NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9464 8.3549 109.7371 44.9871 0.0000 173.7416 2 S 4.0825 8.5298 122.5952 57.6607 63.5870 173.0874 3 S 4.2298 9.0307 121.3941 62.8751 64.5328 174.4656 4 G 4.0383 8.4112 106.2774 45.4066 0.0000 174.8885 5 S 4.1553 9.1112 113.8140 59.8522 63.6688 173.3092 6 S 4.4708 8.6688 116.5089 59.5849 61.7864 170.6497 7 G 3.2245 8.3501 114.0471 45.1752 0.0000 171.9123 8 Q 4.0137 8.2099 124.7256 58.6715 29.3911 177.0504 9 K 4.5362 7.4939 114.4957 54.1723 34.4625 176.2330 10 I 3.9280 7.9553 120.7229 61.8364 37.5702 176.1442 11 E 4.4354 8.3836 122.4489 55.7075 29.7525 176.8632 12 K 4.0142 7.9953 119.0781 57.1897 32.8230 175.1615 13 Q 4.5869 8.5082 119.2178 56.3334 29.1866 174.5668 14 Y 4.6450 7.8937 118.3983 56.8320 40.4918 174.3039 15 D 4.7378 6.9862 123.5426 51.9809 44.6545 176.0706 16 A 4.1302 8.4178 122.9109 52.9811 19.6344 178.7684 17 D 4.3098 7.7605 116.4390 56.1680 41.4352 177.7327 18 L 3.9218 7.5202 118.8500 56.6063 42.0730 178.2653 19 E 3.5871 7.3198 119.3792 59.2764 29.2527 178.7844 20 Q 3.9374 7.3875 117.4901 59.5921 28.3011 178.9510 21 I 3.1960 6.9252 119.5662 63.6870 37.0282 178.0421 22 L 4.2842 7.9485 120.0252 58.2985 41.4531 179.4938 23 I 4.0292 7.9943 119.2982 64.8632 36.9436 178.6181 24 Q 3.9314 7.6007 118.4886 58.7678 28.4816 178.2067 25 W 4.6047 8.3261 129.8976 60.0942 31.0113 177.9526 26 I 2.9702 8.5404 120.2162 64.7181 36.5081 178.1200 27 T 4.0468 7.7186 108.9020 65.4356 68.3901 176.1752 28 T 4.0277 7.4230 116.0864 66.3677 68.7214 176.1330 29 Q 3.9769 8.0318 121.1390 58.1657 29.2078 177.4554 30 C 4.1555 7.1041 114.0088 57.5330 29.5434 172.9924 31 R 3.7838 8.1208 125.1736 59.0471 30.1946 177.3915 32 K 3.9473 7.6430 118.3796 57.2465 33.2116 176.6733 33 D 4.6586 8.2193 119.4993 52.6599 40.0500 176.1086 34 V 3.6737 8.3412 120.6016 64.0369 32.3245 175.5517 35 G 3.1725 8.7589 106.8339 46.0473 0.0000 174.2659 36 R 3.3728 7.5778 120.3601 54.9048 29.7835 173.8574 37 P 4.3468 0.0000 0.0000 61.5913 32.4282 176.2564 38 Q 4.0902 8.1673 115.4834 55.6997 29.0686 174.9044 39 P 4.3783 0.0000 0.0000 63.8397 31.4014 176.6965 40 G 3.8158 7.6279 108.9240 45.7191 0.0000 174.4313 41 R 4.2990 8.3002 114.5289 56.3985 30.1794 177.2223 42 E 4.2103 7.9929 118.0704 58.6632 30.4326 177.7667 43 N 4.5014 8.3819 116.5788 56.5043 39.4244 176.6646 44 F 3.9359 7.6544 121.9774 61.3770 39.5602 177.0365 45 Q 4.1023 8.4410 118.5856 59.6543 28.9703 178.1695 46 N 4.5140 8.5363 117.5969 55.6482 38.2405 177.1973 47 W 4.4559 8.0052 128.8591 60.7072 31.0767 177.4464 48 L 3.9563 7.7910 117.9240 56.4349 40.9904 178.9437 49 K 4.0012 8.3305 119.8571 59.8939 32.2432 177.3446 50 D 4.5904 7.6879 116.6755 57.0005 41.2154 176.5927 51 G 4.0774 8.9063 108.4457 46.4784 0.0000 175.1033 52 T 3.6132 7.5646 108.4083 65.1662 68.3512 175.6274 53 V 3.4983 7.4110 120.8002 64.9051 31.5317 178.3232 54 L 3.3028 7.1714 117.0257 57.9044 41.4996 179.6145 55 C 4.0052 7.9365 116.5383 62.9388 28.1721 175.9662 56 E 3.8252 8.2687 120.3927 59.7884 28.9953 178.5633 57 L 3.6635 7.2941 120.5528 57.3672 42.0423 178.4416 58 I 3.7112 7.2482 118.2124 64.3723 37.8030 177.8940 59 N 4.5392 8.2922 116.8039 55.9459 38.4685 176.8968 60 A 4.1143 7.7224 121.5606 55.7352 18.4875 178.8323 61 L 3.9624 7.7333 116.7524 56.4220 41.9765 176.9648 62 Y 4.1484 7.3774 118.4017 57.8314 38.9736 175.2447 63 P 4.6134 0.0000 0.0000 61.5752 32.5403 175.1494 64 E 4.0439 8.5626 116.3169 58.2169 29.5535 176.0190 65 G 4.3910 9.0658 113.6664 45.9958 0.0000 174.7768 66 Q 3.9655 8.0229 117.0041 58.0514 28.9973 177.0136 67 A 3.9609 7.5845 119.4190 52.0357 18.7376 175.7595 68 P 4.1260 0.0000 0.0000 64.7868 31.6707 176.5015 69 V 4.1312 7.1405 118.4089 60.8407 