NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3123 8.2644 123.5834 52.3814 19.4732 175.9035 3 R 3.9472 7.8702 123.0051 57.5991 30.5588 175.5467 4 R 3.9678 8.1657 117.4143 56.4510 31.4581 175.5913 5 R 4.6708 7.5069 120.0995 54.4760 32.8660 177.9642 6 R 4.1680 8.6044 120.6841 55.8959 27.5696 174.4252 7 A 3.7935 7.7921 121.4507 50.9595 19.1970 177.6968 8 E 4.0992 8.5559 121.7538 55.5242 30.5888 176.9051 9 V 3.5917 8.1958 121.2195 62.6076 31.6181 175.7544 10 R 3.8797 8.5446 127.7495 56.9803 30.3404 175.4574 11 Q 4.5319 8.3557 124.7280 54.8046 30.6347 174.5321 12 L 4.8425 7.9522 120.9972 52.6681 45.1373 176.5363 13 Q 4.1231 8.6152 121.8530 54.6855 29.1757 174.4809 14 P 4.3336 0.0000 0.0000 62.3297 31.8200 175.1717 15 D 4.4992 8.4554 117.4305 54.7432 41.4585 176.3811 16 L 4.4208 8.6461 124.1622 55.4906 41.6908 176.9488 17 V 4.2427 7.8250 116.6867 64.4602 34.0386 175.8999 18 Y 4.2153 9.2154 115.2290 57.4005 38.3721 175.9554 19 G 4.4714 8.1698 107.3462 46.3343 0.0000 172.7524 20 D 4.9921 7.9622 118.1931 51.7649 43.7477 176.6115 21 V 3.6157 8.6415 120.2440 64.4903 31.6615 177.9164 22 L 3.9105 8.0592 120.0140 58.6112 41.7703 178.7471 23 V 2.9737 8.1664 117.0283 66.4270 30.9801 177.4816 24 T 3.7358 7.4125 114.1028 67.1233 68.6501 175.4865 25 A 3.9612 7.8621 121.6304 55.6306 18.3278 179.0258 26 F 4.0666 8.3913 117.6782 61.8174 39.4080 177.8572 27 I 3.4444 7.7487 119.2581 64.1816 36.5227 178.3090 28 N 4.2420 8.0038 117.0742 56.2815 38.4964 177.2854 29 K 4.0219 7.7753 118.0494 59.3982 32.1856 179.0196 30 I 3.6136 7.2262 119.3301 63.4780 37.4158 176.8141 31 M 4.1468 7.2275 118.3691 55.7605 32.8844 175.2647 32 R 4.5695 7.9552 118.8708 55.7041 32.5425 174.4672 33 D 4.2517 9.6557 116.7255 55.0439 38.5207 174.3714 34 G 3.8980 8.1312 104.2572 46.5495 0.0000 175.8568 35 K 4.2825 7.7545 121.4367 54.6226 30.3507 177.6398 36 K 4.1477 7.8193 119.6832 58.3610 32.5116 176.2584 37 N 4.5821 8.0754 117.1957 55.8601 39.0553 176.0921 38 L 3.8651 7.9023 121.3823 58.6696 42.2354 178.9449 39 A 3.9621 8.1627 120.2953 54.3305 18.2426 178.9809 40 A 3.8301 7.5413 117.3732 56.1809 18.9594 179.3443 41 R 3.8692 8.6451 114.9091 60.2116 30.0336 179.3793 42 I 3.4150 8.0844 116.8768 64.6871 37.6359 177.5416 43 F 4.0692 8.6726 121.7658 61.6430 39.1807 177.4582 44 Y 4.0950 8.2940 116.3473 61.0608 37.7954 177.2197 45 D 4.4350 8.3697 117.5761 57.6605 41.0625 178.9793 46 A 4.0289 8.1190 120.8312 55.5406 18.1731 179.2505 47 C 3.6853 7.3979 114.7093 63.1683 28.1580 176.9386 48 K 4.2060 8.1827 119.9025 59.4690 31.7532 179.5033 49 I 3.8041 8.0450 120.5549 64.1338 36.8026 177.8962 50 I 4.0103 7.0887 117.9854 62.5945 36.9586 176.8509 51 Q 4.6273 7.5727 119.9633 57.1107 29.6968 177.4423 52 E 4.1510 7.9001 117.7519 58.2882 29.7511 177.8038 53 K 4.6713 7.6988 114.6490 55.9080 34.4945 175.8162 54 T 4.7486 8.2996 115.8644 61.9220 72.7097 175.0802 55 G 3.6220 8.6359 112.6968 48.2585 0.0000 174.7303 56 Q 4.2574 7.7608 117.2567 55.1001 30.0182 175.7095 57 E 4.2189 8.4752 118.9575 55.5773 29.9080 175.7036 58 P 4.2423 0.0000 0.0000 65.9676 31.9900 177.9548 59 L 3.8495 8.3515 120.2095 57.6958 41.7884 179.2130 60 K 3.9649 7.2851 116.7094 59.7427 32.2856 178.2494 61 V 3.7083 8.0554 118.3640 66.2889 31.6084 177.1462 62 F 4.0378 8.4325 119.4201 61.7849 38.8999 176.9714 63 K 3.6972 8.5065 117.8367 59.4276 31.9925 178.9376 64 Q 3.8631 8.2783 119.7979 58.7980 29.1114 177.2219 65 A 3.9045 7.8945 121.3689 55.6338 18.0190 179.2275 66 V 3.2628 7.1492 114.6477 66.0604 31.6289 177.4150 67 E 3.8951 7.6113 118.8928 60.0585 29.7708 177.8606 68 N 4.5266 8.1541 116.8654 54.3391 38.4886 177.0469 69 V 3.9289 7.8262 123.8003 64.9105 31.9948 176.2717 70 K 3.9107 7.5493 117.0424 55.8508 31.6057 174.7323 71 P 4.6973 0.0000 