NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3220 8.3044 120.3258 55.5876 33.0498 177.3114 2 H 4.2252 7.8730 118.1957 54.8453 29.1387 171.2893 3 L 4.7230 7.7738 125.5924 52.7724 44.3274 177.2574 4 T 4.1860 8.5722 114.6236 60.7405 71.1003 174.1445 5 P 4.1947 0.0000 0.0000 65.6853 31.3387 178.9293 6 E 4.0248 8.0766 117.1909 59.1896 29.3415 178.9747 7 E 3.9385 8.0066 118.8222 59.1258 29.4766 179.2144 8 K 3.8505 8.2301 119.9744 59.4128 32.2080 178.9379 9 S 4.1012 8.0994 113.3913 61.1125 62.1588 176.0161 10 A 4.0107 8.1637 123.7248 54.9724 18.0526 179.7663 11 V 3.3926 8.0096 117.1285 66.5029 31.3526 178.4878 12 T 3.9915 8.0962 114.3643 67.1778 68.5658 175.6458 13 A 3.8446 8.7301 122.0359 54.8327 18.1347 179.0495 14 L 3.6623 8.1307 116.2679 57.8125 42.6457 179.8831 15 W 4.3880 8.5042 127.6999 60.4243 30.3733 177.9834 16 G 3.7854 8.2213 104.7382 46.7538 0.0000 174.7299 17 K 4.3802 7.8332 118.6504 55.4660 32.8099 176.5347 18 V 3.7448 6.9387 120.2306 61.8714 32.4020 175.5389 19 N 4.6155 8.1615 124.8925 52.2090 39.5289 175.8579 20 V 3.5809 8.0625 122.8915 64.2529 31.8500 178.1172 21 D 4.3466 8.1301 118.2866 57.3705 40.7436 178.4253 22 E 3.8420 8.1417 119.0547 59.3972 29.8518 178.8210 23 V 3.5582 7.8260 118.4213 65.6339 31.4636 178.2900 24 G 3.6391 8.4925 106.1943 47.6142 0.0000 175.7630 25 G 3.7080 7.8972 108.5060 47.7388 0.0000 175.5599 26 E 3.9650 8.2965 121.1343 58.7465 29.3897 179.3581 27 A 3.9811 7.9894 120.8084 54.7959 18.5074 179.3936 28 L 3.9783 7.8833 118.0141 58.0221 42.4476 179.2516 29 G 3.6619 8.0942 105.6345 48.0425 0.0000 176.0131 30 R 3.9338 8.1037 121.2585 58.4900 30.0768 178.9573 31 L 4.0527 7.8335 120.4417 57.9273 42.0825 178.8538 32 L 4.0418 7.7865 118.9862 57.0407 41.2772 179.4162 33 V 3.5570 7.4404 117.2283 65.7764 31.9073 177.7344 34 V 3.4567 7.5326 116.7191 64.8899 32.7445 175.7216 35 Y 4.0041 7.2844 114.3828 54.1486 38.2127 174.0912 36 P 4.7243 0.0000 0.0000 64.2255 32.0288 178.1004 37 W 4.3885 8.0210 115.4431 59.2460 27.8660 177.6397 38 T 4.3353 7.8578 109.9671 63.3950 68.0190 175.6964 39 Q 4.1244 8.2545 121.8169 58.0180 28.5918 177.8431 40 R 3.7857 7.5891 116.6564 58.8996 29.1905 177.8655 41 F 4.4000 7.1702 115.6326 57.5719 39.4212 175.7754 42 F 4.5336 8.0786 118.8530 56.6919 39.8450 177.0975 43 E 4.0982 8.4085 121.3069 59.1363 29.3973 177.7382 44 S 4.4487 8.0713 112.6563 59.5194 63.5274 175.0030 45 F 4.6228 8.6006 119.9937 58.1474 39.8411 176.3646 46 G 4.0124 7.5106 107.8958 45.0917 0.0000 175.3934 47 D 4.6413 8.6030 126.7657 53.5505 41.1051 175.6109 48 L 4.8772 8.3779 127.4088 54.6189 42.8175 177.6254 49 S 4.4824 8.2459 114.0309 59.5943 63.9803 174.3856 50 T 4.7229 7.3870 111.0226 58.4230 72.9734 172.4826 51 P 4.2033 0.0000 0.0000 66.2236 31.5232 178.7295 52 D 4.3284 8.1069 116.6635 57.2841 40.5152 178.5650 53 A 4.0338 7.6452 120.3253 54.7723 18.7124 179.7189 54 V 3.7046 7.7193 116.6200 66.5285 31.5855 178.2338 55 M 4.1612 8.0802 117.1535 57.6503 31.8789 178.0526 56 G 4.0163 7.6117 102.5168 43.4331 0.0000 173.8551 57 N 4.3004 7.5316 120.5958 53.3963 39.8334 173.4789 58 P 4.2372 0.0000 0.0000 65.9464 31.3875 178.7276 59 K 3.6557 8.3709 118.5507 58.9835 31.8156 179.5269 60 V 3.6786 7.7943 118.1595 65.8909 31.5931 178.1043 61 K 3.9598 8.1702 118.0980 59.4153 31.8873 179.2632 62 A 4.0204 8.2287 121.3195 55.3409 18.2362 179.2050 63 H 4.4257 8.6228 117.1755 59.1853 29.9181 177.8519 64 G 3.5556 8.2482 107.8595 47.6029 0.0000 175.6113 65 K 3.9806 7.9171 121.8594 58.9328 32.2399 178.8787 66 K 3.9420 7.9419 119.4548 59.5416 32.2900 178.8255 67 V 3.6341 8.0302 118.9026 66.3127 31.3377 177.9771 68 L 4.3741 8.2850 118.3952 57.1916 41.4708 179.7088 69 G 3.6905 8.2068 106.0073 47.8893 0.0000 175.6957 70 A 4.1749 8.1244 123.4772 54.5881 18.1159 179.5230 71 F 4.2135 8.0041 118.1383 61.6121 39.7070 177.0133 72 S 4.2758 8.7110 115.1303 62.0944 62.8444 176.3553 73 D 4.4065 8.3125 121.2975 57.6652 40.5798 179.3207 74 G 3.5778 8.0011 105.8685 47.7595 0.0000 175.2482 75 L 3.9299 8.1152 119.5529 56.1636 41.7359 178.2119 76 A 4.2551 7.5497 119.3540 52.7826 19.4328 176.6741 77 H 4.8902 