NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5187 8.3044 118.2000 55.2702 32.3728 172.7232 2 S 4.3265 8.3812 118.6402 53.6271 69.4400 168.9651 3 F 3.5212 8.8359 128.5026 57.4618 42.0168 173.4351 4 C 4.9623 7.5331 125.9054 57.6777 34.2377 172.9304 5 S 4.4491 8.4962 117.3437 57.4718 64.8377 174.4228 6 F 5.0350 7.9204 121.7375 55.5344 40.4271 173.2379 7 F 5.1408 8.7721 125.3336 57.4761 42.1754 173.3997 8 G 3.6084 8.4217 112.3153 46.6882 0.0000 173.7315 9 G 3.4430 5.3800 110.5574 45.4319 0.0000 173.2980 10 E 4.7364 7.0362 118.5257 54.6267 32.7842 174.9850 11 V 3.9057 8.4263 121.8305 62.3980 32.4110 178.0069 12 F 4.2305 8.1306 116.5299 59.9066 37.7791 177.2708 13 Q 3.4992 6.3302 117.3868 57.3728 28.3801 176.7075 14 N 4.5779 7.6682 113.1273 53.5120 39.4911 175.2893 15 H 4.7383 7.9464 118.4616 54.8987 27.3970 175.2882 16 F 5.0066 6.9761 109.4764 55.9752 39.8675 175.7271 17 E 4.1382 7.6835 121.1096 55.5384 30.0823 174.8816 18 P 4.5738 0.0000 0.0000 62.6875 32.4665 176.4481 19 G 3.6862 7.4626 105.1249 45.8956 0.0000 171.9463 20 V 4.4414 7.3285 118.3197 61.3480 35.8262 174.7997 21 Y 5.4009 8.3777 120.1145 56.4099 41.1258 175.3602 22 V 5.0082 8.7894 114.7666 59.4607 36.7890 174.4904 23 C 4.6341 8.5546 123.4784 59.5270 32.0591 174.7271 24 A 4.2061 8.9301 127.7106 53.9994 18.5488 177.9065 25 K 4.4185 8.1588 114.8125 57.8074 34.0965 176.5892 26 C 4.3598 8.0810 114.9720 59.2257 28.9520 174.9980 27 S 3.9445 7.9312 110.9061 58.7389 62.4997 171.4142 28 Y 4.5731 7.6516 123.4750 57.8767 39.8335 174.2015 29 E 4.6536 8.5456 126.4829 55.6125 30.4128 176.2532 30 L 4.3549 8.4597 125.8834 54.9630 43.2127 175.1240 31 F 4.4185 8.3062 122.8353 56.9909 42.2644 173.1458 32 S 4.1631 6.7636 122.8784 57.5985 62.7154 175.2758 33 S 4.3592 8.4983 121.1657 60.8051 62.9243 174.5229 34 H 4.8898 7.6752 116.8383 56.4537 29.3302 176.0926 35 S 4.3109 7.6174 114.1113 59.0859 63.4564 173.7555 36 K 4.4612 7.7574 120.5698 54.6691 35.1238 174.0014 37 Y 5.0052 7.9424 119.9915 56.1770 40.9917 174.4717 38 A 4.7990 8.4535 123.3117 51.1861 20.4214 175.8335 39 H 4.6485 8.4480 120.6407 55.3150 32.7019 173.0617 40 S 4.6993 7.9862 118.5046 57.0006 63.0205 172.8959 41 S 4.6001 8.3107 120.6321 56.2749 65.1943 172.2616 42 P 3.6928 0.0000 0.0000 62.6682 31.5110 175.6580 43 W 3.9554 8.0577 115.6557 57.2484 26.1161 173.6100 44 P 4.3722 0.0000 0.0000 63.0548 31.8223 175.7448 45 A 4.5778 8.1100 121.9094 51.0133 22.7831 174.7220 46 F 5.0828 8.2385 113.1306 55.5684 40.6657 176.5541 47 T 4.1085 8.9562 112.3136 64.4397 69.4675 173.5582 48 E 5.1440 8.0958 119.3518 54.2462 32.8228 174.0700 49 T 4.2878 7.7625 108.3702 59.9868 71.7763 173.9789 50 I 3.4824 7.8780 121.3422 62.5912 37.7397 175.8636 51 H 3.8622 7.9491 119.3409 56.3695 27.7077 170.7775 52 P 4.6934 0.0000 0.0000 61.8170 33.3119 176.2004 53 D 4.5228 8.4910 116.6525 55.5576 39.7576 177.4100 54 S 4.4942 7.9907 114.6979 59.1062 63.6310 173.6023 55 V 4.6967 7.5147 112.6632 59.8714 34.5380 174.5628 56 T 4.8703 8.7098 116.8950 60.7223 71.5197 172.0838 57 K 5.2564 8.4684 122.6864 55.4239 36.4219 174.9789 58 C 4.9301 9.1237 114.8105 55.9587 33.0909 171.9060 59 P 4.7281 0.0000 0.0000 62.6653 31.8981 175.9665 60 E 4.2480 8.3308 120.9563 56.2022 30.3544 176.7720 61 K 4.3258 8.4985 119.1085 58.5308 33.9695 177.2964 62 N 4.6076 7.9589 113.8188 53.2049 38.5942 174.8932 63 R 4.6255 7.2965 118.0752 54.8112 30.8265 173.7317 64 P 4.7686 0.0000 0.0000 63.3768 31.6097 177.1054 65 E 4.5259 8.0365 115.3785 56.4942 30.7939 175.2348 66 A 4.5306 7.0218 119.8081 50.6601 22.7626 175.3805 67 L 4.9988 8.9380 119.3248 53.7835 44.5760 175.4300 68 K 4.6246 8.5165 119.6711 55.4683 35.1274 175.3066 69 V 4.8649 8.8793 123.0611 61.1302 34.5269 174.3811 70 S 4.8895 9.2172 121.4437 56.5703 66.6023 173.3466 71 C 4.9542 8.6226 122.0557 58.4422 29.5295 174.1456 72 G 3.7830 8.1442 111.1486 46.6146 0.0000 172.7391 73 K 4.1079 7.7823 118.7369 59.4290 32.1521 178.1073 74 C 4.2917 8.0896 110.6735 58.2417 30.8456 173.3161 75 G 3.7588 8.2145 107.6573 46.0628 0.0000 172.1252 76 N 4.7495 8.4509 120.5785 54.2263 41.1727 173.9306 77 G 4.6039 6.4977 112.6896 46.4884 0.0000 171.9753 78 L 4.5791 7.3531 117.6027 54.3680 44.9007 177.6272 79 G 4.3015 7.6898 104.8752 45.8629 0.0000 172.2408 80 H 5.4858 9.3835 116.2021 54.2618 33.9451 172.4213 81 E 4.5150 8.8804 120.0721 53.9450 32.4482 175.8281 82 F 4.4465 8.3159 131.4813 