NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4598 8.3044 118.1949 55.1425 32.5661 174.2712 1 V 4.2577 7.9198 118.5610 60.7442 34.4690 173.3921 2 L 4.4441 8.2894 127.2088 53.6536 43.8914 176.7553 3 S 4.5413 8.6071 117.4001 57.6911 65.3875 175.1665 4 E 4.3119 8.7989 122.3363 59.3731 29.4595 178.9951 5 G 3.6164 8.0843 105.5173 47.7705 0.0000 175.4392 6 E 3.9267 8.0856 120.6693 58.9188 29.4368 179.4149 7 W 4.3187 8.0328 119.0233 59.8488 29.1145 178.4579 8 Q 4.1360 8.5092 118.1454 59.1753 28.0736 179.0754 9 L 4.0912 7.9136 119.5516 57.6585 41.6258 179.8527 10 V 3.7466 7.8744 118.1570 66.2328 31.6198 178.2471 11 L 4.2991 8.6610 118.8717 57.5854 41.1038 179.0640 12 H 4.2494 8.5222 119.0714 59.2734 29.8894 177.6885 13 V 3.6297 7.8117 121.1466 64.3201 31.3305 178.1411 14 W 3.9604 8.5263 128.9424 60.1387 30.2659 177.7578 15 A 3.9773 7.9124 120.1856 54.9081 18.0079 179.5063 16 K 3.9460 7.3023 117.0750 59.4151 32.1720 179.5773 17 V 2.8467 7.1429 118.4391 65.8239 31.0354 177.7110 18 E 3.8761 7.6299 116.1560 58.2387 29.2833 178.5796 19 A 4.2084 7.4917 120.4685 53.7404 19.9689 177.6155 20 D 4.6586 7.8939 116.7066 51.9998 42.5355 175.4957 21 V 3.4533 7.9274 123.0445 65.5074 32.0785 176.7515 22 A 4.0517 7.9866 120.1399 55.1040 18.2965 179.6775 23 G 3.7767 8.2042 105.5175 47.8373 0.0000 175.6964 24 H 4.1578 8.2729 119.1038 58.2827 28.7833 178.0593 25 G 3.6759 8.3731 107.9174 47.8937 0.0000 175.7522 26 Q 3.9083 8.0728 120.3665 58.8031 28.8171 178.3808 27 D 4.3010 7.9099 119.8111 57.5583 40.8356 179.1689 28 I 3.6163 7.7500 119.9737 64.7941 37.0336 178.3385 29 H 3.5562 7.8665 116.6383 58.4882 28.3214 178.0127 30 I 3.6772 7.7712 121.8747 64.1067 36.8147 178.3489 31 R 3.7547 7.8427 119.5408 59.2594 29.8685 178.1220 32 L 3.8740 7.6898 119.9833 58.4425 41.5279 179.0771 33 F 4.6079 7.9862 117.8482 60.5422 38.5649 177.9620 34 K 4.0543 8.2435 117.8158 59.5571 31.9790 179.3541 35 S 4.2731 8.1084 114.6730 60.3514 64.2185 174.5293 36 H 4.7524 8.3621 118.5588 51.8161 29.4394 171.6837 37 P 4.4559 0.0000 0.0000 64.6836 31.5073 177.5440 38 E 4.1039 8.2527 116.1154 59.5338 29.5018 179.1768 39 T 3.7577 8.1522 111.0164 64.4815 68.7711 176.2689 40 L 3.8228 8.0465 122.9214 57.7519 41.7561 178.6670 41 E 4.1515 7.9703 117.2581 58.7882 29.4322 178.6975 42 K 4.4314 8.0962 117.0342 57.0145 32.7812 177.5765 43 F 4.6262 8.1103 119.2309 55.5872 39.0023 175.7173 44 D 4.3726 8.5388 124.3829 57.1300 41.0301 178.6194 45 R 3.7644 7.8359 118.1053 58.1455 30.2677 176.6011 46 F 4.9523 7.5123 113.3460 56.4593 40.8121 176.6858 47 K 3.8468 8.2823 120.9879 59.8632 31.9540 177.6498 48 H 4.3913 8.1885 112.2366 57.1734 29.0155 175.5188 49 L 4.0221 7.5680 121.3132 55.2432 41.6123 176.8500 50 K 4.2726 9.2097 124.0740 57.5531 33.2131 177.2190 51 T 4.7294 7.4419 107.3857 59.0135 73.1093 174.3220 52 E 3.8998 8.6190 120.9720 59.2219 29.7201 178.6091 53 A 3.9846 7.9216 120.5218 55.2267 18.2975 179.3218 54 E 3.9541 7.8814 116.0415 59.6585 29.7775 179.1591 55 M 4.1781 8.1533 118.8665 58.4702 31.8453 179.0289 56 K 3.9829 8.2278 117.4549 59.1727 32.2768 178.7816 57 A 4.3452 7.7331 119.1833 52.6102 18.8380 177.3232 58 S 4.2257 7.4589 113.2349 57.7716 62.7224 174.4490 59 E 4.0109 8.8781 129.3846 59.3093 29.4768 178.2416 60 D 4.4715 8.1525 118.7164 57.2621 41.0358 178.2350 61 L 3.2431 8.0282 120.8685 57.7175 42.1132 178.9366 62 K 3.8748 7.9194 119.4590 59.3679 32.1247 178.9200 63 K 3.9839 8.1772 118.7933 59.3807 31.9049 179.0126 64 L 4.1291 8.1549 120.7292 58.1321 41.9545 179.2025 65 G 3.6207 8.1030 105.6711 47.7957 0.0000 175.8281 66 V 3.6140 7.7095 120.1548 66.0333 31.5928 178.1970 67 T 3.8951 7.9658 115.5157 66.6181 68.2600 