NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 S 4.4289 8.1814 115.2924 57.8708 63.8410 174.5395 18 G 3.4271 8.5392 112.8036 46.8282 0.0000 174.5118 19 L 3.9374 8.6059 123.5208 58.1201 42.8195 177.2545 20 E 4.0039 8.1102 118.0279 59.1064 29.4155 178.7926 21 D 4.2145 7.9557 117.8865 57.2912 41.2883 178.4413 22 K 3.9499 8.1500 119.1495 59.4255 32.0399 179.5835 23 V 3.5147 7.7405 118.8154 65.9633 31.3726 178.2970 24 S 3.7237 7.8478 113.6569 60.9355 62.8538 176.7168 25 K 4.2133 7.9760 123.6966 58.7700 31.5181 178.8727 26 Q 3.9619 8.2888 120.1751 59.1877 28.9001 178.5340 27 L 4.0250 7.9081 119.7083 58.0556 41.2709 179.2933 28 E 4.1260 8.5906 118.9641 59.6038 29.1675 179.7025 29 S 4.3052 8.1672 113.2659 60.5042 63.1418 175.6479 30 K 4.4885 7.4644 119.7447 55.4063 32.0574 176.9222 31 G 3.8868 7.7302 106.7379 46.1325 0.0000 173.8648 32 I 3.9949 7.6944 121.1080 60.0631 37.3160 175.7138 33 K 4.1505 8.6848 127.9542 55.6024 32.2422 175.7591 34 F 5.1144 7.8184 120.6373 54.9469 40.8657 173.8445 35 E 4.5941 8.9462 121.6217 55.0253 30.9601 174.8065 36 Y 4.8245 8.6917 124.1685 57.0135 40.5217 175.2295 37 E 3.6005 8.3474 128.2041 57.4299 27.1593 174.9468 38 E 4.1545 8.0506 117.4203 55.9907 31.0528 175.3080 39 W 5.0834 7.9186 117.2946 54.7318 32.3388 174.3772 40 K 4.5472 8.9328 121.9193 54.6880 33.2076 175.7822 41 V 4.2889 8.3380 123.6675 60.7037 32.6498 173.4666 42 P 4.7784 0.0000 0.0000 62.3269 32.3106 174.6253 43 Y 4.8783 7.8925 117.6616 56.0819 40.6881 173.8966 44 V 4.1713 8.2234 119.4935 60.9207 33.9547 174.7011 45 I 4.2335 8.0945 127.9256 59.4612 37.6655 174.1576 46 P 4.3571 0.0000 0.0000 62.0615 31.8714 176.2328 47 A 4.1845 8.4034 123.7305 52.3861 18.9427 177.2803 48 S 4.7690 8.3506 114.4765 56.3852 65.9899 173.0594 49 N 4.8513 8.4477 119.2219 52.0589 39.9630 174.0118 50 H 5.0469 8.4367 119.2031 54.5802 33.0222 172.2364 51 T 4.7307 8.2837 108.3656 60.5941 71.4050 172.2901 52 Y 4.7399 8.5341 124.4758 56.0912 40.9735 175.2020 53 T 4.0596 7.8462 123.4189 60.6613 69.0534 172.2678 54 P 4.6907 0.0000 0.0000 61.8089 32.1744 177.0334 55 D 4.2750 8.9734 121.3968 56.8483 41.2219 176.8559 56 F 4.9225 8.5076 116.2312 55.3508 42.5701 173.8893 57 L 4.7740 8.3368 123.4145 53.1871 44.1655 176.4289 58 L 4.4230 8.5633 126.7001 53.2938 42.6450 176.3862 59 P 4.2603 0.0000 0.0000 65.8393 31.4146 177.5475 60 N 4.5071 8.0971 112.9489 53.2274 37.2524 176.1924 61 G 3.9136 8.2010 107.0980 45.4011 0.0000 173.3682 62 I 4.2016 7.5969 120.9691 60.3030 38.6861 174.9778 63 F 5.0855 9.2370 126.1155 56.3986 41.2367 175.0491 64 V 4.9540 9.1548 122.5201 61.2625 34.6782 173.6090 65 E 5.1951 9.7440 129.9507 55.1302 31.4195 174.4531 66 T 5.0003 9.7265 118.1992 60.2075 70.7719 174.0333 67 K 4.3154 8.9656 125.9044 56.3473 35.8233 174.2640 68 G 3.9394 9.2002 114.2808 45.8388 0.0000 174.9713 69 L 4.4242 9.0514 118.5612 54.7770 43.5600 175.8556 70 W 5.1017 9.0424 134.6419 54.5663 31.1772 175.0542 71 E 4.1888 8.2778 124.0897 55.2521 31.2539 176.9913 72 S 3.7797 8.4409 114.3046 61.9405 62.2940 176.1595 73 D 4.2762 7.8413 120.9095 57.2009 40.6505 178.0626 74 D 4.3163 7.8156 118.2141 57.1384 41.2870 178.3681 75 R 3.2442 7.4483 118.7143 59.0081 30.0152 179.0376 76 K 3.8796 7.7841 118.1721 59.3153 31.9885 179.2392 77 K 3.8415 7.9211 119.7440 59.8882 32.1661 178.5311 78 H 3.9148 8.2327 116.3879 58.9005 28.6547 177.8333 79 L 4.0670 8.0607 120.7762 57.7389 41.3334 179.5603 80 L 4.2029 7.8960 118.8823 57.7712 41.4255 179.6495 81 I 3.7275 7.7792 119.8657 64.3671 36.7972 178.6771 82 R 3.9180 7.8271 117.8731 59.1656 29.9504 178.7230 83 E 4.0973 7.9675 117.2273 59.7408 29.6568 179.2924 84 Q 4.1360 8.2125 116.3673 57.6104 30.2820 176.1181 85 H 5.5691 8.5771 116.0697 52.9255 29.0690 172.6512 86 P 4.5200 0.0000 