00 0.00 6.54 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 91 E 7.85 4.70 0.00 1.98 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 2.19 2.20 0.00 92 T 8.42 5.12 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 1.28 0.00 0.00 93 R 8.82 4.71 0.00 1.71 2.04 0.00 3.05 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 94 K 7.65 5.04 0.00 1.25 1.56 0.00 1.08 0.00 0.00 0.73 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.11 1.10 7.81 95 Y 8.16 4.74 0.00 2.84 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 96 K 8.59 4.62 0.00 1.76 1.62 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.41 7.81 97 M 8.26 4.27 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 98 T 7.92 4.55 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 1.30 0.00 0.00 99 S 7.85 4.63 0.00 3.87 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 0.00 100 I 8.24 4.26 1.90 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.02 1.00 0.00 0.00 101 R 8.39 4.63 0.00 1.63 1.97 0.00 3.30 0.00 0.00 3.36 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 102 D 7.82 4.08 0.00 2.40 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 0.00 0.00 0.00 0.00 103 V 7.75 3.91 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 0.73 0.00 0.00 0.90 0.00 0.00 104 K 8.99 4.17 0.00 1.87 1.78 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.39 7.81 105 P 0.00 4.22 0.00 2.16 2.17 0.00 3.72 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 1.95 1.92 0.00 106 T 7.60 4.24 4.22 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 1.19 0.00 0.00 107 D 7.85 4.91 0.00 2.69 2.58 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 V 8.19 4.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.92 0.00 0.00 109 G 7.37 4.12 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 0.00 0.00 0.00 110 V 8.06 3.74 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 0.80 0.00 0.00 0.94 0.00 0.00 111 L 7.47 4.53 0.00 1.59 1.59 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 112 D 8.02 4.33 0.00 2.72 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.21 4.53 0.00 2.07 1.88 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 2.16 2.25 0.00 114 Q 7.77 4.49 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 115 K 7.67 4.40 0.00 1.86 1.75 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.53 7.81 116 G 8.27 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 7.68 4.60 0.00 1.87 0.94 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.45 7.81 118 D 8.47 5.01 0.00 2.63 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 0.00 119 K 8.13 4.43 0.00 1.75 1.88 0.00 1.74 0.00 0.00 1.89 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.51 7.81 120 Q 8.82 4.69 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 121 L 8.26 4.61 0.00 0.96 1.23 0.44 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.58 4.70 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 1.20 0.00 0.00 123 L 9.28 5.13 0.00 2.14 2.04 1.01 0.52 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 0.00 124 I 8.04 4.86 1.81 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 1.22 1.16 0.74 0.00 0.00 125 T 7.47 3.79 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 126 C 7.94 3.41 0.00 1.91 1.18 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 0.00 127 D 8.63 4.87 0.00 2.62 2.41 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 0.00 128 D 8.90 4.42 0.00 2.99 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 0.00 129 Y 7.79 3.81 0.00 1.67 2.47 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 0.00 130 N 8.00 4.77 0.00 2.83 2.78 0.00 0.00 6.16 7.58 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 0.00 131 E 8.65 4.47 0.00 2.13 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 2.26 2.33 0.00 132 K 7.82 4.05 0.00 1.71 1.86 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.34 7.81 133 T 7.65 4.21 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 1.16 0.00 0.00 134 G 7.73 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 0.00 135 V 7.09 4.05 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 0.92 0.00 0.00 0.85 0.00 0.00 136 W 8.40 3.96 0.00 3.29 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 0.00 137 E 7.40 3.41 0.00 2.10 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 2.31 2.48 0.00 138 K 7.73 4.43 0.00 1.81 1.72 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.48 7.81 139 R 7.81 4.60 0.00 1.71 1.76 0.00 3.25 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.84 0.00 140 K 7.93 4.29 0.00 1.89 1.60 0.00 1.70 0.00 0.00 2.11 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.47 7.81 141 I 7.30 5.03 1.75 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 1.15 1.52 0.92 0.00 0.00 142 F 8.76 5.28 0.00 3.01 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 0.00 143 V 8.86 5.41 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 1.19 0.00 0.00 0.98 0.00 0.00 144 A 8.32 4.94 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.30 4.80 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 1.23 0.00 0.00 146 E 8.33 3.80 0.00 2.01 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 2.26 2.12 0.00 147 V 7.94 4.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.87 0.00 0.00 148 K 8.53 4.17 0.00 1.77 1.68 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.41 7.81