NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4288 8.3349 115.4133 57.7851 64.3446 173.0313 2 L 4.1731 8.3043 122.6593 52.7608 42.1959 176.5422 3 S 4.5839 10.1354 121.2133 57.3004 66.9621 174.5967 4 D 4.3154 8.4698 120.4621 57.3539 40.3405 178.7995 5 K 3.8968 7.9982 119.5918 59.5821 32.1526 178.2218 6 D 4.4692 7.6630 120.0126 56.9058 40.8324 178.8861 7 K 3.8295 8.3281 118.7760 59.5945 32.0830 179.3217 8 A 3.9909 8.5924 121.0545 55.0113 18.2431 179.5816 9 A 3.9420 8.2389 119.7868 55.1664 18.3741 180.1231 10 V 3.4344 8.0536 117.1876 66.0541 31.5309 178.4863 11 R 3.9071 7.9351 117.6378 59.1999 29.7875 178.9046 12 A 3.9657 8.0984 120.5155 55.0230 18.3684 179.5046 13 L 3.8568 7.9182 118.8687 58.0995 42.2549 178.9832 14 W 3.9799 8.6034 128.7830 60.3204 30.3430 177.7338 15 S 4.0252 8.0348 112.5573 61.3700 61.8585 176.0948 16 K 4.0239 7.4326 120.4191 58.5936 32.0746 178.5200 17 I 3.7100 7.3733 112.4506 61.7729 38.2787 178.3498 18 G 2.4804 7.1721 110.1578 48.0068 0.0000 175.8541 19 K 3.8822 7.7010 118.2147 58.7133 32.3993 178.2777 20 S 4.6850 8.7074 114.6528 58.1871 62.9879 175.4497 21 A 4.0449 7.5451 127.0540 55.9032 17.8536 180.3957 22 D 4.3082 8.1206 116.2469 57.4000 40.8330 178.7525 23 A 4.0358 7.8455 120.9301 54.9401 18.4351 179.5773 24 I 3.7790 8.0198 118.5296 64.5870 37.3838 178.9115 25 G 3.6341 8.4320 106.8702 47.6946 0.0000 175.2995 26 N 4.2951 8.0048 119.3523 56.4174 39.0591 176.2018 27 D 4.3317 8.3271 119.5270 57.5826 41.2820 178.3627 28 A 4.0314 8.2313 121.0564 55.1838 18.3962 179.6465 29 L 4.0286 7.8819 117.1189 58.0642 41.5737 179.9214 30 S 4.1758 8.3292 115.2439 61.6126 62.6977 177.0688 31 R 3.9736 8.1231 120.8129 59.3014 29.7634 178.3603 32 M 4.2572 8.2038 118.0770 59.1943 31.9233 178.2111 33 I 3.7895 7.8366 119.5489 64.4454 37.0628 178.5762 34 V 3.7573 7.4187 117.8241 65.7921 31.6555 177.9559 35 V 3.7761 8.3974 116.8437 64.2208 33.0247 175.6018 36 Y 4.7232 8.2547 116.4650 54.2360 38.1214 173.9660 37 P 4.7040 0.0000 0.0000 64.3723 31.5242 177.9748 38 Q 4.1454 8.1593 117.2992 58.6322 28.9519 177.7008 39 T 4.2240 8.0516 111.6424 64.2005 68.8771 176.5077 40 K 4.3314 8.0378 122.0702 59.3480 31.7537 178.7671 41 T 3.8571 7.4183 109.4940 64.7174 68.3741 174.9779 42 Y 4.0822 7.4436 116.8247 58.2023 38.2732 175.7552 43 F 4.3781 7.8015 119.2530 56.8599 39.6301 177.3010 44 S 4.2223 7.9647 116.9466 60.8024 62.7030 174.7215 45 H 4.5049 8.1017 115.2338 56.3811 28.9755 175.0359 46 W 4.9572 7.7143 120.6603 54.7146 30.6256 174.4121 47 P 4.6577 0.0000 0.0000 63.6222 31.8914 175.9184 48 D 4.9089 7.8350 117.9252 51.5533 39.0523 176.5193 49 V 4.3628 7.6383 127.3768 62.1873 30.9373 174.5208 50 T 4.7541 7.2850 112.3280 58.2677 72.1765 172.6444 51 P 4.3808 0.0000 0.0000 64.3688 31.6566 176.3451 52 G 3.9680 8.6798 110.8946 46.4915 0.0000 174.4785 53 S 4.3654 7.6708 114.2385 56.7177 65.1223 172.6022 54 P 4.0955 0.0000 0.0000 66.4405 31.0278 178.5973 55 H 3.5092 7.6850 113.3602 58.5383 28.3164 178.0782 56 I 3.7161 7.2168 121.2232 64.2270 37.0258 178.5975 57 K 3.9086 8.5314 119.4502 59.2581 31.6757 179.2385 58 A 3.9127 7.8178 120.9377 55.5711 18.2919 179.2075 59 H 4.3280 8.3265 116.8596 59.1352 29.8755 177.3405 60 G 3.8630 8.3197 108.1373 48.0386 0.0000 175.7602 61 K 4.0825 7.9555 120.9607 59.2129 32.4036 179.3727 62 K 4.0634 7.5465 119.2968 58.9793 32.2948 179.2886 63 V 3.7187 8.0704 118.9623 66.3963 31.6037 178.1900 64 M 4.3350 8.3936 118.3866 58.0526 31.7308 178.9849 65 G 3.7915 8.2097 106.4989 47.5765 0.0000 176.0309 66 G 3.6467 8.1665 107.9044 47.4389 0.0000 176.0706 67 I 3.6238 7.5457 121.5322 63.9599 37.1792 178.0186 68 A 3.4644 7.9340 121.7186 54.8582 18.1667 179.3132 69 L 3.8169 7.9330 118.5565 58.2316 41.9201 178.9939 70 A 3.9223 7.7166 119.2885 55.1634 18.4480 179.2633 71 V 3.4370 7.8026 117.1777 66.2941 31.2700 178.5031 72 S 4.1707 7.8180 112.1933 60.4801 62.9746 175.4742 73 K 4.4828 7.8928 120.8557 55.8932 32.0261 177.7197 74 I 3.8541 7.3037 120.4417 63.1680 37.9318 176.2829 75 D 4.6539 7.8906 117.8248 56.4074 41.7843 176.6994 76 D 4.7729 8.0646 