0.0000 62.5688 31.7882 177.0387 72 R 4.1432 9.6454 122.8038 58.9298 30.4755 176.5244 73 M 5.1798 7.8027 116.2031 53.6086 36.7353 174.2143 74 E 5.0415 8.7313 119.2553 54.4008 33.9436 175.0890 75 V 4.7755 8.1039 118.6935 59.0572 32.9141 175.3655 76 R 4.1641 8.1517 125.4272 55.5671 31.4496 176.6201 77 S 4.7050 8.5530 117.5830 58.6664 63.6257 173.8963 78 R 4.5599 8.4191 116.8969 55.2067 32.7532 172.3593 79 R 4.1789 8.7493 125.4947 56.7412 30.8867 175.8540 80 V 4.0929 8.2749 119.4962 60.8047 34.8802 175.5961 81 G 3.8191 10.0107 110.7993 46.3729 0.0000 173.2065 82 G 4.0166 8.0597 106.1348 44.9448 0.0000 174.3929 83 A 4.1080 7.2472 115.6088 50.6771 22.5424 176.3705 84 N 4.6326 8.9768 121.3917 53.4150 39.0349 174.2370 85 Y 4.8416 8.1727 121.5888 55.9260 40.8853 175.1991 86 Q 4.2383 8.8020 124.0138 56.1369 29.6635 175.6632 87 V 4.5391 8.9779 126.0769 60.4422 33.6410 173.0076 88 P 5.1299 0.0000 0.0000 62.8773 31.8179 175.2344 89 M 4.8138 8.7666 119.4084 53.7639 34.8362 173.9126 90 E 4.0509 8.8612 119.4493 57.1655 30.6476 176.7403 91 V 4.3696 7.7541 121.5961 60.7067 33.4575 175.6606 92 S 4.1304 8.8198 122.7934 58.2461 62.7181 173.6700 93 P 4.2779 0.0000 0.0000 65.6163 30.6524 178.6550 94 R 3.8684 7.7566 118.4540 59.4828 30.3433 178.0791 95 R 3.8103 8.0066 118.4642 59.0564 29.9704 177.9388 96 Q 3.7667 8.5781 119.9853 59.4040 29.0046 178.3713 97 Q 3.8567 7.5992 118.9945 59.2060 28.9631 178.5639 98 S 3.9679 7.7497 115.8364 61.6666 62.8436 176.5806 99 L 3.1545 7.9977 121.6426 57.4996 41.0643 179.2692 100 A 3.9193 7.5217 120.5759 55.2438 18.3666 179.6416 101 L 4.1242 7.9703 116.7679 57.6852 41.6475 180.0251 102 R 3.8409 8.1532 119.0151 59.1970 30.0967 178.5109 103 W 4.5039 8.1684 119.0434 60.2298 29.0926 177.8528 104 L 4.0633 8.8015 118.7918 58.6061 41.1126 179.7434 105 V 3.7129 8.1242 116.9556 66.3022 31.2605 178.2601 106 Q 3.9901 8.2521 116.8060 58.9645 28.8574 178.0442 107 A 4.1185 8.7515 121.5723 55.7770 18.3629 178.9203 108 A 4.0951 8.6104 118.3205 56.1755 18.2081 179.1498 109 N 4.5844 8.3764 110.3147 54.4902 38.6493 176.3722 110 Q 4.5741 8.4321 119.4409 55.1198 30.1104 175.6582 111 R 4.2812 8.2891 120.3291 55.4177 30.9678 174.3005 112 P 4.5859 0.0000 0.0000 63.9173 32.3530 176.3227 113 E 3.9570 8.2533 116.1658 56.6956 29.5558 177.2123 114 R 3.9508 8.7281 121.8726 59.1369 30.5172 177.1780 115 R 4.0741 7.9744 117.9010 55.4475 29.9059 176.3747 116 A 3.9115 8.7354 125.2697 55.7535 17.9152 178.6886 117 A 3.9296 8.1530 117.8071 55.2339 18.2731 179.9851 118 V 3.4978 7.9448 116.9508 66.2010 31.6929 178.0626 119 R 3.9802 7.6723 117.9393 59.7416 30.0207 178.9615 120 I 3.8080 7.8545 118.3691 64.4060 37.0744 177.8613 121 A 3.9480 7.5809 120.1815 55.5968 18.2173 179.2431 122 H 4.1838 8.6883 114.1432 59.1384 28.9430 177.5621 123 E 4.0255 8.9323 121.3097 59.3616 29.1337 178.7054 124 L 4.0079 8.2345 119.6150 58.5119 42.5037 178.5162 125 M 4.1762 8.3158 118.8351 58.6352 31.9724 178.1480 126 D 4.4501 8.6929 118.9287 57.6826 40.8446 179.0515 127 A 3.9936 7.9104 119.8157 55.2107 18.4080 179.2038 128 A 4.0724 8.0846 118.0384 55.6085 18.6153 179.3905 129 E 4.1094 8.1053 115.1177 59.0571 29.5537 177.9824 130 G 4.1307 7.6646 105.9131 44.9977 0.0000 172.7109 131 K 4.5674 8.0451 118.1383 54.3466 35.9302 175.9252 132 G 3.9656 9.1848 104.8481 46.1010 0.0000 175.1598 133 G 3.9728 8.6516 109.2015 48.2327 0.0000 175.1460 134 A 4.0444 8.5749 123.3786 53.8749 18.1135 179.3413 135 V 3.5036 7.8433 114.5096 66.2479 31.9745 177.5728 136 K 3.7628 8.4623 118.7334 58.7129 31.8173 178.8969 137 K 3.7463 7.9930 117.4366 59.0631 32.1500 178.7013 138 K 3.5061 7.3188 119.2605 59.6145 32.2316 178.6895 139 E 3.9272 8.4178 119.1448 59.5341 29.3450 179.1753 140 D 4.3389 8.6214 119.2170 57.0634 40.6807 