NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6566 8.4249 118.1210 52.7192 39.9806 173.8864 3 T 3.3729 8.3682 117.2821 63.1216 68.5781 172.1123 4 K 4.3412 8.9691 129.3025 54.5565 33.9964 174.7128 5 Y 4.5425 8.5542 125.2311 57.3330 38.9859 176.2592 6 N 4.7029 8.6147 121.0749 52.3828 39.7508 176.1707 7 K 3.8065 8.6349 122.9548 60.0188 32.4285 179.0708 8 E 3.9400 8.2685 118.2545 58.9736 29.3751 178.8965 9 F 4.1944 8.4792 120.8830 61.4396 39.4453 177.1601 10 L 3.6085 7.9394 118.4948 57.4857 41.3884 179.4739 11 L 3.6611 7.5363 118.9249 57.8677 41.6283 178.8523 12 Y 3.8825 7.7526 118.9922 60.7576 38.7759 178.0659 13 L 3.9977 8.1963 121.3606 57.9758 41.9960 178.7374 14 A 4.1898 8.2654 121.3373 54.9808 18.3119 179.8990 15 G 3.4083 7.8569 103.8730 47.8354 0.0000 175.7893 16 F 3.7367 8.0096 123.2106 60.7225 39.3593 177.5076 17 V 3.6579 8.4735 118.3193 66.2766 31.2463 177.7017 18 D 4.4916 8.2511 117.6942 57.7734 40.6233 178.4995 19 G 3.5584 7.7305 105.8963 45.8375 0.0000 174.3800 20 D 4.7806 8.6279 119.0263 52.5007 41.6417 176.4480 21 G 4.2745 7.5446 107.9230 45.2716 0.0000 173.2826 22 S 4.6881 8.7182 113.3136 57.0658 66.2916 173.0059 23 I 4.8964 8.5542 127.8598 59.9482 38.7725 174.7755 24 I 4.6278 9.0302 128.8356 59.2284 39.8954 174.7436 25 A 5.2227 8.6924 127.8865 50.2679 21.4258 175.1467 26 Q 4.6622 9.3423 120.7899 54.0485 33.5717 174.5448 27 I 4.7413 8.3789 121.9978 59.7367 39.5751 174.4426 28 E 4.7265 9.1271 129.8242 53.5127 31.4595 173.3066 29 P 4.7771 0.0000 0.0000 62.9858 32.8185 175.4996 30 N 4.5096 8.8287 118.4035 53.3056 42.4537 175.0944 31 Q 4.2534 9.2566 125.8673 57.6633 29.0884 176.8450 32 S 4.4654 8.5962 112.1530 58.3764 63.9209 173.8902 33 Y 4.3210 7.7668 119.5181 56.6164 39.0840 176.3061 34 K 3.6531 8.6512 123.6443 59.5491 32.0397 177.7387 35 F 4.9652 7.7173 115.2609 56.9198 39.0153 176.6834 36 K 4.1424 8.7230 118.4851 57.4536 30.3691 174.3787 37 H 5.5319 7.9181 114.1803 54.3250 33.2251 172.7682 38 R 4.6912 8.5000 115.9934 54.3554 32.9163 174.1619 39 L 4.9862 8.5064 119.9155 53.7180 43.3516 175.9930 40 K 4.6350 9.0448 124.0635 54.5584 35.2376 174.5573 41 L 5.3302 8.7134 126.6313 53.3206 44.5929 176.0227 42 T 4.8454 9.1535 120.0663 61.8005 72.9049 172.5088 43 F 5.2924 9.2833 129.0029 56.8098 41.2112 174.3380 44 K 4.7816 8.6159 127.0243 54.4403 35.9402 174.7290 45 V 4.5374 8.4747 126.1300 61.4550 34.1558 174.1958 46 T 5.0580 8.1562 124.6348 62.4710 70.3441 173.9388 47 Q 4.5870 8.9939 124.6156 54.4456 33.3683 173.5535 48 K 4.2256 8.7797 125.1730 57.2095 32.7992 177.9603 49 T 4.2118 8.6302 122.5379 66.4424 68.5657 176.5999 50 Q 4.1761 8.1795 118.2367 58.3183 28.8564 177.0984 51 R 4.6524 8.3603 118.3447 