7.8951 115.3372 54.4924 29.8441 175.3857 78 L 4.1325 8.1231 120.2109 57.4002 41.7510 178.3347 79 D 4.6160 7.8536 116.0664 54.8274 42.2109 175.8301 80 N 5.0013 8.4086 118.2850 51.3691 39.3793 174.9626 81 L 3.9397 7.9306 123.1639 58.0038 42.1041 179.3260 82 K 3.9716 8.0418 116.4214 59.5127 32.3075 179.0978 83 G 3.7215 8.1097 105.1358 48.2364 0.0000 175.4474 84 T 3.6819 7.6968 117.3654 65.6876 68.6409 175.6174 85 F 4.7468 7.8997 116.6361 56.9142 39.4382 177.2477 86 A 4.1190 7.7852 122.5108 55.8315 18.1459 180.1262 87 T 3.9029 7.8899 107.4325 64.8830 68.9889 176.6032 88 L 4.0838 8.0074 121.4222 57.5430 41.7027 179.2315 89 S 4.3710 8.4325 114.7072 60.9221 62.2976 175.9549 90 E 3.8290 8.1650 121.2536 59.3567 29.1590 179.1624 91 L 3.8972 7.8561 120.1613 58.6291 42.2076 178.8042 92 H 4.1162 8.7780 116.5616 58.6894 28.1584 177.4783 93 C 3.4871 7.8764 120.5229 61.8770 31.2004 174.6768 94 D 4.3432 7.9153 117.3070 54.3113 41.3495 177.3249 95 K 4.2544 7.9714 118.0474 57.1704 33.4332 177.2924 96 L 4.3280 7.6238 115.8478 54.1591 42.7726 175.8102 97 H 4.1593 7.1299 114.3206 56.6484 26.5672 175.2093 98 V 3.6724 8.2501 119.3645 61.1231 32.0022 175.3222 99 A 4.1089 8.6088 130.9382 51.5590 19.0225 176.2068 100 P 3.4858 0.0000 0.0000 65.0976 31.8448 178.4121 101 E 3.9183 8.0584 116.5250 59.5534 29.0291 178.7985 102 N 4.2477 7.9349 117.2848 56.2218 38.4912 177.2681 103 F 4.4277 7.4610 119.1936 60.5897 38.9360 177.9784 104 R 3.9877 7.9316 117.3430 58.9989 29.9455 178.7144 105 L 3.7961 7.7542 118.8150 57.8239 41.6642 179.3138 106 L 4.0554 8.1494 120.2794 58.0557 41.9010 179.1553 107 G 3.6816 8.2606 105.5992 48.0861 0.0000 175.3964 108 N 4.4089 8.2496 119.2930 55.8984 38.4296 177.7826 109 V 3.6280 8.0588 119.7785 65.8746 31.6343 177.7416 110 L 3.8700 8.3424 120.5623 58.1564 41.8370 179.2030 111 V 3.6329 8.0009 118.3025 66.3174 31.4490 177.9222 112 C 4.1578 7.9765 116.0334 62.5722 27.8741 176.2658 113 V 3.5234 7.9831 120.4332 65.7971 31.0218 177.9974 114 L 3.7730 7.8503 118.5857 57.6539 41.2739 179.3442 115 A 3.5180 7.2316 120.4948 55.1259 18.0477 179.1327 116 H 4.0378 8.0067 115.8620 59.9211 30.0721 176.9984 117 H 3.8994 8.0420 116.4926 57.7489 28.7280 176.8115 118 F 4.9276 8.3211 117.2218 55.6815 40.0744 177.2925 119 G 3.9080 8.5732 109.6641 45.8004 0.0000 175.9307 120 K 3.8924 9.1369 121.1056 59.7879 31.9677 177.6514 121 E 4.0078 8.0077 118.5725 58.1252 29.9693 177.0805 122 F 4.6461 7.9712 123.1118 57.1096 37.9266 175.5740 123 T 4.1411 7.3323 115.1264 60.5326 71.2152 173.4196 124 P 4.1893 0.0000 0.0000 65.6124 31.2084 177.2252 125 P 4.2099 0.0000 0.0000 65.4174 31.2765 178.9010 126 V 3.5325 7.3820 117.2114 65.6643 31.3269 177.6301 127 Q 3.4539 7.9176 119.5465 59.2815 28.7272 178.3565 128 A 3.9651 8.0855 121.2867 55.3288 18.3226 179.4927 129 A 3.9501 7.7964 119.1325 55.4078 18.4239 179.5032 130 Y 3.8515 8.0641 115.1843 61.0836 37.8720 178.7975 131 Q 4.1383 8.4765 119.5696 58.8885 28.8513 178.7228 132 K 4.0067 7.9077 119.4862 59.3823 32.1239 179.6481 133 V 3.5211 7.8312 118.5720 66.0998 31.3755 178.6185 134 V 3.8899 8.4433 112.4069 64.1840 31.2687 178.4970 135 A 4.1153 8.2108 121.0251 55.1109 18.1986 179.9622 136 G 3.4887 8.1538 104.3621 47.8426 0.0000 176.2057 137 V 3.5120 7.7972 120.2695 65.5319 31.2958 177.9973 138 A 3.9504 8.0838 119.9929 55.3366 18.4728 179.0722 139 N 4.4212 8.4447 114.9390 56.3994 38.4407 177.5880 140 A 4.0594 8.3400 122.6763 54.9858 17.9453 179.5558 141 L 3.8012 7.9500 116.9358 56.6724 41.5226 178.3312 142 A 4.5137 7.6217 119.4450 52.6136 19.1972 178.3093 143 H 4.3651 8.0197 113.5731 57.6251 28.8003 176.2458 144 K 4.2941 7.7065 119.2715 56.3098 32.1757 176.1496 145 Y 4.1925 8.1656 118.7896 57.9745 38.4244 175.4564 146 H 4.5297 8.3409 118.7782 55.9673 28.6441 173.0664 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 4.32 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 2 H 7.87 4.23 0.00 3.17 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.77 4.72 0.00 1.56 1.49 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.57 4.19 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 