NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3932 8.3044 118.1896 55.3194 32.5614 174.0298 2 H 4.5780 8.6037 120.2269 53.9781 31.4627 172.4810 3 L 4.9009 7.6352 125.8236 52.3133 46.0128 176.4430 4 T 4.1057 8.9662 111.8790 61.0203 70.5670 173.7140 5 P 4.1808 0.0000 0.0000 66.0647 31.3710 178.7895 6 E 3.9442 8.1365 116.6423 59.3246 29.3766 179.2631 7 E 3.8766 7.9134 118.0973 59.2392 29.6090 179.0463 8 K 3.7539 8.0404 119.7329 59.6553 32.1833 178.5030 9 S 4.0507 8.3323 113.2659 61.4056 62.1029 175.9171 10 A 4.0067 8.1158 123.4027 55.1823 18.1045 179.8945 11 V 3.4968 7.7955 116.8647 66.3238 31.6575 178.4840 12 T 4.0232 8.0974 109.4622 64.6345 68.4728 176.4076 13 A 4.0254 8.0019 122.8814 54.9943 18.7136 179.1037 14 L 3.9154 7.8683 118.8485 57.9214 42.1958 178.9398 15 W 4.3884 8.6779 128.4098 60.0250 30.4258 178.0956 16 G 3.7906 8.0527 104.5203 46.8428 0.0000 174.7201 17 K 4.5523 7.6233 118.4042 55.3842 32.8347 176.5806 18 V 3.5064 6.9253 120.4486 62.0380 31.5779 175.7747 19 N 4.4276 8.3837 126.4341 52.7735 38.9252 174.9984 20 V 3.5010 8.1833 128.7134 65.9677 31.6060 177.3611 21 D 4.3014 8.0944 118.0948 57.3159 40.9054 178.1587 22 E 3.8445 7.9626 119.1651 59.4075 29.6970 178.8861 23 V 3.6380 7.8415 118.3854 65.4900 31.5283 178.2948 24 G 3.6648 8.3295 106.0133 47.7131 0.0000 175.8069 25 G 3.6505 8.1044 108.7958 47.4055 0.0000 175.3069 26 E 3.8803 8.0208 121.1340 58.8224 29.6920 178.7677 27 A 3.9244 8.2687 121.2040 55.1097 18.4783 179.4212 28 L 4.0068 7.9343 119.0045 58.0861 42.1467 179.3088 29 G 3.5895 8.1384 105.7099 48.0479 0.0000 175.9361 30 R 3.9042 8.1298 120.8203 58.5079 30.0011 178.8133 31 L 4.0012 7.9683 120.3272 58.3630 42.2015 179.1969 32 L 4.0102 7.9304 118.8052 57.4761 41.2563 179.7585 33 V 3.5012 7.4678 117.6604 65.9635 31.6432 178.0212 34 V 3.5418 7.9304 116.8533 64.1781 32.8462 175.5766 35 Y 3.9183 7.2565 115.8411 54.5341 37.9055 174.2244 36 P 4.9240 0.0000 0.0000 63.7294 31.8681 177.5010 37 W 4.4305 7.8670 115.5745 58.7820 27.7285 177.6047 38 T 4.2760 7.7495 110.7223 63.8934 68.4040 176.1649 39 Q 4.3232 8.1684 121.4993 57.9820 28.4701 178.0401 40 R 3.8031 7.4997 116.5350 58.2901 29.3029 177.6628 41 F 4.4477 7.0168 116.1102 57.1907 39.4561 175.6434 42 F 4.7292 7.9344 118.0077 56.8222 40.1883 176.8314 43 E 4.0767 8.6191 123.0911 59.6273 29.3003 178.3418 44 S 4.6198 8.1370 110.1941 58.8019 63.3144 174.6144 45 F 4.5229 8.6003 120.6569 58.1453 39.9193 175.8982 46 G 3.9433 8.2420 105.0357 43.7642 0.0000 173.8391 47 D 4.4265 8.7094 124.6788 54.8087 40.9916 175.9616 48 L 4.9023 8.3104 126.3928 54.4347 43.0699 178.2113 49 S 4.3316 8.1254 116.3003 60.6612 63.4308 174.8460 50 T 4.7274 7.4076 109.7152 58.2170 72.9891 172.5809 51 P 4.1838 0.0000 0.0000 66.2165 31.3732 178.7491 52 D 4.3041 8.0331 116.7400 57.1635 40.5914 178.4896 53 A 3.9732 7.5449 120.6220 54.9997 18.6685 179.5644 54 V 3.6843 7.9672 116.8376 66.6408 31.4746 178.3396 55 M 4.2362 8.1568 116.9904 57.5424 31.8245 177.9732 56 G 4.0984 7.6478 103.3910 43.4259 0.0000 173.0824 57 N 4.5093 7.7648 121.6559 52.2355 39.0963 173.8390 58 P 4.2144 0.0000 0.0000 65.9452 31.2446 178.5247 59 K 3.7427 8.0988 118.3021 58.7702 31.7063 179.5216 60 V 3.6946 7.8518 118.2512 65.9134 31.5957 177.8902 61 K 3.8609 8.1760 118.0932 59.6499 31.9460 179.2082 62 A 4.0135 8.0575 120.8354 55.3298 18.2463 179.2165 63 H 4.3692 8.4467 117.0968 59.2702 29.9302 177.7294 64 G 3.6351 8.4333 107.9421 47.6702 0.0000 175.4905 65 K 3.9717 8.1857 122.1071 59.0511 32.1703 178.8371 66 K 3.9792 8.0505 119.8916 59.4302 32.1875 178.9698 67 V 3.5949 8.1365 118.8895 66.1546 31.5741 177.8188 68 L 4.3584 8.5661 120.2441 57.5582 41.9572 178.9447 69 G 3.7974 8.3865 106.0390 47.8937 0.0000 175.5809 70 A 4.1432 8.0021 122.2645 54.6900 18.7122 179.0747 71 F 4.3183 8.5488 119.3358 61.5974 39.3454 177.1021 72 S 4.0593 8.9822 113.0880 61.8422 61.8715 176.0362 73 D 4.5192 8.2163 121.2328 57.1555 40.3772 179.0612 74 G 3.4868 7.9916 106.5788 47.5538 0.0000 175.7530 75 L 3.7364 7.1279 119.5922 56.6252 41.5937 178.3817 76 A 4.2780 7.2331 118.4584 52.5836 19.4220 176.6852 77 H 4.8858 8.1884 115.6316 