NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3118 8.4444 120.2279 55.7819 31.2777 174.3109 3 S 4.5163 7.7362 112.6468 56.5222 66.0615 171.6524 4 K 4.4372 9.1031 121.9521 57.3568 34.6427 178.6059 5 R 3.9236 7.8948 117.0118 58.3587 30.0689 177.2823 6 N 4.8857 8.0268 113.5682 52.7427 38.9957 174.3871 7 K 4.4370 7.7280 120.3394 54.5109 33.1993 174.6915 8 P 4.8063 0.0000 0.0000 63.4281 32.2501 175.4066 9 G 3.9572 8.5631 108.3846 45.7402 0.0000 171.9627 10 K 5.0618 8.3430 119.0857 54.4375 34.0865 176.6911 11 A 4.7131 8.7814 126.3890 52.3241 19.5767 176.6557 12 T 4.8280 9.0298 111.0169 59.9627 73.1062 173.5180 13 G 4.0076 9.0613 107.5083 45.3243 0.0000 173.5050 14 K 4.1534 9.4191 117.9619 55.6662 33.3906 178.7521 15 G 4.2480 8.3334 107.0077 44.9207 0.0000 172.5347 16 K 4.6649 8.0826 116.0653 53.7799 36.3115 174.2065 17 P 4.7371 0.0000 0.0000 62.9783 31.7484 176.3454 18 V 4.6014 8.0316 114.4844 59.5563 36.0316 174.9890 19 G 4.4489 8.0385 109.2347 44.4038 0.0000 173.0778 20 D 4.7795 8.7774 117.3598 56.6439 41.1674 177.2177 21 K 4.4752 8.0576 117.4301 56.2436 32.4733 177.9176 22 W 4.5035 8.2310 130.5371 61.3208 30.5196 178.0412 23 L 3.3413 7.7800 117.2923 56.7891 40.9910 178.9221 24 D 4.4179 7.4064 117.2071 57.4985 40.7406 178.3462 25 D 4.4051 8.2340 119.0041 57.1201 40.7497 178.5815 26 A 4.3886 7.8310 121.0594 54.3508 17.9638 178.7296 27 G 3.8893 7.5170 104.7716 45.1309 0.0000 173.5554 28 K 4.6750 7.6190 118.7149 55.3561 36.7591 176.3141 29 D 4.2634 8.2385 121.4200 56.3675 39.2197 175.1624 30 S 4.4067 8.9593 124.3301 59.2234 62.8274 174.0158 31 G 3.8649 8.2862 107.5317 44.3737 0.0000 172.7112 32 A 4.6736 8.4659 120.2718 50.3317 20.0740 175.8774 33 P 4.8126 0.0000 0.0000 62.3797 32.9961 176.0425 34 I 4.0218 8.3096 121.5471 60.5475 38.1401 174.2889 35 P 4.5163 0.0000 0.0000 62.3319 32.0209 176.7917 36 D 5.0090 8.7122 124.7050 56.3914 39.0748 179.7153 37 R 3.8509 7.7382 118.5212 58.9738 30.0710 178.9790 38 I 3.7280 7.4698 118.9459 64.1968 37.2420 178.0844 39 A 4.0670 8.2095 121.9013 55.3092 17.9273 179.4171 40 D 4.3286 8.0349 116.6980 57.4428 40.9334 178.7804 41 K 4.1626 7.4790 116.9123 58.4185 32.4654 178.4700 42 L 4.5875 7.9390 118.0699 54.1194 42.3591 176.6276 43 R 4.2196 7.4336 119.3148 58.1731 30.2313 176.4084 44 D 4.6996 9.1824 123.7389 54.3503 40.0131 174.5986 45 K 4.0687 7.7702 119.6775 56.0919 33.3093 175.5818 46 E 4.6065 8.1786 124.6054 55.0059 30.9841 175.0452 47 F 4.9089 8.6716 125.1220 55.6584 41.7230 176.8108 48 K 4.1198 9.1189 122.1398 58.8113 32.6607 177.3772 49 S 5.0435 7.6645 112.7549 56.9140 67.1354 175.2332 50 F 4.2631 9.5710 124.8461 61.5020 38.9390 176.8135 51 D 4.3262 8.3031 117.3967 57.3901 41.0610 177.8085 52 D 4.4149 8.2738 119.4145 57.1774 40.7418 178.4050 53 F 2.8698 8.1392 121.1936 60.7570 39.3911 177.0300 54 R 3.3857 7.6734 118.5032 59.1810 29.8006 178.1028 55 K 4.2093 8.3690 120.5256 58.9783 32.0632 178.4376 56 A 3.9041 7.7370 120.7698 54.9280 18.1667 179.5031 57 V 3.0461 7.0626 116.8476 66.0844 31.3565 178.4622 58 W 4.4830 7.5992 118.0393 59.7110 28.9230 178.4575 59 E 4.1370 8.5431 118.9156 59.5281 28.6349 179.2874 60 E 3.9801 8.1093 118.0403 59.0985 29.8002 179.0088 61 V 3.7801 8.1148 119.0038 66.1632 31.3961 178.1499 62 S 4.2175 8.2096 112.7450 61.4881 62.8198 176.0849 63 K 4.3807 7.7552 119.0995 56.1811 32.3126 176.1564 64 D 4.7356 7.5989 120.5297 51.6644 41.8093 174.8350 65 P 4.4152 0.0000 0.0000 66.1770 30.9338 178.1956 66 E 4.0204 8.2384 117.4659 58.5519 29.4456 178.6746 67 L 4.3934 7.8616 118.5877 57.1919 42.3346 179.0875 68 S 4.2844 8.6395 114.6573 60.9537 62.7482 176.3828 69 K 4.0394 7.8736 121.2234 59.1289 32.2072 177.1703 70 N 4.8871 7.8637 117.1469 52.7645 38.7243 173.9786 71 L 4.7971 7.7861 118.6816 52.6487 44.3186 