0.0000 64.2513 31.9075 177.5138 87 E 4.2444 8.0370 117.0066 57.2275 30.4317 175.9597 88 L 4.6195 7.7122 119.8727 53.6211 43.1765 175.6972 89 D 4.7955 8.5980 121.4906 52.9677 42.6760 174.5708 90 I 5.0063 8.3005 126.8133 59.6056 39.4285 175.4554 91 R 4.8534 9.1615 125.7105 54.2863 34.4111 174.5908 92 I 4.7737 8.5403 120.8813 59.5302 40.6250 174.8697 93 V 4.7248 8.8135 127.4240 61.4573 32.9989 174.7684 94 F 5.1907 9.1011 127.4779 56.5690 40.6045 177.5411 95 S 4.2226 8.9670 117.8522 61.6250 63.6589 175.5569 96 S 4.6955 8.0361 114.2943 57.4040 64.8967 173.9672 97 S 4.0558 9.8868 122.2137 58.5756 63.1551 175.7276 98 R 4.0239 7.6202 120.3863 57.7040 30.6818 177.1813 99 T 3.5904 6.8722 113.8046 63.8331 68.8643 173.6888 100 K 4.4160 7.9196 124.0311 55.4537 33.2702 177.0333 101 L 4.2529 8.2034 122.9325 57.8385 41.7308 177.2527 102 Y 4.7452 6.9217 115.9021 55.7877 40.5047 174.3065 103 K 4.0189 8.7281 122.1813 56.6832 31.8762 176.1562 104 G 4.2061 9.0039 112.4526 44.5820 0.0000 173.9454 105 S 3.9838 7.6482 113.6069 57.7799 62.5929 172.0710 106 P 4.5231 0.0000 0.0000 63.7442 32.3674 176.0347 107 T 4.3785 7.4032 117.6213 62.9650 69.3594 174.3258 108 S 4.9530 8.9195 121.3392 56.8637 66.3205 175.0422 109 Y 4.5568 8.2101 120.8914 61.6153 37.5676 179.5276 110 G 2.7974 7.9457 106.4695 47.6528 0.0000 175.4083 111 E 4.1578 7.9667 120.0899 58.6669 29.4969 179.1480 112 F 4.1541 8.2623 121.1235 61.4274 39.5019 176.8695 113 C 4.2978 8.5329 116.5390 63.1372 27.8849 176.0514 114 E 4.1059 8.3190 120.0369 59.3978 28.8371 179.3735 115 K 3.9269 8.0277 118.6321 58.9212 32.2206 177.5861 116 H 4.7577 7.6383 113.6979 54.7316 28.9773 175.3606 117 G 3.9254 7.5761 107.9350 46.0884 0.0000 173.6994 118 I 4.2255 7.8776 120.9432 60.3586 37.9659 176.0812 119 K 4.5812 8.7387 127.1579 56.3335 33.3339 176.0381 120 F 6.2595 8.8856 117.7353 55.5216 41.8668 172.3201 121 A 4.5530 8.7564 119.1355 51.3670 22.7239 174.3315 122 D 5.2923 8.2989 117.9000 54.0322 43.2127 176.8785 123 K 4.2144 9.8767 128.5939 57.2611 31.4748 176.0636 124 L 4.7768 7.1961 114.2472 52.3375 45.5652 176.2301 125 I 3.5104 7.9703 121.7474 60.2949 37.7235 174.7002 126 P 3.8897 0.0000 0.0000 62.4244 31.9182 177.1575 127 A 4.0291 8.7104 127.0350 56.0256 18.0651 180.3546 128 E 4.0700 7.9989 115.2133 60.6268 29.9580 181.4860 129 W 5.0770 8.0040 119.3913 59.9240 29.0214 178.3947 130 I 3.7466 7.9963 117.8162 64.6100 36.6493 177.7738 131 K 4.2178 7.8069 115.7660 56.5870 32.5797 177.4260 132 E 4.1349 8.0008 121.1901 55.1483 30.0517 174.7638 133 P 4.3426 0.0000 0.0000 62.7294 31.7274 175.9632 134 K 4.2787 8.5437 122.1743 56.8137 32.8517 175.8216 135 K 4.6902 8.5505 125.3013 54.7993 35.1875 175.8338 136 E 4.1363 8.8895 123.8397 56.3728 30.1454 176.4873 137 V 3.9015 8.1672 124.3231 61.0974 33.1903 175.0642 138 P 4.6002 0.0000 0.0000 61.0358 29.9488 176.5619 139 F 4.4846 7.8704 122.5817 61.3651 39.6031 177.9149 140 D 4.4902 8.2337 119.1011 57.1224 40.7174 177.6603 141 R 4.1208 8.4714 117.1906 57.4746 30.3512 176.2334 142 L 4.6181 7.7646 119.8191 53.3831 43.9189 176.3078 143 K 4.6080 8.1466 120.2311 52.4060 34.6945 175.2056 144 R 4.1280 8.6274 124.7937 54.7295 30.7857 176.3104 145 K 4.0500 8.6972 121.5884 57.4890 32.2518 176.5109 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 17 S 8.18 4.43 0.00 3.89 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 18 G 8.54 3.43 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 0.00 19 L 8.61 3.94 0.00 1.76 1.67 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.11 4.00 0.00 2.05 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 2.47 2.40 0.00 21 D 7.96 4.21 0.00 2.76 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 22 K 8.15 3.95 0.00 1.87 1.81 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.51 