54.6616 29.9488 175.5798 78 L 3.9401 8.0506 120.3829 57.8159 41.7855 178.8298 79 D 4.4794 7.9092 116.5545 56.2539 41.8408 176.2482 80 N 5.0006 8.1606 117.9652 51.2398 39.9568 174.7568 81 L 4.0826 7.9081 122.7262 57.8946 41.7886 179.5501 82 K 4.0755 8.0496 117.9928 59.5471 31.8845 179.4925 83 G 3.6349 7.9950 104.4675 48.1217 0.0000 175.5951 84 T 3.8178 7.8075 117.1667 65.3566 68.6600 175.8022 85 F 4.7227 7.8164 116.7616 56.9578 39.4114 177.2310 86 A 4.0528 7.6062 121.9303 55.6653 18.1234 180.3470 87 T 3.8199 7.8277 113.5532 66.8990 68.6501 176.8925 88 L 4.0833 7.9750 120.3542 57.5750 41.6457 179.3482 89 S 4.2678 8.6900 113.6583 61.5055 62.2933 176.0239 90 E 3.8423 8.3382 121.3055 59.2641 29.2049 179.0043 91 L 3.8919 8.0906 120.3654 58.7553 42.1277 178.9057 92 H 4.2515 8.4194 115.7066 58.3165 28.3990 177.8217 93 A 3.2387 7.4416 122.0374 54.9492 18.3584 178.8883 94 D 4.4560 7.9188 115.5619 55.6977 41.3062 177.8062 95 K 4.2582 7.6529 117.1217 57.9249 33.3155 177.7794 96 L 4.0737 7.7259 116.1317 55.3705 42.5089 176.2914 97 H 4.1784 7.7515 114.4812 56.6432 25.9512 175.0328 98 V 3.8692 7.9009 117.6912 60.7732 32.7477 174.7122 99 D 4.2877 8.7751 126.9647 53.9802 41.4242 175.1679 100 P 3.2580 0.0000 0.0000 64.6793 31.8028 178.0114 101 E 3.8455 8.1257 118.9139 59.2030 29.2099 178.4552 102 N 4.3108 8.0789 116.7491 56.1229 38.4767 177.2760 103 F 4.4507 7.5795 119.4645 60.5039 38.8923 177.9232 104 R 4.0370 7.8214 117.4376 59.0094 30.0463 178.7179 105 L 3.8117 7.9151 118.8559 57.7170 41.5091 179.3320 106 L 4.1169 8.3510 120.6569 58.0133 42.0972 179.1611 107 G 3.6812 8.1712 105.7787 47.8291 0.0000 175.8562 108 K 4.0913 8.0181 120.8949 59.1949 32.0524 179.7268 109 V 3.6525 7.9597 118.6461 65.7416 31.4218 177.7385 110 L 3.8703 8.1820 120.4271 58.2039 41.9001 179.1407 111 V 3.5774 7.7364 117.7559 66.2819 31.4876 177.7365 112 C 4.1152 7.9719 115.9907 62.8319 27.8504 176.3611 113 V 3.5614 7.8320 119.9130 65.7709 31.0099 178.0954 114 L 3.8394 7.8461 118.6535 57.5801 41.2593 179.3433 115 A 3.7391 7.2449 120.6309 55.2496 18.0841 179.1702 116 H 4.0585 7.9259 115.6496 59.6718 30.0185 176.7392 117 H 3.9463 8.1875 119.2183 58.6448 29.4709 176.4671 118 F 4.6426 8.4897 118.5102 55.9714 39.7566 177.2984 119 G 3.9579 9.0202 108.0438 46.0673 0.0000 177.7065 120 K 3.9789 8.9547 123.3315 59.3071 32.3387 177.7432 121 E 4.0527 7.8499 118.9141 58.4708 30.0458 177.0665 122 F 4.5557 8.1190 123.5440 57.0308 37.8234 175.1342 123 T 4.1812 7.3333 115.6723 60.3243 71.3640 173.4348 124 P 4.1549 0.0000 0.0000 65.6273 31.3626 177.2440 125 P 4.2577 0.0000 0.0000 65.3518 31.2790 178.8972 126 V 3.5869 7.4696 117.4772 65.7853 31.3779 177.8987 127 Q 3.5622 7.9138 119.5092 58.8413 28.9345 177.9773 128 A 3.9955 8.0070 121.6083 55.1122 18.5400 179.4216 129 A 3.8996 7.8176 118.6492 55.7199 18.4134 179.5923 130 Y 3.8941 8.2219 115.1067 61.1751 38.0201 178.7527 131 Q 4.1316 8.7100 119.6294 58.7515 28.7527 178.8422 132 K 4.0469 7.9130 119.3973 59.2317 31.9682 179.6366 133 V 3.5205 7.5897 118.2600 66.1115 31.3990 178.6393 134 V 3.8183 8.3504 112.3035 64.1862 31.2677 178.4983 135 A 4.1010 8.0879 120.5162 55.1053 18.1803 179.9506 136 G 3.4811 8.2322 104.3457 47.7948 0.0000 176.2120 137 V 3.3165 8.0765 120.6475 65.6097 31.5974 177.9535 138 A 3.8632 8.1978 120.7906 55.2874 17.9737 179.3864 139 N 4.3067 8.2295 114.0113 56.3263 38.4497 177.1772 140 A 4.1365 8.1346 122.3538 55.2133 18.2826 179.7000 141 L 3.8544 7.7207 116.0588 56.9549 41.7212 178.5750 142 A 4.4752 7.7039 118.9873 53.1491 18.7518 178.5471 143 H 4.2516 7.9231 116.2828 58.4670 30.0120 175.8005 144 K 4.2436 7.9788 117.6033 56.2480 32.2613 176.0415 145 Y 4.1372 7.8028 118.6882 58.0267 38.2870 175.4870 146 H 4.6239 8.5489 120.9567 56.1931 29.9694 173.1578 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 4.39 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 2 H 8.60 4.58 0.00 3.19 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.64 4.90 0.00 1.51 1.60 0.79 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.97 4.11 4.38 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 0.00 0.00 1.21 