117.9067 51.9585 42.9866 175.1709 77 L 4.0934 8.0508 123.8304 57.0766 41.7806 178.4939 78 K 3.8367 7.9337 118.3302 59.9927 32.4183 178.5350 79 T 4.1157 8.4233 115.9995 66.4670 68.1592 176.9578 80 G 3.6966 8.4102 107.0122 47.3253 0.0000 174.8284 81 L 4.5686 8.0464 119.9709 54.3966 42.1510 178.1080 82 M 3.9514 7.6673 121.2674 59.1758 31.9965 178.2687 83 E 4.0173 8.1292 117.9296 59.2790 29.7551 178.9667 84 L 4.0441 7.8258 119.9692 57.8107 42.1139 178.8176 85 S 4.3337 7.8496 114.8544 60.8590 62.2833 175.9913 86 E 3.3395 8.0433 120.9368 59.0258 29.1479 179.1267 87 Q 3.9018 7.8373 119.8298 59.3893 29.0688 177.9237 88 H 4.1200 8.1623 116.8856 58.6856 28.5784 177.3285 89 A 2.5800 7.4020 122.0147 54.4973 18.1646 178.7330 90 Y 4.4135 7.3316 114.3762 59.0807 38.4682 177.0057 91 K 4.2730 7.7263 119.2673 58.1842 33.1598 177.3135 92 L 4.0908 7.7772 116.7263 55.1207 42.2659 177.0206 93 R 3.7450 7.6157 116.6034 56.9193 28.0494 176.6256 94 V 3.5518 7.4632 115.6894 61.6812 32.8335 174.5356 95 D 4.3931 8.6810 127.2870 53.3446 41.5581 175.0440 96 P 2.9700 0.0000 0.0000 65.0274 31.3926 178.2258 97 A 3.8965 8.0457 120.2165 55.3459 17.9936 179.3936 98 N 4.2227 8.1949 115.1147 56.2195 38.4531 177.4432 99 F 4.4566 7.4082 119.1173 60.7414 39.0827 177.8444 100 K 4.0522 7.8447 117.5271 59.2726 31.6927 179.4189 101 I 3.3455 7.4755 119.6077 64.1564 37.0527 177.9491 102 L 3.9709 8.0456 121.0650 58.3452 41.9888 178.4188 103 N 4.2706 8.5065 116.8253 56.9861 38.6045 176.7790 104 H 4.2179 8.1611 118.7986 59.5044 29.8985 177.1469 105 C 4.2232 7.8453 118.7862 62.6253 27.9244 176.1002 106 I 3.7200 7.8613 121.5721 64.4124 36.6831 178.5020 107 L 3.7802 7.8661 119.8220 57.6681 41.4133 179.7550 108 V 3.5670 7.5945 117.8158 65.7371 31.4223 178.3543 109 V 3.4851 7.7168 118.0230 66.0724 31.4145 177.7978 110 I 3.8440 7.5495 119.5575 64.7132 36.7236 178.2783 111 S 4.1103 7.6005 112.6492 61.6387 62.3276 176.0711 112 T 4.0564 7.6410 111.1687 64.4846 68.6850 176.1026 113 M 3.9032 7.7388 120.7295 56.2366 33.7295 176.5964 114 F 5.0222 8.3109 116.5035 55.1512 39.7229 173.9540 115 P 4.4112 0.0000 0.0000 65.9405 31.5679 178.5585 116 K 4.2319 8.0533 116.9111 58.6487 32.4038 177.9358 117 E 4.1988 8.2847 117.3625 58.6850 30.3318 177.2612 118 F 4.8021 8.1339 122.7100 57.3889 38.0139 175.2242 119 T 4.1480 7.3406 114.9473 60.6823 71.4802 173.4851 120 P 4.2200 0.0000 0.0000 65.9499 31.2876 178.7996 121 E 3.9988 8.0512 116.6464 59.0348 29.4867 178.9250 122 A 4.1282 7.5973 121.2437 55.0537 18.4435 178.9711 123 H 3.8994 8.2267 117.2392 59.4880 29.9118 177.3149 124 V 3.6027 7.7087 119.8295 66.5317 31.1163 178.2880 125 S 4.2130 7.7629 113.1641 61.4104 62.6077 176.4436 126 L 4.1540 8.6351 123.6343 57.9421 41.7897 178.3339 127 D 4.4626 8.7741 118.5270 57.4959 41.2063 178.3865 128 K 3.9341 8.1283 118.8161 59.4227 32.0634 179.0226 129 F 4.1692 8.5863 120.9674 61.5417 39.3199 177.2786 130 L 3.6228 8.7626 118.9827 57.6827 41.3583 179.7121 131 S 4.1614 8.3839 115.5939 61.4411 62.7005 176.9514 132 G 3.5007 7.8587 108.5941 47.4922 0.0000 176.1086 133 V 3.2318 7.3759 120.2776 65.5832 31.3930 177.8109 134 A 3.5555 7.8867 120.8222 55.2073 17.9309 179.4341 135 L 3.8542 7.6893 117.3585 57.9557 42.4157 178.7801 136 A 4.0607 7.8048 120.7756 55.2470 17.8887 179.6392 137 L 3.8313 8.3970 117.6360 57.4397 41.7091 178.7841 138 A 4.2603 7.6088 118.9021 52.2993 18.5714 178.4313 139 E 3.9160 7.7626 118.5003 59.1812 29.7661 177.8475 140 R 4.4648 7.8318 113.9086 56.5379 30.6018 177.2112 141 Y 4.1178 8.1694 117.3145 60.6209 38.0805 176.2085 142 R 4.2780 7.8103 118.9700 56.5511 29.3473 174.4765 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 S 8.33 4.43 0.00 4.00 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 2 L 8.30 4.17 0.00 1.78 1.69 1.13 0.68 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 3 S 10.14 4.58 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 4 D 8.47 4.32 0.00 2.71 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 5 K 8.00 3.90 0.00 1.81 1.80 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.53 