55.8640 30.6325 178.1600 52 R 3.9689 8.3274 119.6195 58.9715 28.9842 178.3096 53 W 4.4645 8.3415 117.2693 59.5180 28.0110 177.9238 54 F 3.0783 6.9814 121.4663 60.7406 38.6793 177.1710 55 L 3.9851 7.6197 118.1632 57.5237 41.5168 178.8791 56 D 4.3789 8.5662 119.4149 57.3849 40.7613 178.5414 57 K 3.8132 8.3014 120.3197 59.5386 32.0529 178.2663 58 L 3.6601 7.3868 120.0313 58.0241 41.8112 178.9268 59 V 3.7063 7.5884 118.0192 66.3318 31.1916 177.5326 60 D 4.2980 7.5649 115.7788 57.3701 41.1370 177.7583 61 E 3.9316 8.0699 118.2994 59.3658 29.5623 179.0448 62 I 3.8294 8.0076 119.3247 62.2737 37.1807 177.5672 63 G 4.0104 9.9067 106.7022 45.2227 0.0000 172.6325 64 V 4.3287 7.4647 117.1258 60.7068 34.1130 173.2159 65 G 3.7646 10.0951 106.4432 44.9925 0.0000 170.9655 66 Y 4.9038 7.3988 115.6010 56.0309 41.9456 173.5947 67 V 4.8888 8.5732 118.5705 61.0683 34.1941 174.4147 68 R 4.7416 8.8556 127.7404 54.4771 32.7591 173.7895 69 D 4.7926 8.8679 126.3972 53.4449 42.1675 175.9042 70 E 4.7049 9.1577 126.8695 55.9825 31.8905 178.6557 71 G 3.7907 8.9138 112.5435 46.2175 0.0000 175.9544 72 S 4.2434 9.3086 119.3048 60.2607 63.6109 172.6645 73 V 4.9297 7.5585 111.5027 59.5205 35.7677 174.7999 74 S 5.3029 9.4761 118.1648 56.9666 67.0404 172.9373 75 N 5.4012 8.9219 117.6898 51.7534 42.7333 173.5416 76 Y 4.5883 8.8836 125.1862 57.4666 40.4758 174.1822 77 I 4.6365 7.4033 126.4235 59.0973 41.3738 174.0491 78 L 4.9307 8.7713 128.3137 53.4257 44.3436 176.6739 79 S 4.7652 8.8356 118.3474 56.7732 64.8872 174.6604 80 E 4.0828 8.2343 122.2912 56.5109 30.1907 177.2939 81 I 3.7598 8.4540 125.2494 64.3188 37.4111 178.3486 82 K 3.9760 8.0528 120.0583 59.1270 32.1416 176.9440 83 P 4.3728 0.0000 0.0000 65.6190 31.1894 177.8362 84 L 4.0743 8.1512 120.2518 58.1692 41.9563 179.0391 85 R 3.9106 8.3613 118.6925 59.4322 29.5212 177.9734 86 N 4.3562 8.3927 116.8869 56.6350 38.9942 176.6770 87 F 4.4818 8.7752 122.4151 61.5505 39.5299 177.2432 88 L 3.5616 8.2628 118.8859 57.7238 41.1012 179.4315 89 T 3.8347 7.6641 115.1324 66.9823 68.4847 176.2129 90 Q 4.2012 7.5606 117.6608 58.4982 29.0143 177.8707 91 L 4.1297 7.5931 121.4304 57.4320 41.9542 178.2249 92 Q 3.8322 8.2030 120.2235 59.1385 28.6578 177.4764 93 P 4.0440 0.0000 0.0000 64.6711 31.3326 177.5405 94 F 4.6063 7.9036 114.6790 56.8369 39.9982 176.3239 95 L 4.2749 7.1497 119.1798 54.6226 42.0643 176.8395 96 K 4.4601 9.7218 121.1758 57.0437 34.4578 177.5134 97 L 4.3766 8.3384 116.6715 55.4605 42.6049 177.3369 98 K 5.1955 7.9883 115.8257 55.1806 32.9702 177.7525 99 Q 3.9119 8.1450 122.6542 59.3352 28.8265 178.3889 100 K 3.9339 7.9481 118.9975 59.3819 32.2527 179.2194 101 Q 3.9461 8.0399 117.6204 58.8512 28.7510 