0.00 0.00 5 P 0.00 4.18 0.00 2.16 2.13 0.00 3.59 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 2.11 2.18 0.00 6 E 8.14 3.94 0.00 2.03 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 2.39 2.45 0.00 7 E 7.91 3.88 0.00 2.11 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 2.29 2.28 0.00 8 K 8.04 3.75 0.00 1.88 1.75 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.35 7.81 9 S 8.33 4.05 0.00 3.98 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 10 A 8.12 4.01 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 11 V 7.80 3.50 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 0.68 0.00 0.00 0.40 0.00 0.00 12 T 8.10 4.02 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 1.20 0.00 0.00 13 A 8.00 4.03 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 0.00 0.00 0.00 0.00 0.00 14 L 7.87 3.92 0.00 1.92 1.96 0.12 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.68 4.39 0.00 3.84 3.21 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 16 G 8.05 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.62 4.55 0.00 1.95 2.06 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.45 7.81 18 V 6.93 3.51 0.99 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 -0.05 0.00 0.00 0.71 0.00 0.00 19 N 8.38 4.43 0.00 2.79 2.59 0.00 0.00 6.79 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.18 3.50 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 1.20 0.00 0.00 1.01 0.00 0.00 21 D 8.09 4.30 0.00 2.69 2.68 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 22 E 7.96 3.84 0.00 1.95 1.96 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 2.29 2.30 0.00 23 V 7.84 3.64 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 0.92 0.00 0.00 0.64 0.00 0.00 24 G 8.33 3.66 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 0.00 25 G 8.10 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 26 E 8.02 3.88 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 27 A 8.27 3.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.93 4.01 0.00 1.78 1.64 0.88 1.05 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 29 G 8.14 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 30 R 8.13 3.90 0.00 1.82 1.92 0.00 3.08 0.00 0.00 3.01 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 31 L 7.97 4.00 0.00 1.89 1.91 1.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.93 4.01 0.00 1.86 1.69 0.80 0.99 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 33 V 7.47 3.50 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 0.70 0.00 0.00 0.95 0.00 0.00 34 V 7.93 3.54 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.72 0.00 0.00 35 Y 7.26 3.92 0.00 2.61 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.92 0.00 2.22 2.09 0.00 3.82 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 37 W 7.87 4.43 0.00 3.53 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.75 4.28 4.40 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 1.17 0.00 0.00 39 Q 8.17 4.32 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 40 R 7.50 3.80 0.00 1.62 1.95 0.00 3.04 0.00 0.00 2.79 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.50 0.00 41 F 7.02 4.45 0.00 1.86 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.93 4.73 0.00 2.80 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 0.00 0.00 0.00 43 E 8.62 4.08 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 44 S 8.14 4.62 0.00 4.10 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.60 4.52 0.00 3.17 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 46 G 8.24 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 47 D 8.71 4.43 0.00 2.65 2.64 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 48 L 8.31 4.90 0.00 1.66 1.62 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.13 4.33 0.00 4.01 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 50 T 7.41 4.73 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 1.21 0.00 0.00 51 P 0.00 4.18 0.00 2.15 2.12 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 52 D 8.03 4.30 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.54 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.97 