176.8449 72 N 4.7371 8.3963 120.0863 51.5697 39.9079 174.2691 73 P 4.2671 0.0000 0.0000 65.9819 31.3639 179.1192 74 S 4.1063 8.0333 113.1455 61.8392 62.9226 176.3966 75 N 4.4817 8.6774 119.1390 56.0766 38.2286 177.5378 76 K 3.9763 8.5261 120.5063 59.7214 31.9499 179.3457 77 S 4.1369 7.9025 113.9998 61.6512 63.0604 176.7096 78 S 4.3161 7.9843 117.2049 61.9692 62.6342 177.3704 79 V 4.1194 8.2410 116.3632 63.7487 31.0096 178.7729 80 S 4.1385 8.0122 113.5650 60.9907 62.7645 175.7809 81 K 4.1855 7.5042 119.3875 55.6484 31.6434 177.6782 82 G 4.0556 8.2668 108.4662 45.8543 0.0000 173.6230 83 Y 4.5381 7.3977 117.3004 57.5197 38.6742 175.2847 84 S 2.7908 8.1618 119.1592 57.1059 63.8469 172.7037 85 P 4.5488 0.0000 0.0000 62.5621 32.5949 175.4863 86 F 4.4583 9.4216 121.1618 57.6559 39.5582 175.7267 87 T 4.0752 8.0967 113.7096 59.6338 70.4349 172.7445 88 P 4.3302 0.0000 0.0000 62.3911 32.2148 177.4190 89 K 3.9316 8.9433 122.9949 59.8423 31.9652 178.0586 90 N 4.5601 8.0786 112.8581 54.3424 37.7528 175.1398 91 Q 4.4152 8.0936 117.8994 55.8382 29.6025 175.4253 92 Q 4.5181 7.6574 117.5587 55.0685 29.9295 176.0292 93 V 4.2026 8.2007 119.5677 61.6010 34.0378 176.4639 94 G 3.6901 8.3821 119.6491 46.9513 0.0000 174.0803 95 G 3.6492 8.8551 113.1104 46.0377 0.0000 173.2220 96 R 4.2907 8.0530 120.7507 54.9462 29.5827 176.6655 97 K 4.5477 8.2356 120.8590 55.6561 33.9197 176.2106 98 V 4.4366 6.9505 110.9727 58.8000 35.2708 175.0407 99 Y 4.2521 8.0374 120.3888 58.6988 38.5682 175.8500 100 E 4.9175 9.5079 122.7467 54.5283 32.8289 175.2467 101 L 4.9434 8.7868 123.6843 54.7067 42.9914 175.6888 102 H 4.9991 9.5088 122.7516 54.6817 33.5647 171.7877 103 H 4.9361 8.5037 121.6418 54.5086 29.1234 174.3185 104 D 4.3241 8.9137 124.7600 57.0030 41.7934 176.6458 105 K 4.2491 8.8842 123.1411 54.2171 32.3822 174.1668 106 P 4.5303 0.0000 0.0000 62.6908 32.0988 177.7299 107 I 3.8406 8.5132 122.1407 63.8805 37.1757 178.5343 108 S 4.1192 7.9969 113.2401 60.3951 62.8275 174.6918 109 Q 4.4423 8.0603 118.7849 55.6294 28.8573 176.2868 110 G 3.9180 8.3607 106.5579 44.9280 0.0000 174.8522 111 G 4.1357 7.8862 108.7371 44.7605 0.0000 173.1025 112 E 4.2581 8.3840 121.3314 55.6823 30.3394 177.5519 113 V 3.2224 8.3896 123.5839 65.4970 31.8200 176.2955 114 Y 4.3249 7.7559 114.2697 57.4157 38.7050 174.2891 115 D 4.8848 7.7908 120.6888 52.7504 41.3327 176.9278 116 M 4.2158 9.1756 128.3098 58.1213 32.1208 178.3275 117 D 4.5258 8.4922 117.5363 55.9923 41.2420 176.1899 118 N 4.8620 8.5009 117.9398 53.2226 39.9703 173.7453 119 I 4.9875 7.5427 117.5160 60.1091 40.0387 175.1951 120 R 4.9553 9.0859 123.3163 54.6377 35.0459 174.0643 121 V 4.8635 9.0387 122.1702 61.8916 33.3822 174.9376 122 T 5.3790 9.2669 117.5963 60.0200 72.6187 173.3291 123 T 4.3248 8.4110 112.8217 60.5665 70.5596 173.9661 124 P 4.2078 0.0000 0.0000 65.7622 31.4035 178.6660 125 K 3.8410 7.9548 118.0925 59.7122 32.0217 178.7784 126 R 3.8920 7.8366 118.3711 59.4852 30.0115 177.8696 127 H 4.1754 8.6190 118.5266 59.3415 29.6712 177.2273 128 I 3.6636 7.6438 120.2237 64.5887 37.0377 177.7750 129 D 4.5015 7.7590 118.0652 57.3954 40.7085 178.5320 130 I 3.7995 7.7391 119.4005 64.6914 37.2399 176.3961 131 H 4.5645 7.9239 119.7431 56.0118 28.8207 175.1229 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 2 E 8.44 4.31 0.00 1.98 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 0.00 2.21 2.31 0.00 3 S 7.74 4.52 0.00 3.85 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 9.10 4.44 0.00 1.76 1.74 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.40 7.81 5 R 7.89 3.92 0.00 1.88 2.00 0.00 3.05 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 1.43 1.51 0.00 6 N 8.03 4.89 0.00 2.75 2.90 0.00 0.00 6.85 7.61 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 