56.8878 38.4919 174.2117 83 L 4.3498 7.1780 124.9131 54.8423 43.2994 177.2082 84 N 4.4494 8.6925 118.4129 53.9255 36.9228 174.9929 85 D 4.5088 7.8621 116.3622 55.9650 41.7447 176.9469 86 G 4.1051 8.0258 105.8226 44.2854 0.0000 172.9398 87 P 4.3250 0.0000 0.0000 65.2716 31.2932 177.7648 88 K 4.0962 8.0145 117.5388 58.5222 32.3962 177.0709 89 R 4.4099 7.6539 117.1849 54.8477 31.8058 176.4931 90 G 3.9349 8.4780 106.3109 46.4545 0.0000 174.0923 91 Q 3.9618 7.8387 118.4253 56.5001 29.1838 175.7172 92 S 3.9028 8.7514 115.4544 57.9194 59.5002 171.4089 93 R 4.8126 7.6562 117.8280 53.9045 32.8362 175.2981 94 F 4.5299 9.1145 120.2513 57.8042 40.3490 174.0313 95 C 4.7839 8.8621 121.6477 57.6392 35.1120 172.7027 96 I 5.0489 7.9637 123.0015 59.1606 41.3270 174.3644 97 F 4.4039 8.6848 122.3313 56.2207 39.9029 177.4237 98 S 4.1664 8.6696 118.5175 61.4393 62.7849 175.2656 99 S 4.4272 8.2605 112.9460 59.1660 62.6014 174.3219 100 S 4.4661 8.3090 114.5002 61.2500 62.5765 173.5627 101 L 4.7399 7.5223 116.4875 54.9409 42.8381 174.6818 102 K 4.7363 9.2035 120.2920 55.1513 35.1262 174.8579 103 F 5.3633 8.8039 123.8701 56.4854 41.4667 175.0489 104 V 4.0513 7.8521 125.9333 58.9229 33.0246 173.5807 105 P 4.2091 0.0000 0.0000 61.6629 32.6162 175.9920 106 K 4.1554 8.4297 120.9968 55.6857 32.3135 177.3726 107 G 3.5911 8.1486 108.5262 47.7606 0.0000 173.8784 108 K 4.4768 7.3159 117.9599 55.9355 36.5467 177.4346 109 E 4.6275 8.1747 117.1763 55.7308 32.0908 178.1612 110 A 3.2809 9.9621 119.2569 51.0989 18.6145 179.5836 111 A 3.5578 8.7700 120.3001 55.3120 17.5859 175.9853 112 A 3.8882 8.7124 113.5417 52.5513 16.1804 176.5940 113 S 4.6226 7.6396 111.6033 58.6305 65.8765 173.7433 114 Q 4.6058 8.1581 119.9854 54.4051 30.2822 175.8732 115 G 3.9768 7.9819 105.2367 45.3085 0.0000 172.6344 116 H 4.7879 8.6141 119.7635 53.6474 31.1859 173.0326 117 L 4.2911 8.3905 126.0959 54.2524 42.9795 174.0562 118 E 4.7293 8.3500 123.5297 55.1998 32.4092 174.3848 119 H 4.8334 8.4019 115.8336 54.9693 31.1411 172.6358 120 H 4.7790 8.6518 121.6443 55.1478 32.5340 171.8814 121 H 4.9856 8.3273 125.1014 55.2197 32.8644 171.9128 122 H 4.7814 8.1522 121.2047 54.6491 32.6722 172.6823 123 H 4.5348 8.3789 122.0738 55.2435 32.5444 172.8960 124 H 4.4048 8.3592 121.4585 56.1504 27.9217 173.2148 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 8.30 4.52 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 2 S 8.38 4.33 0.00 3.92 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.84 3.52 0.00 3.24 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 4 C 7.53 4.96 0.00 2.91 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 5 S 8.50 4.45 0.00 4.02 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 6 F 7.92 5.03 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.77 5.14 0.00 2.80 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 8 G 8.42 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 9 G 5.38 3.44 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 0.00 10 E 7.04 4.74 0.00 1.92 1.95 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 2.28 2.52 0.00 11 V 8.43 3.91 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.95 0.00 0.00 12 F 8.13 4.23 0.00 3.25 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 13 Q 6.33 3.50 0.00 1.68 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 1.50 1.16 0.00 14 N 7.67 4.58 0.00 2.55 2.68 0.00 0.00 6.87 8.14 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 15 H 7.95 4.74 0.00 3.30 3.24 0.00 5.60 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 16 F 6.98 5.01 0.00 3.08 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 17 E 7.68 4.14 0.00 1.90 1.86 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 1.97 1.71 0.00 18 P 0.00 4.57 0.00 2.24 2.24 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 19 G 7.46 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 0.00 0.00 0.00 20 V 7.33 4.44 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 0.89 0.00 0.00 0.82 0.00 0.00 21 Y 8.38 5.40 0.00 2.90 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 22 V 8.79 5.01 2.22 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 0.62 0.00 0.00 0.97 0.00 0.00 23 C 8.55 4.63 0.00 3.04 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.93 4.21 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 25 K 8.16 4.42 0.00 1.72 1.82 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.38 