3.68 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.98 0.00 0.00 55 M 8.16 4.24 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.89 0.00 56 G 7.65 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 0.00 0.00 0.00 0.00 57 N 7.76 4.51 0.00 2.99 2.82 0.00 0.00 6.91 7.85 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 58 P 0.00 4.21 0.00 2.24 2.26 0.00 3.71 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 2.01 2.02 0.00 59 K 8.10 3.74 0.00 1.53 0.74 0.00 1.54 0.00 0.00 1.38 0.00 0.00 2.68 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.13 1.23 7.81 60 V 7.85 3.69 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 1.13 0.00 0.00 1.06 0.00 0.00 61 K 8.18 3.86 0.00 1.97 1.83 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.59 7.81 62 A 8.06 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.45 4.37 0.00 3.64 3.47 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.43 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 0.00 0.00 0.00 65 K 8.19 3.97 0.00 1.85 2.02 0.00 1.82 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.64 7.81 66 K 8.05 3.98 0.00 2.09 1.91 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.51 7.81 67 V 8.14 3.59 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.91 0.00 0.00 68 L 8.57 4.36 0.00 1.97 1.81 0.74 1.08 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 69 G 8.39 3.80 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 70 A 8.00 4.14 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.55 4.32 0.00 3.20 3.36 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 0.00 0.00 0.00 0.00 72 S 8.98 4.06 0.00 4.58 4.29 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.52 0.00 3.00 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 74 G 7.99 3.49 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 0.00 75 L 7.13 3.74 0.00 1.37 1.42 -0.38 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.23 4.28 1.19 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 77 H 8.19 4.89 0.00 3.05 3.13 0.00 5.83 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 78 L 8.05 3.94 0.00 1.52 1.65 0.74 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.91 4.48 0.00 2.62 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.16 5.00 0.00 2.65 2.60 0.00 0.00 7.03 6.28 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 81 L 7.91 4.08 0.00 1.74 1.79 0.90 0.76 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 82 K 8.05 4.08 0.00 1.74 1.79 0.00 1.50 0.00 0.00 1.12 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.41 7.81 83 G 7.99 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.81 3.82 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 0.53 0.00 0.00 85 F 7.82 4.72 0.00 3.17 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 86 A 7.61 4.05 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 0.00 0.00 0.00 0.00 0.00 87 T 7.83 3.82 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 88 L 7.98 4.08 0.00 2.00 1.87 1.10 0.90 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 89 S 8.69 4.27 0.00 3.99 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.34 3.84 0.00 2.24 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 2.30 2.45 0.00 91 L 8.09 3.89 0.00 1.76 1.90 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.42 4.25 0.00 3.50 3.69 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.44 3.24 0.36 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 0.00 0.00 0.00 0.00 0.00 0.00 94 D 7.92 4.46 0.00 2.70 2.68 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 95 K 7.65 4.26 0.00 1.82 1.79 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.50 7.81 96 L 7.73 4.07 0.00 1.71 1.65 0.73 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.75 4.18 0.00 3.38 3.41 0.00 5.69 0.00 0.00 0.00 0.00 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.90 3.87 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 -0.02 0.00 0.00 0.42 0.00 0.00 99 D 8.78 4.29 0.00 2.78 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 0.00 100 P 0.00 3.26 0.00 1.96 1.86 0.00 3.35 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.44 