30.9412 175.2673 70 K 4.0752 8.4637 126.2250 58.8395 32.4087 178.2751 71 K 4.1257 7.8251 117.9662 55.8914 32.2909 176.7336 72 I 4.3920 8.1465 124.2872 59.3804 38.9221 174.1556 73 Q 4.3659 8.2917 125.0581 53.8764 31.5881 175.6541 74 A 4.1490 8.4729 128.5076 51.8406 16.4357 175.5031 75 S 4.5083 8.1504 116.5894 57.5718 62.5051 175.2355 76 T 3.9216 8.6450 123.4767 66.6593 68.6824 175.0774 77 M 3.8906 7.7752 118.7788 55.8507 32.5293 177.5417 78 A 4.6966 8.8459 126.1574 54.7397 18.3650 179.6510 79 F 4.1667 8.2065 118.9568 61.1288 39.4926 177.4532 80 K 3.4418 7.9111 117.6971 59.5222 31.6539 178.5847 81 Q 4.1085 7.9372 118.9196 59.0205 28.7348 179.4564 82 M 3.5556 7.2809 117.3015 58.8123 32.0824 178.6539 83 E 3.7350 7.4601 118.5233 59.3954 29.4804 178.6592 84 Q 3.9459 7.9639 119.0731 59.1623 29.3695 178.3233 85 I 3.9808 7.7890 121.0480 64.3070 37.1904 178.1569 86 S 4.0028 8.0146 113.5356 61.4887 61.5945 175.7264 87 Q 4.0462 7.8650 120.2719 59.1436 28.4206 179.3457 88 F 4.2972 8.1773 120.9019 61.1842 39.6070 177.0725 89 L 3.1260 7.6575 118.0195 58.0028 41.0140 179.2713 90 Q 3.8258 8.2294 117.6544 59.2161 28.6601 179.4489 91 A 4.0364 7.3410 117.2272 53.9539 18.7420 179.1618 92 A 3.8761 7.7247 119.4626 55.4404 18.6405 179.2560 93 E 4.2607 7.9247 118.7830 59.0616 29.6292 179.2102 94 R 4.0331 7.3039 116.1578 59.0632 30.0420 178.1035 95 Y 4.5059 8.5654 120.1839 58.4400 38.5850 178.0473 96 G 4.6925 7.6071 119.3273 46.9744 0.0000 172.9611 97 I 3.8495 7.3716 120.3536 61.5310 37.8969 173.8750 98 N 4.9293 8.3990 120.2714 51.9083 40.0213 176.1646 99 T 3.8236 8.4535 115.1006 64.7644 68.9261 175.8516 100 T 3.7659 8.1911 115.7165 63.8262 67.5464 174.1030 101 D 4.8456 8.0860 119.9747 55.6039 42.8048 177.1879 102 I 3.9884 7.2470 118.0189 60.9224 37.4980 175.9231 103 F 4.7439 8.4248 119.0050 56.1351 39.6940 174.3779 104 Q 4.6296 8.3937 117.7423 54.4937 30.7521 177.0528 105 T 4.0525 8.7173 118.4191 67.2180 68.4059 177.1450 106 V 3.9364 7.8914 120.1576 64.9778 31.8005 177.6815 107 D 4.5676 7.8506 119.7044 56.6892 40.6061 178.3449 108 L 4.2810 8.0329 118.9461 56.5661 42.8680 177.6262 109 W 4.4405 8.0625 127.3710 60.5967 30.5150 176.7284 110 E 4.0729 8.8416 114.8873 55.9488 29.5105 176.2915 111 G 3.8948 7.9653 106.7721 46.6854 0.0000 175.6774 112 K 4.1544 8.4305 120.2883 58.4067 33.2697 178.0292 113 N 5.1377 7.9943 114.5243 52.0006 38.6579 175.3930 114 M 3.9939 7.9745 118.8239 58.2448 33.1114 177.7119 115 A 4.2335 8.0123 119.4841 55.3825 18.8899 178.3658 116 C 4.2738 8.4806 118.3604 62.2017 31.7689 175.7693 117 V 3.5069 7.7369 119.9413 65.2082 30.5186 178.0797 118 Q 4.0064 7.6773 117.4563 58.1238 28.7403 178.2617 119 R 4.3482 8.2738 119.4471 58.5614 30.8382 177.9621 120 T 4.0841 8.1999 115.0383 67.0353 68.4166 176.1115 121 L 4.2552 8.1898 120.0196 58.3578 41.8596 179.1237 122 M 4.2812 8.4211 118.0476 59.1008 31.9157 178.6546 123 N 4.3932 8.2385 115.8457 56.1535 38.5770 177.0777 124 L 4.1499 8.6053 122.3566 58.0603 42.0994 179.4695 125 G 2.0000 7.3142 105.0779 47.1390 0.0000 175.6994 126 G 3.7049 7.1848 107.4408 47.3741 0.0000 175.4088 127 L 4.1280 8.0056 120.6751 57.5591 41.6907 179.1902 128 A 4.2150 7.7146 122.0448 54.6879 18.1861 179.7384 129 V 3.1489 7.3505 114.3703 64.7521 31.5488 176.9199 130 A 4.3525 7.6641 118.5471 52.2638 19.2731 177.0643 131 R 4.3603 7.7245 117.2202 55.3094 31.6800 175.9294 132 D 4.9296 8.2483 114.7567 54.2085 42.1104 176.8231 133 D 4.3577 8.2604 121.2621 55.5307 41.3377 176.5876 134 G 3.9163 8.2260 105.6035 46.7646 0.0000 174.0766 135 L 4.4615 8.1223 119.6783 55.9170 43.2671 177.1529 136 F 4.1411 7.9964 118.2908 58.2438 39.9906 173.9290 137 S 4.3480 7.6630 121.1566 56.9966 66.3719 174.0874 138 G 4.1853 