7 K 7.73 4.44 0.00 1.81 1.94 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.48 7.81 8 P 0.00 4.81 0.00 2.00 2.06 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.31 0.00 9 G 8.56 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 10 K 8.34 5.06 0.00 1.61 1.70 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.65 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 1.34 7.81 11 A 8.78 4.71 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 9.03 4.83 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 1.24 0.00 0.00 13 G 9.06 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 0.00 0.00 0.00 14 K 9.42 4.15 0.00 1.87 1.85 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.41 7.81 15 G 8.33 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 0.00 0.00 0.00 0.00 16 K 8.08 4.66 0.00 1.79 1.64 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.41 7.81 17 P 0.00 4.74 0.00 2.02 1.96 0.00 3.61 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.19 0.00 18 V 8.03 4.60 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 0.63 0.00 0.00 0.44 0.00 0.00 19 G 8.04 4.45 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 0.00 0.00 0.00 20 D 8.78 4.78 0.00 2.72 2.80 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 21 K 8.06 4.48 0.00 1.87 1.85 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.46 7.81 22 W 8.23 4.50 0.00 3.54 3.30 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 23 L 7.78 3.34 0.00 1.48 1.11 0.48 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.41 4.42 0.00 3.09 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 25 D 8.23 4.41 0.00 3.05 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 26 A 7.83 4.39 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 27 G 7.52 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 0.00 0.00 0.00 28 K 7.62 4.68 0.00 1.91 1.66 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.35 1.39 7.81 29 D 8.24 4.26 0.00 2.84 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 0.00 0.00 0.00 30 S 8.96 4.41 0.00 3.89 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 G 8.29 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 32 A 8.47 4.67 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 33 P 0.00 4.81 0.00 2.14 2.13 0.00 4.00 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 34 I 8.31 4.02 1.92 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 1.60 0.92 0.91 0.00 0.00 35 P 0.00 4.52 0.00 1.74 1.43 0.00 3.31 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 0.78 0.51 0.00 36 D 8.71 5.01 0.00 2.88 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 37 R 7.74 3.85 0.00 1.71 1.92 0.00 3.01 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 38 I 7.47 3.73 1.83 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.52 0.74 0.00 0.00 39 A 8.21 4.07 1.39 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 0.00 0.00 0.00 40 D 8.03 4.33 0.00 2.81 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 41 K 7.48 4.16 0.00 1.90 1.85 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.53 7.81 42 L 7.94 4.59 0.00 1.85 2.00 0.57 0.88 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 43 R 7.43 4.22 0.00 2.01 1.89 0.00 3.35 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 44 D 9.18 4.70 0.00 2.85 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 45 K 7.77 4.07 0.00 1.69 1.20 0.00 1.82 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.38 7.81 46 E 8.18 4.61 0.00 1.80 1.63 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 2.09 2.29 0.00 47 F 8.67 4.91 0.00 2.86 3.20 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 48 K 9.12 4.12 0.00 2.02 1.95 0.00 1.83 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.45 7.81 49 S 7.66 5.04 