176.7328 68 V 3.6692 8.1281 120.2054 66.2405 31.5829 178.2001 69 L 4.2467 8.2450 118.7366 57.9877 41.4150 179.7184 70 T 3.9763 8.3703 115.9988 66.5314 68.2632 176.6429 71 A 4.0009 8.1503 122.7543 55.0690 18.3484 179.4874 72 L 3.7429 8.2453 119.1750 58.0493 42.1424 179.3629 73 G 3.3266 8.5298 105.8693 47.6922 0.0000 175.4967 74 A 4.0109 7.7340 122.1481 54.8074 18.6245 179.6463 75 I 3.7746 7.4158 118.2132 64.5838 37.2551 178.5999 76 L 3.9516 7.7587 119.9745 57.7335 41.1826 179.6485 77 K 4.0044 7.7457 116.7733 58.4203 32.2490 178.8102 78 K 3.9449 7.8167 118.4579 56.1507 32.5700 176.6287 79 K 2.0000 8.1466 118.1507 56.4384 29.7568 175.6626 80 G 3.9638 7.9559 106.0977 45.6941 0.0000 173.9664 81 H 4.7752 7.5595 118.5245 54.2957 27.3607 174.7093 82 H 5.2727 7.2107 111.3423 54.5156 29.4059 176.5948 83 E 3.9573 8.6402 121.3491 60.3594 28.9642 179.0278 84 A 4.0360 7.9218 118.2914 55.3848 19.1721 179.1557 85 E 4.0784 8.1691 116.4931 59.2421 29.5167 179.1081 86 L 3.9557 8.0765 120.6821 57.5960 42.0940 178.7042 87 K 3.9090 7.8194 118.8693 59.2564 32.1252 177.4353 88 P 4.3014 0.0000 0.0000 65.6357 31.2632 178.1858 89 L 4.0258 7.5005 118.3331 57.9928 42.0370 178.8136 90 A 4.2059 8.5113 121.2694 55.1040 18.3295 179.3847 91 Q 3.8910 8.3315 118.4104 59.3992 29.1427 178.7394 92 S 4.0269 8.1777 115.2915 61.8540 63.0701 176.1431 93 H 4.2097 8.5405 119.5639 57.8270 27.7090 177.6591 94 A 2.7164 8.0076 122.8079 54.4158 18.3637 178.9923 95 T 3.9473 7.4320 109.1728 62.8812 68.0091 175.7001 96 K 4.0420 7.5005 120.5905 58.8455 32.7496 177.2137 97 H 4.3203 8.0284 114.5067 56.0156 29.4916 175.5247 98 K 3.2366 6.7279 114.5683 57.0024 29.1361 174.8973 99 I 4.3311 8.0003 118.8124 58.5432 38.6688 174.8772 100 P 4.5319 0.0000 0.0000 62.2501 32.1907 177.2900 101 I 3.6215 8.3098 121.4144 64.6958 36.9379 178.4662 102 K 3.6097 7.9505 119.7468 59.9134 31.9143 178.2425 103 Y 4.2320 7.9129 116.5591 60.7984 37.8590 178.2488 104 L 4.2397 7.9127 120.1630 57.5273 41.6787 179.2511 105 E 4.0585 7.9085 118.4197 59.2687 29.4874 179.0055 106 F 4.5199 7.9345 117.8807 60.8430 38.9192 177.6091 107 I 3.8749 8.0586 118.0089 63.8642 37.7597 178.1255 108 S 4.2006 8.0480 116.0532 61.5337 62.6346 176.3774 109 E 4.0555 8.4336 121.1402 59.4313 29.2599 179.2892 110 A 4.0248 8.0338 120.8224 55.0988 18.4181 179.7833 111 I 3.6827 8.1146 118.5980 64.6757 37.2376 178.7393 112 I 3.8416 7.9343 120.6463 64.5474 36.9062 177.9984 113 H 4.1260 8.4543 119.1521 59.3456 29.6578 177.5754 114 V 3.5757 7.8904 120.0294 65.9459 31.2656 178.0372 115 L 3.7911 7.7957 118.8303 57.7692 41.0587 178.8984 116 H 4.3800 7.8002 117.4253 59.3015 29.8890 177.0655 117 S 4.1195 7.7870 113.9417 61.3516 62.3826 175.8212 118 R 4.1187 7.9700 119.1203 57.2850 31.2905 176.3443 119 H 5.0385 8.3411 115.9588 53.7172 29.7700 172.9383 120 P 4.3270 0.0000 0.0000 65.9627 31.5286 179.2859 121 G 3.6808 8.1596 106.4343 47.5047 0.0000 173.6700 122 N 5.0269 8.2338 115.3605 52.9278 39.3862 174.9183 123 F 4.9206 7.9150 118.7792 56.3813 39.6237 174.3182 124 G 3.8997 7.7091 108.8178 43.8363 0.0000 172.0941 125 A 3.8755 8.4298 120.6717 55.4427 18.2691 179.6589 126 D 4.1791 7.9633 116.4681 57.4651 40.9205 178.7567 127 A 3.9397 7.7518 120.7733 55.0749 18.3335 179.3188 128 Q 3.1161 7.7940 118.3917 58.8589 29.0009 178.6307 129 G 3.4924 8.1308 106.7524 47.6213 0.0000 175.5672 130 A 3.8408 7.9185 123.1520 55.0665 18.4095 179.4154 131 M 3.9985 8.1952 116.8831 58.7543 32.2926 177.9012 132 N 4.3208 8.4807 117.5870 56.5795 39.0900 176.7317 133 K 3.8369 8.1892 120.8576 59.3963 32.2595 178.6537 134 A 3.8294 7.9648 121.0698 55.1510 18.1993 179.6602 135 L 4.1453 8.1566 117.5186 57.7760 