7.81 6 D 7.66 4.47 0.00 2.90 2.73 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 7 K 8.33 3.83 0.00 1.76 1.83 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.65 7.81 8 A 8.59 3.99 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 9 A 8.24 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.05 3.43 1.76 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 0.16 0.00 0.00 0.74 0.00 0.00 11 R 7.94 3.91 0.00 2.13 1.96 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 12 A 8.10 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.92 3.86 0.00 1.87 1.71 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 14 W 8.60 3.98 0.00 3.44 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 15 S 8.03 4.03 0.00 3.97 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.43 4.02 0.00 1.68 1.71 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.60 7.81 17 I 7.37 3.71 0.83 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.16 -0.57 0.00 0.00 18 G 7.17 2.48 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 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.70 3.88 0.00 1.66 1.84 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.37 7.81 20 S 8.71 4.68 0.00 3.91 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 0.00 21 A 7.55 4.04 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 22 D 8.12 4.31 0.00 2.71 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 23 A 7.85 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.02 3.78 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.79 1.00 0.00 0.00 25 G 8.43 3.63 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 0.00 0.00 0.00 26 N 8.00 4.30 0.00 2.72 2.94 0.00 0.00 6.83 9.28 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 27 D 8.33 4.33 0.00 3.00 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 28 A 8.23 4.03 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 29 L 7.88 4.03 0.00 1.85 1.75 1.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.33 4.18 0.00 4.00 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 31 R 8.12 3.97 0.00 1.95 2.06 0.00 3.18 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 1.68 1.90 0.00 32 M 8.20 4.26 0.00 2.34 2.31 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.76 0.00 33 I 7.84 3.79 2.21 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.94 0.96 0.00 0.00 34 V 7.42 3.76 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 0.80 0.00 0.00 0.98 0.00 0.00 35 V 8.40 3.78 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 0.30 0.00 0.00 0.94 0.00 0.00 36 Y 8.25 4.72 0.00 3.21 3.08 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 0.00 0.00 0.00 37 P 0.00 4.70 0.00 2.29 2.35 0.00 3.91 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 2.10 1.90 0.00 38 Q 8.16 4.15 0.00 2.29 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 39 T 8.05 4.22 4.48 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 0.00 0.00 1.33 0.00 0.00 40 K 8.04 4.33 0.00 2.10 1.99 0.00 1.89 0.00 0.00 1.93 0.00 0.00 3.04 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.59 1.61 7.81 41 T 7.42 3.86 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 1.14 0.00 0.00 42 Y 7.44 4.08 0.00 2.03 2.35 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 43 F 7.80 4.38 0.00 2.87 2.34 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 44 S 7.96 4.22 0.00 3.95 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 45 H 8.10 4.50 0.00 3.34 3.39 0.00 5.51 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 W 7.71 4.96 0.00 3.30 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 47 P 0.00 4.66 0.00 2.21 2.22 0.00 3.71 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 1.99 1.99 0.00 48 D 7.84 4.91 0.00 2.77 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 49 V 7.64 4.36 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 1.00 0.00 0.00 1.17 0.00 0.00 50 T 7.29 4.75 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 1.24 0.00 0.00 51 P 0.00 4.38 0.00 2.07 2.07 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 52 G 8.68 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 53 S 7.67 4.37 0.00 4.07 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 54 P 0.00 4.10 0.00 2.00 2.04 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 55 H 7.68 3.51 0.00 2.90 1.31 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.22 3.72 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.96 0.91 0.00 0.00 57 K 8.53 3.91 0.00 1.82 1.82 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.58 7.81 58 A 7.82 3.