178.9630 141 V 3.5156 7.4616 118.9040 65.9759 31.4700 177.6953 142 E 4.3552 8.1359 118.9355 58.8576 29.3904 179.3793 143 R 4.0006 7.8506 117.7423 59.5574 30.2368 177.6797 144 M 4.0797 7.6735 116.5586 57.9936 32.4216 176.5186 145 A 4.0848 7.6855 120.1927 52.1323 19.7984 176.5105 146 E 3.6797 8.4977 117.4786 55.7755 27.3724 173.4949 147 A 4.6438 7.0405 123.6829 52.5885 22.1204 176.8807 148 N 5.1350 7.4325 111.8837 52.6716 40.6352 175.9489 149 R 3.9460 8.2417 119.7328 58.5914 30.1348 176.9727 150 A 4.3768 7.6235 118.8818 53.0941 18.3997 177.3965 151 Y 4.3412 7.9462 112.7835 59.3315 40.3684 176.8902 152 A 4.2879 7.9444 123.1842 54.1041 18.4836 178.9193 153 H 4.6150 7.9566 110.5072 57.4130 29.3942 175.2473 154 Y 4.8990 7.9109 118.2996 63.8580 39.1231 178.3149 155 R 3.5693 6.6493 116.0154 54.0678 32.6523 176.3739 156 W 3.4333 9.4863 135.0000 57.8072 31.2673 173.0201 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 A 8.26 4.31 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 3 R 7.87 3.95 0.00 1.87 1.96 0.00 3.25 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 4 R 8.17 3.97 0.00 1.84 1.81 0.00 3.23 0.00 0.00 3.22 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 5 R 7.51 4.67 0.00 1.78 1.83 0.00 3.21 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 6 R 8.60 4.17 0.00 1.80 1.92 0.00 3.25 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 7 A 7.79 3.79 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 8 E 8.56 4.10 0.00 2.07 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 2.27 2.35 0.00 9 V 8.20 3.59 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 0.77 0.00 0.00 0.92 0.00 0.00 10 R 8.54 3.88 0.00 1.80 1.83 0.00 3.26 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 11 Q 8.36 4.53 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.49 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 12 L 7.95 4.84 0.00 1.62 1.50 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.62 4.12 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 14 P 0.00 4.33 0.00 2.22 2.14 0.00 3.79 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 2.02 2.01 0.00 15 D 8.46 4.50 0.00 3.07 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 16 L 8.65 4.42 0.00 1.78 1.73 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.83 4.24 2.53 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 0.40 0.00 0.00 0.49 0.00 0.00 18 Y 9.22 4.22 0.00 3.17 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 19 G 8.17 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.96 4.99 0.00 2.77 2.58 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 21 V 8.64 3.62 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 0.77 0.00 0.00 0.95 0.00 0.00 22 L 8.06 3.91 0.00 1.81 2.02 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.17 2.97 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 0.59 0.00 0.00 0.74 0.00 0.00 24 T 7.41 3.74 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 25 A 7.86 3.96 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 26 F 8.39 4.07 0.00 3.23 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 27 I 7.75 3.44 1.83 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.11 0.78 0.00 0.00 28 N 8.00 4.24 0.00 2.75 2.82 0.00 0.00 7.05 7.34 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 29 K 7.78 4.02 0.00 1.68 1.74 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.44 7.81 30 I 7.23 3.61 1.80 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.17 0.80 0.00 0.00 31 M 7.23 4.15 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.46 0.00 32 R 7.96 4.57 0.00 1.95 1.92 0.00 3.15 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 33 D 9.66 4.25 0.00 2.82 2.77 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 