41.6153 179.5507 136 E 3.9729 8.4758 118.9490 59.1501 29.3812 179.0192 137 L 3.9531 8.1358 120.5006 58.0561 42.1546 178.6632 138 F 4.1753 8.3095 120.5191 61.6374 39.2585 177.3612 139 R 3.4652 8.2527 117.7374 58.7677 29.8007 179.0298 140 K 3.8242 8.2904 119.8234 59.6955 32.2987 178.7195 141 D 4.3496 8.1243 119.1521 57.3126 40.6128 178.8856 142 I 3.4544 7.5785 120.2509 64.0512 37.0219 178.2727 143 A 3.6627 7.9223 121.6714 54.9963 18.3013 179.5260 144 A 3.9456 7.9579 119.2309 55.2712 18.4521 180.0839 145 K 4.0120 8.0247 116.9402 59.6416 32.0965 179.0220 146 Y 4.4006 8.4192 117.5353 61.1672 37.8531 178.7509 147 K 3.9418 8.1152 120.1366 59.7983 32.1184 178.6687 148 E 4.0511 7.9154 116.8724 59.1305 29.4528 178.6028 149 L 4.3563 7.8913 116.7484 55.1103 41.9718 177.7426 150 G 3.9497 8.0588 107.4797 45.5893 0.0000 172.9741 151 Y 4.2541 7.8858 119.3387 59.7980 40.1026 177.3762 152 Q 3.1604 7.9582 114.6537 56.7807 26.7219 174.3120 153 G 3.3586 7.5455 114.2224 45.3964 0.0000 170.6663 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 0 M 8.30 4.46 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 V 7.92 4.26 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.29 4.44 0.00 1.00 0.75 0.62 -0.45 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 3 S 8.61 4.54 0.00 4.06 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 4 E 8.80 4.31 0.00 2.20 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 2.43 2.51 0.00 5 G 8.08 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 6 E 8.09 3.93 0.00 1.93 1.71 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 2.21 2.25 0.00 7 W 8.03 4.32 0.00 3.60 3.20 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 0.00 0.00 0.00 0.00 8 Q 8.51 4.14 0.00 2.40 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.67 0.00 9 L 7.91 4.09 0.00 1.89 1.75 0.89 0.65 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 10 V 7.87 3.75 2.43 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 1.18 0.00 0.00 0.93 0.00 0.00 11 L 8.66 4.30 0.00 1.82 1.82 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.52 4.25 0.00 3.42 3.55 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.81 3.63 2.42 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 1.03 0.00 0.00 0.86 0.00 0.00 14 W 8.53 3.96 0.00 3.65 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 15 A 7.91 3.98 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 16 K 7.30 3.95 0.00 1.41 1.67 0.00 1.64 0.00 0.00 1.48 0.00 0.00 2.70 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.45 7.81 17 V 7.14 2.85 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 -0.06 0.00 0.00 0.44 0.00 0.00 18 E 7.63 3.88 0.00 1.98 1.91 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 2.21 2.05 0.00 19 A 7.49 4.21 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 20 D 7.89 4.66 0.00 2.70 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 3.45 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 1.07 0.00 0.00 0.83 0.00 0.00 22 A 7.99 4.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.20 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.27 4.16 0.00 3.11 3.24 0.00 5.83 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 25 G 8.37 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 26 Q 8.07 3.91 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 27 D 7.91 4.30 0.00 2.76 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 28 I 7.75 3.62 1.83 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.60 0.76 0.00 0.00 29 H 7.87 3.56 0.00 3.00 2.69 0.00 5.81 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 30 I 7.77 3.68 1.87 0.00 0.00 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 