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.33 4.33 0.00 3.66 3.50 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.32 3.86 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 0.00 0.00 0.00 61 K 7.96 4.08 0.00 2.25 2.23 0.00 1.32 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.50 7.81 62 K 7.55 4.06 0.00 1.93 1.94 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.21 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.52 1.49 7.81 63 V 8.07 3.72 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 1.05 0.00 0.00 0.89 0.00 0.00 64 M 8.39 4.34 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.86 0.00 65 G 8.21 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 66 G 8.17 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 0.00 0.00 0.00 67 I 7.55 3.62 1.86 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.94 0.61 0.00 0.00 68 A 7.93 3.46 1.61 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 69 L 7.93 3.82 0.00 1.77 1.85 0.91 0.85 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 70 A 7.72 3.92 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 71 V 7.80 3.44 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 0.82 0.00 0.00 -0.18 0.00 0.00 72 S 7.82 4.17 0.00 4.08 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 73 K 7.89 4.48 0.00 1.81 1.82 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.54 7.81 74 I 7.30 3.85 1.99 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.95 0.94 0.00 0.00 75 D 7.89 4.65 0.00 2.70 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 76 D 8.06 4.77 0.00 2.70 2.48 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 0.00 0.00 0.00 77 L 8.05 4.09 0.00 1.68 1.62 0.84 0.83 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 78 K 7.93 3.84 0.00 1.72 1.96 0.00 2.17 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.53 7.81 79 T 8.42 4.12 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 1.21 0.00 0.00 80 G 8.41 3.70 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 0.00 0.00 0.00 81 L 8.05 4.57 0.00 1.62 1.57 0.74 0.69 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 82 M 7.67 3.95 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 83 E 8.13 4.02 0.00 2.05 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 2.42 2.37 0.00 84 L 7.83 4.04 0.00 1.73 1.72 0.97 0.66 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 85 S 7.85 4.33 0.00 4.11 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 86 E 8.04 3.34 0.00 2.12 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 0.00 2.38 2.48 0.00 87 Q 7.84 3.90 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 88 H 8.16 4.12 0.00 3.41 3.58 0.00 5.87 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.40 2.58 0.20 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 90 Y 7.33 4.41 0.00 2.92 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 91 K 7.73 4.27 0.00 1.71 1.93 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.44 7.81 92 L 7.78 4.09 0.00 1.56 1.58 0.75 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.62 3.74 0.00 1.96 1.99 0.00 3.32 0.00 0.00 3.32 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 94 V 7.46 3.55 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 0.05 0.00 0.00 0.54 0.00 0.00 95 D 8.68 4.39 0.00 2.79 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 96 P 0.00 2.97 0.00 1.90 1.74 0.00 3.41 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 1.68 1.08 0.00 97 A 8.05 3.90 1.26 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 0.00 0.00 0.00 98 N 8.19 