7.81 23 V 7.74 3.51 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.93 0.00 0.00 24 S 7.85 3.72 0.00 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 0.00 25 K 7.98 4.21 0.00 2.03 1.88 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.45 1.37 7.81 26 Q 8.29 3.96 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 27 L 7.91 4.02 0.00 1.70 1.81 0.40 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.59 4.13 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.71 0.00 29 S 8.17 4.31 0.00 4.04 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 30 K 7.46 4.49 0.00 1.76 1.88 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.55 1.59 7.81 31 G 7.73 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 32 I 7.69 3.99 2.03 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 1.37 0.90 1.02 0.00 0.00 33 K 8.68 4.15 0.00 1.71 1.75 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.34 7.81 34 F 7.82 5.11 0.00 3.17 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 35 E 8.95 4.59 0.00 2.21 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 2.32 2.42 0.00 36 Y 8.69 4.82 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 37 E 8.35 3.60 0.00 1.69 1.67 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 1.50 1.47 0.00 38 E 8.05 4.15 0.00 1.82 1.79 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 2.18 1.47 0.00 39 W 7.92 5.08 0.00 3.27 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 40 K 8.93 4.55 0.00 1.82 1.80 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.41 7.81 41 V 8.34 4.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.96 0.00 0.00 42 P 0.00 4.78 0.00 2.12 1.98 0.00 3.81 0.00 0.00 3.92 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 43 Y 7.89 4.88 0.00 3.05 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 44 V 8.22 4.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.91 0.00 0.00 45 I 8.09 4.23 1.84 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.58 0.93 0.00 0.00 46 P 0.00 4.36 0.00 2.05 2.00 0.00 3.72 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 2.05 2.12 0.00 47 A 8.40 4.18 1.24 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 0.00 0.00 0.00 48 S 8.35 4.77 0.00 3.89 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 49 N 8.45 4.85 0.00 2.66 2.74 0.00 0.00 6.73 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.44 5.05 0.00 3.08 3.23 0.00 5.86 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.28 4.73 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 1.23 0.00 0.00 52 Y 8.53 4.74 0.00 2.79 2.82 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 53 T 7.85 4.06 4.10 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 1.10 0.00 0.00 54 P 0.00 4.69 0.00 2.20 2.02 0.00 3.41 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.30 0.00 55 D 8.97 4.27 0.00 2.93 2.26 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 56 F 8.51 4.92 0.00 3.11 2.93 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 57 L 8.34 4.77 0.00 1.15 1.41 -0.16 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.56 4.42 0.00 1.86 1.57 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.26 0.00 2.04 2.12 0.00 3.68 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 2.03 2.08 0.00 60 N 8.10 4.51 0.00 2.98 3.06 0.00 0.00 6.37 6.92 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 61 G 8.20 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 0.00 0.00 0.00 62 I 7.60 4.20 1.92 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.72 0.77 0.00 0.00 63 F 9.24 5.09 0.00 3.19 2.97 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 64 V 9.15 4.95 2.28 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 1.11 0.00 0.00 1.12 0.00 0.00 65 E 9.74 