0.00 101 E 8.13 3.85 0.00 2.04 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 2.31 2.40 0.00 102 N 8.08 4.31 0.00 2.38 2.67 0.00 0.00 6.89 8.53 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 0.00 103 F 7.58 4.45 0.00 3.10 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 0.00 104 R 7.82 4.04 0.00 1.99 1.97 0.00 3.12 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 105 L 7.92 3.81 0.00 1.71 1.39 0.78 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.35 4.12 0.00 1.80 1.89 0.93 1.36 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 0.00 107 G 8.17 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 0.00 0.00 0.00 108 K 8.02 4.09 0.00 2.04 1.95 0.00 1.69 0.00 0.00 1.53 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.58 7.81 109 V 7.96 3.65 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 1.05 0.00 0.00 1.15 0.00 0.00 110 L 8.18 3.87 0.00 1.77 1.79 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.74 3.58 2.32 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 1.28 0.00 0.00 1.16 0.00 0.00 112 C 7.97 4.12 0.00 3.23 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 0.00 113 V 7.83 3.56 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 1.01 0.00 0.00 0.93 0.00 0.00 114 L 7.85 3.84 0.00 0.83 1.19 0.61 0.74 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 0.00 115 A 7.24 3.74 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 0.00 116 H 7.93 4.06 0.00 3.18 3.42 0.00 5.78 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.19 3.95 0.00 2.86 2.83 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.49 4.64 0.00 3.29 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 0.00 119 G 9.02 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 0.00 120 K 8.95 3.98 0.00 1.91 2.01 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.48 7.81 121 E 7.85 4.05 0.00 2.07 2.32 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 2.30 2.26 0.00 122 F 8.12 4.56 0.00 3.02 3.14 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 0.00 123 T 7.33 4.18 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 1.30 0.00 0.00 124 P 0.00 4.15 0.00 2.15 2.15 0.00 3.58 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 2.11 2.20 0.00 125 P 0.00 4.26 0.00 2.12 2.06 0.00 3.48 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 2.08 2.11 0.00 126 V 7.47 3.59 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.90 0.00 0.00 127 Q 7.91 3.56 0.00 1.66 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 128 A 8.01 4.00 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 0.00 129 A 7.82 3.90 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.22 3.89 0.00 3.25 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.71 4.13 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 132 K 7.91 4.05 0.00 1.97 1.82 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.55 7.81 133 V 7.59 3.52 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 0.94 0.00 0.00 0.73 0.00 0.00 134 V 8.35 3.82 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 0.98 0.00 0.00 1.12 0.00 0.00 135 A 8.09 4.10 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 0.00 136 G 8.23 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.08 3.32 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.64 0.00 0.00 138 A 8.20 3.86 1.44 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 0.00 139 N 8.23 4.31 0.00 2.86 2.90 0.00 0.00 7.03 7.99 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 0.00 140 A 8.13 4.14 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 0.00 141 L 7.72 3.85 0.00 0.82 0.60 -0.05 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.70 4.48 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 0.00 143 H 7.92 4.25 0.00 3.39 3.47 0.00 5.75 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.98 4.24 0.00 1.77 1.74 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.72 7.81 145 Y 7.80 4.14 0.00 2.97 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 0.00 146 H 8.55 4.62 0.00 3.09 3.11 0.00 5.73 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