1.25 0.00 0.00 5 P 0.00 4.19 0.00 2.15 2.11 0.00 3.56 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 6 E 8.08 4.02 0.00 1.95 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 2.38 2.33 0.00 7 E 8.01 3.94 0.00 2.25 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 2.28 2.28 0.00 8 K 8.23 3.85 0.00 1.74 1.82 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.36 7.81 9 S 8.10 4.10 0.00 3.94 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 10 A 8.16 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.01 3.39 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 0.59 0.00 0.00 0.41 0.00 0.00 12 T 8.10 3.99 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 1.25 0.00 0.00 13 A 8.73 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.13 3.66 0.00 1.81 2.04 0.06 1.16 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 15 W 8.50 4.39 0.00 3.82 3.24 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 16 G 8.22 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 7.83 4.38 0.00 1.94 2.01 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.43 7.81 18 V 6.94 3.74 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 0.06 0.00 0.00 0.41 0.00 0.00 19 N 8.16 4.62 0.00 2.79 2.75 0.00 0.00 7.21 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 8.06 3.58 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.98 0.00 0.00 21 D 8.13 4.35 0.00 2.87 2.71 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 0.00 0.00 0.00 0.00 22 E 8.14 3.84 0.00 1.99 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 2.34 0.00 23 V 7.83 3.56 1.90 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 0.83 0.00 0.00 0.58 0.00 0.00 24 G 8.49 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 25 G 7.90 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.30 3.97 0.00 2.07 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 2.30 2.47 0.00 27 A 7.99 3.98 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 28 L 7.88 3.98 0.00 1.61 1.67 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.09 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 30 R 8.10 3.93 0.00 1.91 1.94 0.00 3.06 0.00 0.00 3.01 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 31 L 7.83 4.05 0.00 1.80 1.80 0.95 0.71 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 32 L 7.79 4.04 0.00 1.86 1.65 0.68 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.44 3.56 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 0.76 0.00 0.00 0.91 0.00 0.00 34 V 7.53 3.46 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 -0.10 0.00 0.00 0.78 0.00 0.00 35 Y 7.28 4.00 0.00 2.55 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 4.72 0.00 2.24 2.14 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 37 W 8.02 4.39 0.00 3.49 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 38 T 7.86 4.34 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 39 Q 8.25 4.12 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 40 R 7.59 3.79 0.00 1.62 1.89 0.00 2.99 0.00 0.00 2.54 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.00 41 F 7.17 4.40 0.00 2.27 2.39 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 42 F 8.08 4.53 0.00 2.81 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 0.00 0.00 0.00 0.00 43 E 8.41 4.10 0.00 2.09 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 0.00 2.26 2.32 0.00 44 S 8.07 4.45 0.00 4.15 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 0.00 45 F 8.60 4.62 0.00 3.08 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.51 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 47 D 8.60 4.64 0.00 2.65 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 48 L 8.38 4.88 0.00 1.66 1.62 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.25 4.48 0.00 4.02 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.39 4.72 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 4.20 0.00 2.15 2.11 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 8.11 4.33 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 7.65 4.03 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 54 V 7.72 