34 G 8.13 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 0.00 0.00 0.00 35 K 7.75 4.28 0.00 1.83 1.77 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.36 7.81 36 K 7.82 4.15 0.00 1.81 1.79 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.48 7.81 37 N 8.08 4.58 0.00 2.79 2.71 0.00 0.00 6.70 7.12 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 38 L 7.90 3.87 0.00 1.79 1.70 0.93 1.15 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 39 A 8.16 3.96 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 40 A 7.54 3.83 1.56 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 41 R 8.65 3.87 0.00 2.09 2.13 0.00 3.20 0.00 0.00 3.20 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 42 I 8.08 3.41 2.06 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 0.74 0.93 0.00 0.00 43 F 8.67 4.07 0.00 2.99 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 44 Y 8.29 4.09 0.00 3.27 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.37 4.43 0.00 2.77 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 46 A 8.12 4.03 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 47 C 7.40 3.69 0.00 3.10 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 K 8.18 4.21 0.00 2.03 1.85 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.66 7.81 49 I 8.04 3.80 1.95 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 1.62 1.16 0.86 0.00 0.00 50 I 7.09 4.01 1.85 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 1.51 0.34 0.92 0.00 0.00 51 Q 7.57 4.63 0.00 2.40 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.78 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 52 E 7.90 4.15 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 2.35 2.60 0.00 53 K 7.70 4.67 0.00 1.82 1.79 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.51 7.81 54 T 8.30 4.75 4.61 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 1.28 0.00 0.00 55 G 8.64 3.62 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 0.00 0.00 0.00 56 Q 7.76 4.26 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 57 E 8.48 4.22 0.00 2.10 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 2.44 2.33 0.00 58 P 0.00 4.24 0.00 2.22 2.53 0.00 3.85 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.27 0.00 59 L 8.35 3.85 0.00 1.88 1.90 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.29 3.96 0.00 1.86 2.14 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.57 7.81 61 V 8.06 3.71 2.33 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 1.05 0.00 0.00 1.02 0.00 0.00 62 F 8.43 4.04 0.00 3.05 3.18 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 0.00 0.00 0.00 0.00 63 K 8.51 3.70 0.00 1.99 1.87 0.00 1.73 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.70 7.81 64 Q 8.28 3.86 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 65 A 7.89 3.90 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 66 V 7.15 3.26 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 0.64 0.00 0.00 0.12 0.00 0.00 67 E 7.61 3.90 0.00 2.03 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 2.31 2.41 0.00 68 N 8.15 4.53 0.00 2.98 2.73 0.00 0.00 6.43 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.83 3.93 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 1.20 0.00 0.00 1.03 0.00 0.00 70 K 7.55 3.91 0.00 1.81 1.77 0.00 1.84 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.40 1.51 7.81 71 P 0.00 4.70 0.00 2.37 2.53 0.00 3.69 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 72 R 9.65 4.14 0.00 1.83 2.02 0.00 3.25 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.75 0.00 73 M 7.80 5.18 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 74 E 8.73 5.04 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 2.11 2.16 0.00 75 V 8.10 4.78 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 1.21 0.00 0.00 1.01 0.00 0.00 76 R 8.15 4.16 0.00 1.20 1.34 0.00 2.43 0.00 0.00 2.