8.4502 109.4119 44.7495 0.0000 173.2379 139 D 4.0535 6.8370 118.6673 53.6535 40.4921 176.3952 140 P 4.4728 0.0000 0.0000 65.0507 31.9738 178.4144 141 N 4.1192 8.1165 116.4155 56.5184 38.7803 176.3324 142 W 4.6371 6.8254 116.4046 59.2862 29.0950 176.3486 143 F 4.9207 7.0416 115.0830 54.5082 40.4483 173.9207 144 P 4.3776 0.0000 0.0000 62.7519 31.5929 176.3157 145 K 4.2044 8.5393 120.7530 56.4927 33.0435 176.7907 146 K 3.8736 7.7967 120.5856 57.3023 32.5072 175.4399 147 S 4.7017 8.3785 119.1875 56.6284 64.8515 173.9084 148 K 4.5014 8.3422 125.1250 54.7972 34.1390 174.7048 149 E 4.6534 8.3923 120.2190 54.5676 31.8875 176.4185 150 S 4.6715 8.4232 119.0358 56.9258 65.3244 174.0809 151 G 4.0033 8.0433 110.8135 44.3983 0.0000 171.8769 152 P 4.4376 0.0000 0.0000 61.9490 32.1002 176.0434 153 S 4.1740 8.4807 114.2049 58.1793 63.1174 174.3329 154 S 3.9067 8.5435 116.1708 59.5380 62.9107 175.2577 155 G 3.7348 9.0386 112.8968 45.4974 0.0000 173.3781 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 G 8.35 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 2 S 8.53 4.08 0.00 3.95 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.03 4.23 0.00 4.02 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 G 8.41 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 9.11 4.16 0.00 3.84 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 6 S 8.67 4.47 0.00 3.84 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 7 G 8.35 3.22 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 0.00 8 Q 8.21 4.01 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 9 K 7.49 4.54 0.00 1.73 1.73 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.43 7.81 10 I 7.96 3.93 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.46 0.94 0.00 0.00 11 E 8.38 4.44 0.00 1.97 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 2.29 2.24 0.00 12 K 8.00 4.01 0.00 1.71 1.79 0.00 1.68 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.59 7.81 13 Q 8.51 4.59 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 14 Y 7.89 4.65 0.00 2.95 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 6.99 4.74 0.00 2.52 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 16 A 8.42 4.13 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 17 D 7.76 4.31 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.52 3.92 0.00 1.52 1.56 0.84 0.79 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 19 E 7.32 3.59 0.00 1.57 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 20 Q 7.39 3.94 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.50 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 21 I 6.93 3.20 1.73 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 1.22 0.68 -0.01 0.00 0.00 22 L 7.95 4.28 0.00 2.13 2.17 0.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.99 4.03 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.60 0.00 0.00 24 Q 7.60 3.93 0.00 1.68 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 25 W 8.33 4.60 0.00 3.38 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.54 2.97 2.18 0.00 0.00 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 1.39 1.27 0.40 0.00 0.00 27 T 7.72 4.05 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 1.36 0.00 0.00 28 T 7.42 4.03 4.63 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 1.33 0.00 0.00 29 Q 8.03 3.98 0.00 1.06 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.77 0.00 0.00 0.00 0.00 0.00 1.97 2.23 0.00 30 C 7.10 4.16 0.00 3.05 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 31 R 8.12 3.78 0.00 1.79 1.93 0.00 3.21 0.00 0.00 3.26 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 32 K 7.64 3.95 0.00 1.83 1.82 0.00 1.42 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.46 