1.41 0.75 0.89 0.00 0.00 31 R 7.84 3.75 0.00 1.93 2.05 0.00 3.00 0.00 0.00 2.83 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 32 L 7.69 3.87 0.00 1.68 1.33 1.04 0.87 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 33 F 7.99 4.61 0.00 3.04 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 34 K 8.24 4.05 0.00 1.72 1.83 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.68 7.81 35 S 8.11 4.27 0.00 3.74 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 36 H 8.36 4.75 0.00 2.89 2.78 0.00 5.64 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 37 P 0.00 4.46 0.00 2.15 2.12 0.00 3.84 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 2.10 2.16 0.00 38 E 8.25 4.10 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 39 T 8.15 3.76 4.44 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 0.85 0.00 0.00 40 L 8.05 3.82 0.00 1.40 1.75 -0.03 0.70 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 41 E 7.97 4.15 0.00 2.25 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 2.39 2.40 0.00 42 K 8.10 4.43 0.00 1.91 1.69 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.75 1.95 7.81 43 F 8.11 4.63 0.00 3.38 3.26 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 44 D 8.54 4.37 0.00 2.63 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 45 R 7.84 3.76 0.00 1.44 0.92 0.00 3.04 0.00 0.00 3.04 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.30 0.00 46 F 7.51 4.95 0.00 2.96 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 47 K 8.28 3.85 0.00 1.78 1.95 0.00 1.82 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.73 7.81 48 H 8.19 4.39 0.00 3.28 3.43 0.00 5.54 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.57 4.02 0.00 1.53 1.60 0.89 0.69 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 50 K 9.21 4.27 0.00 1.71 1.84 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.57 7.81 51 T 7.44 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 52 E 8.62 3.90 0.00 2.05 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 2.36 2.36 0.00 53 A 7.92 3.98 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 54 E 7.88 3.95 0.00 2.12 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 0.00 2.35 2.35 0.00 55 M 8.15 4.18 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.60 0.00 56 K 8.23 3.98 0.00 1.82 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.64 7.81 57 A 7.73 4.35 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 58 S 7.46 4.23 0.00 3.90 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.88 4.01 0.00 2.14 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 2.39 2.47 0.00 60 D 8.15 4.47 0.00 3.09 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 61 L 8.03 3.24 0.00 1.19 1.58 0.14 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.92 3.87 0.00 1.85 1.92 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 K 8.18 3.98 0.00 2.09 1.89 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.66 7.81 64 L 8.15 4.13 0.00 1.93 1.76 0.81 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.10 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 66 V 7.71 3.61 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 1.13 0.00 0.00 0.96 0.00 0.00 67 T 7.97 3.90 4.50 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 0.00 0.00 0.00 1.29 0.00 0.00 68 V 8.13 3.67 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 1.21 0.00 0.00 1.17 0.00 0.00 69 L 8.24 4.25 0.00 1.80 1.86 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.37 3.98 4.46 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 1.26 0.00 0.00 71 A 8.15 4.00 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 