4.22 0.00 2.57 2.76 0.00 0.00 6.97 7.81 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 99 F 7.41 4.46 0.00 3.11 2.84 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 0.00 0.00 0.00 100 K 7.84 4.05 0.00 1.76 1.84 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.63 7.81 101 I 7.48 3.35 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.51 0.10 0.00 0.00 102 L 8.05 3.97 0.00 1.81 1.73 0.99 0.99 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 0.00 103 N 8.51 4.27 0.00 2.93 2.90 0.00 0.00 6.73 7.81 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 0.00 104 H 8.16 4.22 0.00 3.33 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 C 7.85 4.22 0.00 3.23 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.86 3.72 2.07 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 0.95 0.00 0.00 107 L 7.87 3.78 0.00 1.87 1.75 1.07 1.02 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 0.00 108 V 7.59 3.57 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 1.00 0.00 0.00 0.91 0.00 0.00 109 V 7.72 3.49 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 1.05 0.00 0.00 0.99 0.00 0.00 110 I 7.55 3.84 1.38 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 1.40 0.63 0.49 0.00 0.00 111 S 7.60 4.11 0.00 3.97 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 0.00 112 T 7.64 4.06 4.20 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 1.27 0.00 0.00 113 M 7.74 3.90 0.00 0.87 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.33 0.00 114 F 8.31 5.02 0.00 3.15 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 0.00 115 P 0.00 4.41 0.00 2.22 2.25 0.00 3.80 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 2.00 2.00 0.00 116 K 8.05 4.23 0.00 1.83 1.95 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.49 7.81 117 E 8.28 4.20 0.00 2.07 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 2.33 2.40 0.00 118 F 8.13 4.80 0.00 3.09 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 0.00 119 T 7.34 4.15 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 1.25 0.00 0.00 120 P 0.00 4.22 0.00 2.11 2.08 0.00 3.54 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 121 E 8.05 4.00 0.00 2.03 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 2.38 2.41 0.00 122 A 7.60 4.13 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 0.00 123 H 8.23 3.90 0.00 2.40 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.71 3.60 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 0.97 0.00 0.00 0.94 0.00 0.00 125 S 7.76 4.21 0.00 3.99 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 0.00 126 L 8.64 4.15 0.00 1.93 1.93 1.13 1.31 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 0.00 127 D 8.77 4.46 0.00 3.02 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 0.00 128 K 8.13 3.93 0.00 2.07 1.89 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.79 7.81 129 F 8.59 4.17 0.00 3.10 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 0.00 130 L 8.76 3.62 0.00 1.69 1.89 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.38 4.16 0.00 4.01 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 0.00 132 G 7.86 3.50 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 0.00 133 V 7.38 3.23 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 0.65 0.00 0.00 0.04 0.00 0.00 134 A 7.89 3.56 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.69 3.85 0.00 1.69 1.63 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.80 4.06 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 0.00 137 L 8.40 3.83 0.00 1.31 1.20 -0.11 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.61 4.26 1.22 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 0.00 0.00 139 E 7.76 3.92 0.00 2.10 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 2.34 2.45 0.00 140 R 7.83 4.46 0.00 1.64 1.93 0.00 3.43 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 141 Y 8.17 4.12 0.00 2.96 3.04 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 0.00 142 R 7.81 4.28 0.00 1.92 1.93 0.00 3.10 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00