7.81 33 D 8.22 4.66 0.00 2.64 2.66 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 34 V 8.34 3.67 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 0.78 0.00 0.00 1.19 0.00 0.00 35 G 8.76 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 0.00 0.00 0.00 36 R 7.58 3.37 0.00 1.71 1.84 0.00 3.17 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.48 0.00 37 P 0.00 4.35 0.00 1.97 1.70 0.00 2.27 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.44 0.00 38 Q 8.17 4.09 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.02 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 39 P 0.00 4.38 0.00 2.16 2.15 0.00 3.71 0.00 0.00 3.58 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 40 G 7.63 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.30 4.30 0.00 1.96 2.14 0.00 2.72 0.00 0.00 2.73 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 42 E 7.99 4.21 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 43 N 8.38 4.50 0.00 2.73 2.77 0.00 0.00 6.78 7.63 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 44 F 7.65 3.94 0.00 3.18 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 45 Q 8.44 4.10 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.67 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 46 N 8.54 4.51 0.00 2.92 2.87 0.00 0.00 6.87 7.32 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 47 W 8.01 4.46 0.00 3.17 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 48 L 7.79 3.96 0.00 1.70 1.56 0.85 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.33 4.00 0.00 1.84 1.98 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.25 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.44 7.81 50 D 7.69 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 51 G 8.91 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 0.00 0.00 0.00 52 T 7.56 3.61 4.28 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 1.26 0.00 0.00 53 V 7.41 3.50 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 -0.07 0.00 0.00 0.04 0.00 0.00 54 L 7.17 3.30 0.00 1.91 1.32 1.16 0.86 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 55 C 7.94 4.01 0.00 3.01 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 56 E 8.27 3.83 0.00 1.92 1.83 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 2.21 2.26 0.00 57 L 7.29 3.66 0.00 1.21 1.25 -0.14 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.25 3.71 2.10 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.34 1.06 0.00 0.00 59 N 8.29 4.54 0.00 2.78 2.84 0.00 0.00 6.92 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 60 A 7.72 4.11 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 61 L 7.73 3.96 0.00 1.70 1.49 0.79 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.38 4.15 0.00 3.07 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 63 P 0.00 4.61 0.00 2.28 2.27 0.00 4.04 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.05 0.00 64 E 8.56 4.04 0.00 2.11 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 2.31 2.35 0.00 65 G 9.07 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.02 3.97 0.00 2.40 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 67 A 7.58 3.96 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 68 P 0.00 4.13 0.00 2.16 2.05 0.00 3.77 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 69 V 7.14 4.