3.70 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 0.99 0.00 0.00 0.97 0.00 0.00 55 M 8.08 4.16 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.82 0.00 56 G 7.61 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 0.00 0.00 0.00 57 N 7.53 4.30 0.00 3.07 2.87 0.00 0.00 6.83 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 58 P 0.00 4.24 0.00 2.24 2.25 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 59 K 8.37 3.66 0.00 1.54 0.74 0.00 1.55 0.00 0.00 1.30 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.20 1.27 7.81 60 V 7.79 3.68 2.24 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 1.04 0.00 0.00 1.04 0.00 0.00 61 K 8.17 3.96 0.00 1.95 1.82 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.56 7.81 62 A 8.23 4.02 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 63 H 8.62 4.43 0.00 3.53 3.50 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 8.25 3.56 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 0.00 0.00 0.00 65 K 7.92 3.98 0.00 1.85 2.00 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.47 1.61 7.81 66 K 7.94 3.94 0.00 2.09 2.00 0.00 1.88 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.51 7.81 67 V 8.03 3.63 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 0.99 0.00 0.00 0.89 0.00 0.00 68 L 8.29 4.37 0.00 2.01 1.85 1.12 0.71 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 69 G 8.21 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 70 A 8.12 4.17 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.21 0.00 3.00 3.31 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 0.00 72 S 8.71 4.28 0.00 4.44 4.12 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 73 D 8.31 4.41 0.00 2.95 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 74 G 8.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 3.93 0.00 1.43 1.46 0.15 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.55 4.26 1.15 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 0.00 0.00 77 H 7.90 4.89 0.00 3.09 3.14 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.12 4.13 0.00 1.53 1.66 0.78 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.85 4.62 0.00 2.62 2.67 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 80 N 8.41 5.00 0.00 2.63 2.58 0.00 0.00 7.04 6.70 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 81 L 7.93 3.94 0.00 1.72 1.76 0.87 0.82 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 82 K 8.04 3.97 0.00 1.64 1.65 0.00 1.68 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.45 7.81 83 G 8.11 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 0.00 0.00 0.00 84 T 7.70 3.68 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 85 F 7.90 4.75 0.00 3.18 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.79 4.12 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 87 T 7.89 3.90 4.26 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 1.22 0.00 0.00 88 L 8.01 4.08 0.00 2.09 1.86 1.03 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.43 4.37 0.00 4.11 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 90 E 8.16 3.83 0.00 2.29 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 2.30 2.50 0.00 91 L 7.86 3.90 0.00 1.91 1.81 0.92 1.12 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 92 H 8.78 4.12 0.00 3.54 3.73 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.88 3.49 0.00 1.23 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 0.00 0.00 0.00 0.00 94 D 7.92 4.34 0.00 2.56 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 95 K 7.97 4.25 0.00 1.78 1.77 0.00 1.52 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.39 7.81 96 L 7.62 4.33 0.00 1.67 1.61 0.71 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.13 4.16 0.00 3.25 3.45 0.00 5.64 0.00 0.00 0.00 0.00 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.25 3.67 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 0.13 0.00 0.00 0.36 0.00 0.00 99 A 8.61 4.11 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 0.00 100 P 0.00 3.49 0.00 1.93 1.84 0.00 3.39 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.68 0.00 101 E 8.06 