7.81 26 C 8.08 4.36 0.00 3.12 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 27 S 7.93 3.94 0.00 4.15 4.08 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 28 Y 7.65 4.57 0.00 2.95 2.90 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 29 E 8.55 4.65 0.00 1.74 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 2.25 2.35 0.00 30 L 8.46 4.35 0.00 1.46 1.30 0.92 0.68 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 31 F 8.31 4.42 0.00 3.00 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 32 S 6.76 4.16 0.00 3.79 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.50 4.36 0.00 4.10 4.01 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 34 H 7.68 4.89 0.00 3.14 3.43 0.00 5.67 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.62 4.31 0.00 3.74 3.77 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 36 K 7.76 4.46 0.00 1.91 1.80 0.00 1.93 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.36 1.66 7.81 37 Y 7.94 5.01 0.00 3.07 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 38 A 8.45 4.80 1.35 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 39 H 8.45 4.65 0.00 3.12 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 7.99 4.70 0.00 3.87 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 41 S 8.31 4.60 0.00 3.94 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 42 P 0.00 3.69 0.00 0.49 1.10 0.00 3.61 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.40 0.00 43 W 8.06 3.96 0.00 3.34 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 44 P 0.00 4.37 0.00 2.20 2.10 0.00 3.87 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 45 A 8.11 4.58 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 46 F 8.24 5.08 0.00 3.35 3.11 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 47 T 8.96 4.11 4.42 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 1.42 0.00 0.00 48 E 8.10 5.14 0.00 1.91 1.98 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 2.34 2.44 0.00 49 T 7.76 4.29 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 0.21 0.00 0.00 50 I 7.88 3.48 1.72 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.17 0.76 0.00 0.00 51 H 7.95 3.86 0.00 3.18 3.19 0.00 5.72 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 52 P 0.00 4.69 0.00 2.23 2.06 0.00 3.77 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 53 D 8.49 4.52 0.00 2.83 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 54 S 7.99 4.49 0.00 3.95 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 55 V 7.51 4.70 2.25 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 0.66 0.00 0.00 0.92 0.00 0.00 56 T 8.71 4.87 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 57 K 8.47 5.26 0.00 1.87 1.78 0.00 1.51 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.50 7.81 58 C 9.12 4.93 0.00 2.90 2.99 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 0.00 0.00 0.00 59 P 0.00 4.73 0.00 2.05 2.05 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 60 E 8.33 4.25 0.00 2.16 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 2.24 2.30 0.00 61 K 8.50 4.33 0.00 1.79 1.87 0.00 1.43 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.42 7.81 62 N 7.96 4.61 0.00 2.81 2.95 0.00 0.00 5.75 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 63 R 7.30 4.63 0.00 1.70 1.68 0.00 3.06 0.00 0.00 3.36 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 64 P 0.00 4.77 0.00 2.13 2.09 0.00 3.65 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 65 E 8.04 4.53 0.00 1.81 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 2.20 2.16 0.00 66 A 7.02 4.53 0.26 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 67 L 8.94 5.00 0.00 1.78 1.62 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.52 4.62 0.00 1.69 1.67 0.00 1.20 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.30 7.81 69 V 8.88 4.86 2.23 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 1.10 0.00 0.00 1.16 0.00 0.00 70 S 9.22 4.89 0.00 3.95 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 71 C 8.62 4.95 0.00 3.03 2.90 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 72 G 8.14 3.78 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 0.00 0.00 0.00 73 K 7.78 4.11 0.00 1.91 1.90 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.55 7.81 74 C 8.09 4.29 0.00 3.09 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.21 3.76 