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.95 0.00 0.00 70 K 8.46 4.08 0.00 1.77 1.83 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.43 7.81 71 K 7.83 4.13 0.00 1.70 1.73 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.50 7.81 72 I 8.15 4.39 1.83 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 1.25 0.75 0.90 0.00 0.00 73 Q 8.29 4.37 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.37 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 74 A 8.47 4.15 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 75 S 8.15 4.51 0.00 3.88 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 0.00 76 T 8.64 3.92 4.28 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 1.26 0.00 0.00 77 M 7.78 3.89 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.74 0.00 78 A 8.85 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.21 4.17 0.00 3.06 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.91 3.44 0.00 1.90 1.72 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.50 7.81 81 Q 7.94 4.11 0.00 2.34 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.73 0.00 0.00 0.00 0.00 0.00 2.68 2.77 0.00 82 M 7.28 3.56 0.00 1.63 1.53 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.19 0.00 83 E 7.46 3.73 0.00 1.65 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 0.00 2.08 2.21 0.00 84 Q 7.96 3.95 0.00 2.06 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 85 I 7.79 3.98 2.08 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.24 1.17 0.00 0.00 86 S 8.01 4.00 0.00 3.81 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 87 Q 7.87 4.05 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 88 F 8.18 4.30 0.00 3.07 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 89 L 7.66 3.13 0.00 1.56 1.35 0.60 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 8.23 3.83 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.67 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 91 A 7.34 4.04 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 92 A 7.72 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 7.92 4.26 0.00 1.98 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 2.29 2.32 0.00 94 R 7.30 4.03 0.00 1.82 2.02 0.00 3.19 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 95 Y 8.57 4.51 0.00 3.31 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.61 4.69 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 97 I 7.37 3.85 2.12 0.00 0.00 1.00 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 1.47 0.97 0.00 0.00 98 N 8.40 4.93 0.00 2.72 2.83 0.00 0.00 6.65 7.22 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 99 T 8.45 3.82 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 1.17 0.00 0.00 100 T 8.19 3.77 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 1.27 0.00 0.00 101 D 8.09 4.85 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 0.00 102 I 7.25 3.99 1.79 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 0.83 1.53 0.56 0.00 0.00 103 F 8.42 4.74 0.00 3.25 3.22 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 0.00 104 Q 8.39 4.63 0.00 2.46 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 105 T 8.72 4.05 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 106 V 7.89 3.94 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 1.11 0.00 0.00 1.14 0.00 0.00 107 D 7.85 4.57 0.00 3.16 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 0.00 108 L 8.03 4.28 0.00 1.63 1.91 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.06 4.44 0.00 3.47 3.40 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 0.00 110 E 8.84 4.07 0.00 2.27 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.63 0.00 111 G 7.97 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 0.00 112 K 8.43 4.15 0.00 1.84 1.94 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.22 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.52 7.81 113 N 7.99 5.14 0.00 3.00 2.81 0.00 0.00 6.74 7.00 0.00 0.00 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 M 7.97 3.99 0.00 2.12 2.11 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 