0.00 4.17 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 50 F 9.57 4.26 0.00 3.03 3.17 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 0.00 0.00 0.00 51 D 8.30 4.33 0.00 2.85 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 52 D 8.27 4.41 0.00 3.18 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 53 F 8.14 2.87 0.00 2.77 2.80 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 54 R 7.67 3.39 0.00 1.61 2.03 0.00 3.34 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.80 0.00 55 K 8.37 4.21 0.00 1.91 1.99 0.00 1.82 0.00 0.00 1.81 0.00 0.00 3.25 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.60 1.43 7.81 56 A 7.74 3.90 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 57 V 7.06 3.05 1.36 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 0.24 0.00 0.00 -0.01 0.00 0.00 58 W 7.60 4.48 0.00 3.54 3.30 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 59 E 8.54 4.14 0.00 2.13 2.02 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 2.36 2.63 0.00 60 E 8.11 3.98 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 61 V 8.11 3.78 2.60 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 1.40 0.00 0.00 1.10 0.00 0.00 62 S 8.21 4.22 0.00 4.10 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 0.00 63 K 7.76 4.38 0.00 1.89 1.89 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.52 7.81 64 D 7.60 4.74 0.00 2.77 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 65 P 0.00 4.42 0.00 2.30 2.30 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 66 E 8.24 4.02 0.00 2.07 2.02 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 2.32 2.46 0.00 67 L 7.86 4.39 0.00 1.69 1.75 0.53 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.64 4.28 0.00 4.06 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.87 4.04 0.00 1.99 2.18 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.27 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.69 1.52 7.81 70 N 7.86 4.89 0.00 2.87 2.92 0.00 0.00 6.64 6.59 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 71 L 7.79 4.80 0.00 1.77 1.60 1.03 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.40 4.74 0.00 2.93 2.99 0.00 0.00 6.16 7.76 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 73 P 0.00 4.27 0.00 2.18 2.16 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 74 S 8.03 4.11 0.00 3.97 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 75 N 8.68 4.48 0.00 2.93 2.92 0.00 0.00 7.09 6.98 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 76 K 8.53 3.98 0.00 1.99 1.89 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.67 7.81 77 S 7.90 4.14 0.00 4.04 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 78 S 7.98 4.32 0.00 4.15 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 79 V 8.24 4.12 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.12 0.00 0.00 80 S 8.01 4.14 0.00 4.01 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 81 K 7.50 4.19 0.00 0.92 1.13 0.00 1.38 0.00 0.00 1.34 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.22 1.32 7.81 82 G 8.27 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 0.00 0.00 0.00 83 Y 7.40 4.54 0.00 2.99 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.16 2.79 0.00 3.49 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 85 P 0.00 4.55 0.00 2.12 2.05 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.43 0.00 86 F 9.42 4.46 0.00 2.89 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 87 T 8.10 4.08 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 0.02 0.00 0.00 88 P 0.00 4.33 0.00 2.31 2.02 0.00 3.55 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 2.14 2.12 0.00 89 K 8.94 3.93 0.00 1.77 1.82 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.45 7.81 90 N 8.08 4.56 0.00 2.84 2.91 