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 0.00 76 N 8.45 4.75 0.00 2.70 2.75 0.00 0.00 7.05 8.45 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 77 G 6.50 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.35 4.58 0.00 1.68 1.46 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 79 G 7.69 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 0.00 0.00 0.00 0.00 80 H 9.38 5.49 0.00 3.09 3.16 0.00 5.76 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.88 4.51 0.00 1.42 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 82 F 8.32 4.45 0.00 3.02 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 83 L 7.18 4.35 0.00 1.70 1.42 0.89 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 84 N 8.69 4.45 0.00 2.92 2.95 0.00 0.00 6.88 8.04 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 85 D 7.86 4.51 0.00 3.05 2.91 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 86 G 8.03 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 0.00 0.00 0.00 87 P 0.00 4.32 0.00 2.20 2.22 0.00 3.88 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 2.00 2.01 0.00 88 K 8.01 4.10 0.00 1.77 1.91 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.46 7.81 89 R 7.65 4.41 0.00 1.96 1.94 0.00 3.20 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 90 G 8.48 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 7.84 3.96 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 6.39 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 92 S 8.75 3.90 0.00 3.99 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 93 R 7.66 4.81 0.00 1.96 1.87 0.00 3.13 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 94 F 9.11 4.53 0.00 2.92 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 95 C 8.86 4.78 0.00 2.83 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 96 I 7.96 5.05 2.04 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 1.57 1.23 1.04 0.00 0.00 97 F 8.68 4.40 0.00 3.21 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 98 S 8.67 4.17 0.00 4.05 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 99 S 8.26 4.43 0.00 3.99 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 0.00 100 S 8.31 4.47 0.00 4.03 4.06 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 0.00 101 L 7.52 4.74 0.00 1.94 1.65 0.92 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 102 K 9.20 4.74 0.00 1.77 1.84 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.58 7.81 103 F 8.80 5.36 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 0.00 104 V 7.85 4.05 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 0.72 0.00 0.00 0.77 0.00 0.00 105 P 0.00 4.21 0.00 1.93 1.84 0.00 3.43 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.85 0.00 106 K 8.43 4.16 0.00 1.85 1.88 0.00 1.50 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.38 7.81 107 G 8.15 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 0.00 108 K 7.32 4.48 0.00 1.69 1.74 0.00 1.58 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.42 7.81 109 E 8.17 4.63 0.00 1.86 1.59 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 2.22 2.33 0.00 110 A 9.96 3.28 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 0.00 111 A 8.77 3.56 1.35 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 0.00 112 A 8.71 3.89 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 0.00 113 S 7.64 4.62 0.00 3.97 3.84 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 0.00 114 Q 8.16 4.61 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 115 G 7.98 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 0.00 0.00 0.00 116 H 8.61 4.79 0.00 3.19 3.24 0.00 5.73 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 0.00 117 L 8.39 4.29 0.00 1.51 1.55 0.84 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.35 4.73 0.00 2.05 1.86 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 2.19 2.37 0.00 119 H 8.40 4.83 0.00 3.19 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 H 8.65 4.78 0.00 3.12 3.24 0.00 5.91 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 H 8.33 4.99 0.00 3.03 3.07 0.00 5.77 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 H 8.15 4.78 0.00 3.00 2.95 0.00 5.75 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 H 8.38 4.53 0.00 2.94 3.10 0.00 5.95 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 H 8.36 4.40 0.00 3.19 3.20 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00