2.82 2.69 0.00 115 A 8.01 4.23 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 0.00 116 C 8.48 4.27 0.00 3.10 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 0.00 117 V 7.74 3.51 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 0.00 0.00 0.82 0.00 0.00 0.11 0.00 0.00 118 Q 7.68 4.01 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.42 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 119 R 8.27 4.35 0.00 1.90 2.14 0.00 3.22 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 120 T 8.20 4.08 4.85 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 1.54 0.00 0.00 121 L 8.19 4.26 0.00 1.99 2.11 1.22 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 122 M 8.42 4.28 0.00 2.17 2.42 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 2.76 2.74 0.00 123 N 8.24 4.39 0.00 3.06 2.95 0.00 0.00 6.73 7.44 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 0.00 124 L 8.61 4.15 0.00 1.96 2.08 0.95 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 125 G 7.31 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 7.18 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 0.00 127 L 8.01 4.13 0.00 2.07 1.88 1.14 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.71 4.22 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 0.00 0.00 0.00 0.00 0.00 129 V 7.35 3.15 1.77 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 0.67 0.00 0.00 -0.25 0.00 0.00 130 A 7.66 4.35 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 7.72 4.36 0.00 1.84 1.90 0.00 3.16 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.81 0.00 132 D 8.25 4.93 0.00 2.61 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 0.00 133 D 8.26 4.36 0.00 2.64 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 0.00 134 G 8.23 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 0.00 135 L 8.12 4.46 0.00 1.69 1.84 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 136 F 8.00 4.14 0.00 3.09 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 0.00 137 S 7.66 4.35 0.00 3.81 3.64 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 0.00 138 G 8.45 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 D 6.84 4.05 0.00 1.58 1.69 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 0.00 140 P 0.00 4.47 0.00 2.16 2.33 0.00 3.57 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 141 N 8.12 4.12 0.00 2.58 2.85 0.00 0.00 6.69 7.54 0.00 0.00 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 W 6.83 4.64 0.00 3.02 2.14 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 0.00 143 F 7.04 4.92 0.00 2.72 2.85 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 0.00 144 P 0.00 4.38 0.00 2.18 2.07 0.00 3.90 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 2.02 1.98 0.00 145 K 8.54 4.20 0.00 1.81 1.89 0.00 1.46 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.45 7.81 146 K 7.80 3.87 0.00 1.70 1.77 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.54 7.81 147 S 8.38 4.70 0.00 3.86 3.72 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 0.00 148 K 8.34 4.50 0.00 1.69 1.68 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.43 7.81 149 E 8.39 4.65 0.00 1.92 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 2.18 2.33 0.00 150 S 8.42 4.67 0.00 3.83 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 0.00 151 G 8.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.44 0.00 2.18 2.06 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 153 S 8.48 4.17 0.00 3.99 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 0.00 154 S 8.54 3.91 0.00 3.87 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 G 9.04 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 0.00 0.00 0.00