3.92 0.00 2.12 2.17 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 2.35 2.38 0.00 102 N 7.93 4.25 0.00 2.47 2.77 0.00 0.00 6.91 7.65 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 0.00 103 F 7.46 4.43 0.00 3.05 2.87 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 0.00 104 R 7.93 3.99 0.00 1.93 1.98 0.00 3.13 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 1.73 0.00 105 L 7.75 3.80 0.00 1.75 1.43 0.61 -0.07 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 0.00 106 L 8.15 4.06 0.00 1.78 1.72 0.91 0.94 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 8.26 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 N 8.25 4.41 0.00 2.95 2.95 0.00 0.00 6.72 7.23 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 0.00 109 V 8.06 3.63 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.12 0.00 0.00 110 L 8.34 3.87 0.00 1.73 1.84 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.00 3.63 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 1.34 0.00 0.00 1.24 0.00 0.00 112 C 7.98 4.16 0.00 2.97 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 0.00 113 V 7.98 3.52 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 0.91 0.00 0.00 0.93 0.00 0.00 114 L 7.85 3.77 0.00 1.22 1.16 0.61 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.23 3.52 1.23 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 0.00 0.00 116 H 8.01 4.04 0.00 3.19 3.47 0.00 5.78 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 0.00 117 H 8.04 3.90 0.00 2.71 2.41 0.00 5.67 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.32 4.93 0.00 3.18 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 0.00 119 G 8.57 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 0.00 120 K 9.14 3.89 0.00 1.92 2.03 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.44 7.81 121 E 8.01 4.01 0.00 2.17 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 2.29 2.28 0.00 122 F 7.97 4.65 0.00 3.05 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.33 4.14 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 1.25 0.00 0.00 124 P 0.00 4.19 0.00 2.16 2.15 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 125 P 0.00 4.21 0.00 2.11 2.07 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 2.09 2.12 0.00 126 V 7.38 3.53 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 0.97 0.00 0.00 0.90 0.00 0.00 127 Q 7.92 3.45 0.00 1.74 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 128 A 8.09 3.97 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 0.00 129 A 7.80 3.95 1.22 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 0.00 130 Y 8.06 3.85 0.00 3.34 3.27 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 0.00 131 Q 8.48 4.14 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.71 2.62 0.00 132 K 7.91 4.01 0.00 1.87 1.84 0.00 1.80 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 133 V 7.83 3.52 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 0.83 0.00 0.00 0.75 0.00 0.00 134 V 8.44 3.89 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.11 0.00 0.00 135 A 8.21 4.12 1.42 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 0.00 0.00 136 G 8.15 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 0.00 137 V 7.80 3.51 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.72 0.00 0.00 138 A 8.08 3.95 1.42 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 0.00 0.00 139 N 8.44 4.42 0.00 2.89 2.88 0.00 0.00 6.95 7.84 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 0.00 140 A 8.34 4.06 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 7.95 3.80 0.00 1.12 0.48 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.62 4.51 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 0.00 143 H 8.02 4.37 0.00 3.29 3.65 0.00 5.75 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.71 4.29 0.00 1.79 1.81 0.00 1.66 0.00 0.00 1.50 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.19 1.51 7.81 145 Y 8.17 4.19 0.00 3.00 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 0.00 146 H 8.34 4.53 0.00 3.16 3.24 0.00 5.75 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