0.00 0.00 5.91 7.39 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 91 Q 8.09 4.42 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 92 Q 7.66 4.52 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 93 V 8.20 4.20 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 0.96 0.00 0.00 0.93 0.00 0.00 94 G 8.38 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 95 G 8.86 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 96 R 8.05 4.29 0.00 2.01 1.97 0.00 3.04 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 97 K 8.24 4.55 0.00 1.71 1.91 0.00 1.70 0.00 0.00 2.02 0.00 0.00 2.90 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.42 7.81 98 V 6.95 4.44 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.67 0.00 0.00 99 Y 8.04 4.25 0.00 2.68 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 0.00 100 E 9.51 4.92 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 101 L 8.79 4.94 0.00 1.94 1.93 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.51 5.00 0.00 2.87 3.17 0.00 5.76 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 H 8.50 4.94 0.00 2.91 3.28 0.00 5.96 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 0.00 104 D 8.91 4.32 0.00 2.63 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 0.00 105 K 8.88 4.25 0.00 1.75 1.75 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.38 7.81 106 P 0.00 4.53 0.00 2.20 1.98 0.00 3.64 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 107 I 8.51 3.84 1.67 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.75 0.75 0.00 0.00 108 S 8.00 4.12 0.00 3.94 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 0.00 109 Q 8.06 4.44 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.68 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 110 G 8.36 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 0.00 0.00 0.00 111 G 7.89 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 0.00 112 E 8.38 4.26 0.00 1.95 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 2.29 2.23 0.00 113 V 8.39 3.22 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 -0.15 0.00 0.00 0.67 0.00 0.00 114 Y 7.76 4.32 0.00 3.14 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 0.00 115 D 7.79 4.88 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 M 9.18 4.22 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.77 0.00 117 D 8.49 4.53 0.00 2.81 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 0.00 118 N 8.50 4.86 0.00 2.79 2.84 0.00 0.00 6.86 7.27 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 0.00 119 I 7.54 4.99 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.89 1.13 0.00 0.00 120 R 9.09 4.96 0.00 1.73 1.91 0.00 3.33 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.91 0.00 121 V 9.04 4.86 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 1.09 0.00 0.00 1.03 0.00 0.00 122 T 9.27 5.38 4.23 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 1.17 0.00 0.00 123 T 8.41 4.32 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 1.17 0.00 0.00 124 P 0.00 4.21 0.00 2.21 2.10 0.00 3.60 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 2.05 2.27 0.00 125 K 7.95 3.84 0.00 1.93 1.93 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 126 R 7.84 3.89 0.00 1.99 1.91 0.00 3.20 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 127 H 8.62 4.18 0.00 3.36 3.27 0.00 5.67 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 0.00 128 I 7.64 3.66 1.86 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 1.49 0.71 0.90 0.00 0.00 129 D 7.76 4.50 0.00 2.89 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.74 3.80 1.90 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.60 0.76 0.00 0.00 131 H 7.92 4.56 0.00 3.12 3.17 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00