5.20 0.00 2.33 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 2.36 2.26 0.00 66 T 9.73 5.00 4.32 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 1.41 0.00 0.00 67 K 8.97 4.32 0.00 1.23 1.35 0.00 1.41 0.00 0.00 1.41 0.00 0.00 3.38 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.77 1.62 7.81 68 G 9.20 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 0.00 0.00 0.00 69 L 9.05 4.42 0.00 1.73 1.71 1.08 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 70 W 9.04 5.10 0.00 2.85 1.92 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 71 E 8.28 4.19 0.00 1.96 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 0.00 2.45 2.33 0.00 72 S 8.44 3.78 0.00 3.79 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 73 D 7.84 4.28 0.00 2.67 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 74 D 7.82 4.32 0.00 2.75 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 75 R 7.45 3.24 0.00 1.30 1.00 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 76 K 7.78 3.88 0.00 1.86 1.81 0.00 1.68 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.42 7.81 77 K 7.92 3.84 0.00 1.81 1.92 0.00 1.56 0.00 0.00 1.60 0.00 0.00 3.13 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.15 1.35 7.81 78 H 8.23 3.91 0.00 3.68 3.58 0.00 5.87 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 79 L 8.06 4.07 0.00 1.84 1.70 0.81 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.90 4.20 0.00 1.84 1.70 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.78 3.73 1.91 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.60 0.86 0.00 0.00 82 R 7.83 3.92 0.00 1.95 2.00 0.00 3.26 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 83 E 7.97 4.10 0.00 2.12 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 2.34 2.45 0.00 84 Q 8.21 4.14 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.32 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 85 H 8.58 5.57 0.00 3.24 3.15 0.00 5.63 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.52 0.00 2.17 2.16 0.00 3.80 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 1.98 1.94 0.00 87 E 8.04 4.24 0.00 2.13 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 0.00 2.33 2.27 0.00 88 L 7.71 4.62 0.00 1.61 1.56 0.65 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.60 4.80 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 90 I 8.30 5.01 1.91 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 1.28 0.76 1.06 0.00 0.00 91 R 9.16 4.85 0.00 1.31 1.34 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.34 0.00 92 I 8.54 4.77 1.43 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.77 -0.61 0.00 0.00 93 V 8.81 4.72 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 1.02 0.00 0.00 0.95 0.00 0.00 94 F 9.10 5.19 0.00 3.15 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 95 S 8.97 4.22 0.00 3.91 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 96 S 8.04 4.70 0.00 3.82 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 97 S 9.89 4.06 0.00 3.70 4.16 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 98 R 7.62 4.02 0.00 1.77 1.94 0.00 3.36 0.00 0.00 3.20 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 99 T 6.87 3.59 2.97 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 0.88 0.00 0.00 100 K 7.92 4.42 0.00 1.57 1.51 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.29 1.36 7.81 101 L 8.20 4.25 0.00 1.06 1.63 0.86 0.68 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 0.00 102 Y 6.92 4.75 0.00 3.09 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 0.00 103 K 8.73 4.02 0.00 1.79 1.68 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.03 7.81 104 G 9.00 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 0.00 0.00 0.00 105 S 7.65 3.98 0.00 2.72 3.23 