72 L 8.25 3.74 0.00 1.69 1.64 0.24 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.53 3.33 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 0.00 74 A 7.73 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 75 I 7.42 3.77 1.84 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 1.53 0.64 0.87 0.00 0.00 76 L 7.76 3.95 0.00 1.33 1.54 -0.18 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.75 4.00 0.00 1.65 1.79 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.46 1.48 7.81 78 K 7.82 3.94 0.00 1.81 1.81 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.63 1.74 7.81 79 K 8.15 2.00 0.00 1.26 0.74 0.00 1.47 0.00 0.00 1.42 0.00 0.00 2.74 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.30 0.73 7.81 80 G 7.96 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 81 H 7.56 4.78 0.00 3.18 3.23 0.00 5.77 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 82 H 7.21 5.27 0.00 3.30 3.45 0.00 5.67 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 83 E 8.64 3.96 0.00 2.10 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 2.42 2.49 0.00 84 A 7.92 4.04 1.31 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 0.00 0.00 85 E 8.17 4.08 0.00 2.25 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 2.40 2.44 0.00 86 L 8.08 3.96 0.00 2.03 1.68 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.82 3.91 0.00 1.99 1.88 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.62 7.81 88 P 0.00 4.30 0.00 2.30 2.34 0.00 3.93 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 2.23 2.05 0.00 89 L 7.50 4.03 0.00 1.96 1.94 1.09 1.09 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 90 A 8.51 4.21 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.33 3.89 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 92 S 8.18 4.03 0.00 4.01 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 93 H 8.54 4.21 0.00 3.59 3.60 0.00 5.80 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 94 A 8.01 2.72 0.76 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 0.00 0.00 95 T 7.43 3.95 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 1.13 0.00 0.00 96 K 7.50 4.04 0.00 1.57 1.69 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.21 1.23 7.81 97 H 8.03 4.32 0.00 2.99 3.15 0.00 5.86 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 98 K 6.73 3.24 0.00 1.79 1.75 0.00 1.47 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 1.11 7.81 99 I 8.00 4.33 2.09 0.00 0.00 0.86 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 0.95 1.14 0.00 0.00 100 P 0.00 4.53 0.00 1.97 2.01 0.00 3.24 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 0.81 1.28 0.00 101 I 8.31 3.62 1.88 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.03 0.80 0.00 0.00 102 K 7.95 3.61 0.00 1.71 1.63 0.00 1.05 0.00 0.00 1.62 0.00 0.00 3.10 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 0.80 7.81 103 Y 7.91 4.23 0.00 3.23 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.91 4.24 0.00 1.86 1.77 0.69 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.91 4.06 0.00 2.06 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 0.00 2.39 2.47 0.00 106 F 7.93 4.52 0.00 3.22 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 0.00 107 I 8.06 3.87 1.99 0.00 0.00 0.86 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 1.57 1.08 0.00 0.00 108 S 8.05 4.20 0.00 4.21 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 0.00 109 E 8.43 4.06 0.00 2.33 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 2.44 2.70 0.00 110 A 8.03 4.02 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 0.00 111 I 8.11 3.68 2.10 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 