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.36 0.00 77 S 8.55 4.70 0.00 3.91 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.42 4.56 0.00 2.65 2.01 0.00 3.23 0.00 0.00 3.29 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.42 0.00 79 R 8.75 4.18 0.00 1.85 1.79 0.00 3.28 0.00 0.00 3.08 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 80 V 8.27 4.09 1.64 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 0.59 0.00 0.00 0.44 0.00 0.00 81 G 10.01 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 82 G 8.06 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 83 A 7.25 4.11 0.82 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 84 N 8.98 4.63 0.00 2.62 2.79 0.00 0.00 6.95 7.46 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 85 Y 8.17 4.84 0.00 2.80 2.36 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 86 Q 8.80 4.24 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 87 V 8.98 4.54 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 1.31 0.00 0.00 1.29 0.00 0.00 88 P 0.00 5.13 0.00 2.14 2.07 0.00 3.97 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 89 M 8.77 4.81 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 90 E 8.86 4.05 0.00 1.87 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 2.34 0.00 91 V 7.75 4.37 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 0.74 0.00 0.00 0.98 0.00 0.00 92 S 8.82 4.13 0.00 4.01 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 0.00 93 P 0.00 4.28 0.00 2.26 2.35 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 94 R 7.76 3.87 0.00 1.92 1.91 0.00 3.20 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 95 R 8.01 3.81 0.00 1.85 1.94 0.00 3.09 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 96 Q 8.58 3.77 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 97 Q 7.60 3.86 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 98 S 7.75 3.97 0.00 3.92 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 99 L 8.00 3.15 0.00 1.16 0.13 0.74 0.65 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 0.00 100 A 7.52 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 0.00 101 L 7.97 4.12 0.00 1.74 1.92 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.15 3.84 0.00 1.81 1.80 0.00 3.10 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 103 W 8.17 4.50 0.00 3.60 3.11 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 0.00 104 L 8.80 4.06 0.00 2.13 2.06 0.83 1.05 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 0.00 105 V 8.12 3.71 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 0.95 0.00 0.00 0.65 0.00 0.00 106 Q 8.25 3.99 0.00 2.36 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.66 0.00 0.00 0.00 0.00 0.00 2.47 2.74 0.00 107 A 8.75 4.12 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.61 4.10 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.38 4.58 0.00 2.89 2.88 0.00 0.00 7.06 7.20 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 0.00 110 Q 8.43 4.57 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.39 6.91 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 111 R 8.29 4.28 0.00 1.95 2.20 0.00 3.21 0.00 0.00 3.45 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 112 P 0.00 4.59 0.00 2.17 2.17 0.00 3.81 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 1.93 1.94 0.00 113 E 8.25 3.96 0.00 2.13 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 2.33 2.40 0.00 114 R 8.73 3.95 0.00 1.83 2.05 0.00 3.21 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 115 R 7.97 4.07 0.00 1.88 1.89 0.00 3.17 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 