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 0.00 106 P 0.00 4.52 0.00 2.17 2.11 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 107 T 7.40 4.38 4.16 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 1.27 0.00 0.00 108 S 8.92 4.95 0.00 4.06 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Y 8.21 4.56 0.00 2.31 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 0.00 0.00 0.00 110 G 7.95 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 0.00 0.00 0.00 111 E 7.97 4.16 0.00 2.16 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 2.35 2.31 0.00 112 F 8.26 4.15 0.00 3.23 3.42 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 0.00 113 C 8.53 4.30 0.00 3.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.32 4.11 0.00 2.11 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 0.00 2.63 2.89 0.00 115 K 8.03 3.93 0.00 1.75 1.67 0.00 1.68 0.00 0.00 1.39 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.16 1.36 7.81 116 H 7.64 4.76 0.00 2.92 3.19 0.00 6.00 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.58 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 0.00 118 I 7.88 4.23 2.08 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 1.36 0.71 1.04 0.00 0.00 119 K 8.74 4.58 0.00 1.48 1.68 0.00 1.33 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.39 7.81 120 F 8.89 6.26 0.00 3.45 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 0.00 121 A 8.76 4.55 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.30 5.29 0.00 2.58 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 9.88 4.21 0.00 1.86 1.94 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.43 7.81 124 L 7.20 4.78 0.00 1.46 1.38 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.97 3.51 1.73 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.31 0.93 0.00 0.00 126 P 0.00 3.89 0.00 0.94 1.39 0.00 2.20 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.23 0.00 127 A 8.71 4.03 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 0.00 128 E 8.00 4.07 0.00 2.08 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 2.23 1.97 0.00 129 W 8.00 5.08 0.00 3.50 3.15 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 0.00 0.00 0.00 130 I 8.00 3.75 2.07 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.52 0.92 0.00 0.00 131 K 7.81 4.22 0.00 1.78 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.62 7.81 132 E 8.00 4.13 0.00 2.15 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 133 P 0.00 4.34 0.00 2.17 2.07 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 134 K 8.54 4.28 0.00 1.79 1.76 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.19 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.45 7.81 135 K 8.55 4.69 0.00 1.71 1.70 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.38 7.81 136 E 8.89 4.14 0.00 1.88 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 2.33 2.27 0.00 137 V 8.17 3.90 1.24 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 0.15 0.00 0.00 0.72 0.00 0.00 138 P 0.00 4.60 0.00 2.25 2.17 0.00 3.67 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 2.01 1.95 0.00 139 F 7.87 4.48 0.00 3.24 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 0.00 140 D 8.23 4.49 0.00 2.71 2.78 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 0.00 141 R 8.47 4.12 0.00 1.75 2.02 0.00 3.32 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.76 0.00 142 L 7.76 4.62 0.00 1.77 1.64 0.99 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.15 4.61 0.00 1.71 1.53 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 0.95 7.81 144 R 8.63 4.13 0.00 1.77 1.86 0.00 3.20 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 145 K 8.70 4.05 0.00 1.88 1.79 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.44 7.81