1.59 1.01 1.03 0.00 0.00 112 I 7.93 3.84 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.01 1.13 0.00 0.00 113 H 8.45 4.13 0.00 3.37 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.89 3.58 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 1.00 0.00 0.00 0.98 0.00 0.00 115 L 7.80 3.79 0.00 0.46 0.67 0.78 0.65 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 0.00 116 H 7.80 4.38 0.00 3.48 3.60 0.00 5.95 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.79 4.12 0.00 3.86 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 0.00 118 R 7.97 4.12 0.00 1.61 1.59 0.00 3.17 0.00 0.00 2.98 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 119 H 8.34 5.04 0.00 3.17 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.33 0.00 2.21 2.27 0.00 3.75 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 121 G 8.16 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 0.00 122 N 8.23 5.03 0.00 2.80 2.92 0.00 0.00 6.67 7.21 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 0.00 123 F 7.91 4.92 0.00 3.02 3.02 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 0.00 124 G 7.71 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 0.00 125 A 8.43 3.88 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 0.00 126 D 7.96 4.18 0.00 2.65 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 0.00 127 A 7.75 3.94 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 0.00 128 Q 7.79 3.12 0.00 1.22 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 129 G 8.13 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 0.00 130 A 7.92 3.84 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 0.00 131 M 8.20 4.00 0.00 2.40 2.39 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 2.77 2.89 0.00 132 N 8.48 4.32 0.00 2.92 2.93 0.00 0.00 6.87 7.36 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 0.00 133 K 8.19 3.84 0.00 1.92 1.76 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.37 7.81 134 A 7.96 3.83 1.25 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 0.00 0.00 135 L 8.16 4.15 0.00 1.77 1.83 1.00 0.74 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 0.00 136 E 8.48 3.97 0.00 2.16 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 2.64 0.00 137 L 8.14 3.95 0.00 1.87 1.97 1.08 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.31 4.18 0.00 3.13 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 0.00 139 R 8.25 3.47 0.00 1.95 1.83 0.00 3.15 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.97 0.00 140 K 8.29 3.82 0.00 1.76 1.99 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.44 7.81 141 D 8.12 4.35 0.00 2.78 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 0.00 142 I 7.58 3.45 1.28 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.14 0.11 0.00 0.00 143 A 7.92 3.66 1.25 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 0.00 0.00 144 A 7.96 3.95 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 0.00 145 K 8.02 4.01 0.00 2.08 1.94 0.00 1.58 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.55 7.81 146 Y 8.42 4.40 0.00 3.32 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 0.00 147 K 8.12 3.94 0.00 1.88 1.93 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.92 4.05 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 2.36 2.53 0.00 149 L 7.89 4.36 0.00 1.80 1.71 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.06 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.89 4.25 0.00 2.63 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 0.00 152 Q 7.96 3.16 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 153 G 7.55 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 0.00 0.00 0.00