116 A 8.74 3.91 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 0.00 117 A 8.15 3.93 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 0.00 118 V 7.94 3.50 2.29 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 0.86 0.00 0.00 0.93 0.00 0.00 119 R 7.67 3.98 0.00 2.01 2.18 0.00 3.42 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 120 I 7.85 3.81 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.50 1.33 0.00 0.00 121 A 7.58 3.95 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 0.00 122 H 8.69 4.18 0.00 3.16 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.93 4.03 0.00 2.13 2.16 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 2.63 2.48 0.00 124 L 8.23 4.01 0.00 2.14 1.74 1.03 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 125 M 8.32 4.18 0.00 2.12 2.29 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.61 0.00 126 D 8.69 4.45 0.00 2.74 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 0.00 127 A 7.91 3.99 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 0.00 128 A 8.08 4.07 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 0.00 129 E 8.11 4.11 0.00 2.08 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 2.32 2.39 0.00 130 G 7.66 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.05 4.57 0.00 1.82 1.79 0.00 1.54 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.29 1.54 7.81 132 G 9.18 3.97 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 0.00 0.00 0.00 133 G 8.65 3.97 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 0.00 0.00 0.00 134 A 8.57 4.04 1.46 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 0.00 0.00 135 V 7.84 3.50 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 1.07 0.00 0.00 0.95 0.00 0.00 136 K 8.46 3.76 0.00 1.81 1.83 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.51 7.81 137 K 7.99 3.75 0.00 1.13 0.76 0.00 1.52 0.00 0.00 1.16 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.17 1.46 7.81 138 K 7.32 3.51 0.00 1.93 2.00 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.31 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.63 1.94 7.81 139 E 8.42 3.93 0.00 2.04 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 2.31 2.62 0.00 140 D 8.62 4.34 0.00 2.70 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 0.00 141 V 7.46 3.52 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 1.26 0.00 0.00 0.77 0.00 0.00 142 E 8.14 4.36 0.00 1.97 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 2.39 2.39 0.00 143 R 7.85 4.00 0.00 1.90 2.08 0.00 3.43 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 144 M 7.67 4.08 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.62 0.00 145 A 7.69 4.08 1.27 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 0.00 0.00 146 E 8.50 3.68 0.00 2.06 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 2.20 2.23 0.00 147 A 7.04 4.64 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 0.00 0.00 148 N 7.43 5.13 0.00 2.84 3.01 0.00 0.00 6.74 7.66 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 0.00 149 R 8.24 3.95 0.00 1.83 1.90 0.00 3.14 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 150 A 7.62 4.38 0.82 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 0.00 151 Y 7.95 4.34 0.00 3.16 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 0.00 152 A 7.94 4.29 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 0.00 153 H 7.96 4.61 0.00 3.28 3.35 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 7.91 4.90 0.00 3.26 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 0.00 155 R 6.65 3.57 0.00 1.96 1.32 0.00 3.44 0.00 0.00 3.23 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.69 0.00 156 W 9.49 3.43 0.00 3.60 3.16 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