178.1962 102 A 4.0159 8.1167 121.8813 55.6736 18.3222 179.5685 103 N 4.2926 8.3599 114.7678 56.2766 38.4444 177.6702 104 L 3.8506 8.2030 120.8966 57.7278 41.5939 179.7521 105 V 3.6487 7.9511 118.1627 65.9514 31.5106 178.1209 106 L 4.0012 7.9590 118.8235 57.5845 41.2280 179.3772 107 K 3.8772 7.9922 118.6672 59.4799 32.4046 178.5817 108 I 4.2735 8.1935 120.3104 64.9103 37.1750 178.3116 109 T 3.9281 8.2840 116.8660 66.9654 68.1291 176.1969 110 E 4.0443 8.2100 119.4916 58.8742 29.8563 177.9288 111 Q 4.4692 8.1304 116.2259 56.1071 29.2258 177.5249 112 L 4.1441 7.7339 121.3838 57.3943 41.2190 177.1535 113 P 4.2639 0.0000 0.0000 65.8649 31.2828 178.4733 114 S 4.3617 7.6191 107.9821 59.7231 63.6746 175.1859 115 A 4.2058 8.7695 128.3922 55.7439 18.3484 178.9485 116 K 4.7082 7.7517 118.1186 55.2194 31.9444 180.5008 117 E 4.9040 8.2391 112.6423 56.7931 34.5893 177.3812 118 S 4.7895 8.0300 110.7168 57.4354 65.9753 172.9536 119 P 4.0242 0.0000 0.0000 63.4819 31.9591 175.4750 120 D 5.0034 8.6433 121.8076 55.1430 39.4707 176.5356 121 K 3.9959 7.5154 117.7534 57.9677 32.6493 178.1317 122 F 4.0416 8.0463 121.2846 61.1709 39.3015 176.8400 123 L 3.7099 7.7419 119.4219 57.8774 41.6098 178.4270 124 E 3.6230 7.2427 118.5879 59.0981 29.8176 178.6517 125 V 2.3088 6.9495 118.1093 65.6620 31.3807 177.7280 126 C 3.8603 7.4233 116.7015 62.7920 27.9475 176.1166 127 T 4.1717 7.2916 112.0042 63.6346 68.3556 176.7809 128 W 4.4607 7.9581 122.4155 59.3356 29.1057 178.5218 129 V 3.6142 7.8436 117.9457 66.1353 30.5657 177.2840 130 D 4.4207 8.2237 118.6793 57.9192 40.7992 179.2430 131 Q 4.1071 8.0782 117.8261 58.9614 28.7266 179.0562 132 I 3.7180 7.7515 120.2529 64.3642 36.9637 178.2658 133 A 4.0218 7.9550 120.1599 55.1668 18.1897 179.2554 134 A 4.0867 7.7926 118.6401 55.2533 18.5048 179.5770 135 L 4.1216 7.5398 116.2958 56.7696 41.9051 177.4958 136 N 4.6824 7.3916 115.4815 52.6190 39.8804 175.5546 137 D 4.6368 8.1337 120.0048 53.4097 39.3522 176.6601 138 S 4.3142 7.6430 114.2641 58.2052 63.4686 173.6760 139 K 4.6432 8.5739 124.0310 55.9782 34.3885 176.8672 140 T 4.6248 7.7824 107.0192 60.9355 69.3412 173.7294 141 R 4.1238 8.0228 121.5991 56.7816 30.9143 174.9672 142 K 4.3299 8.7151 123.5555 57.8743 34.1724 176.0503 143 T 4.4616 7.8288 114.6906 62.2661 69.7907 174.4204 144 T 4.7018 8.1647 116.6028 58.9597 73.2757 174.6549 145 S 4.0142 8.5813 115.4450 62.1392 62.2605 176.6581 146 E 4.0212 7.8641 120.3630 59.0722 29.2260 178.9644 147 T 4.0072 7.8287 114.9552 66.7282 68.7979 176.1934 148 V 3.5842 7.5780 119.6018 65.4462 32.3667 176.8394 149 R 4.4460 7.5678 117.8167 56.4437 26.3024 176.4534 150 A 4.6238 8.8779 121.0360 51.8789 20.4793 178.5432 151 V 3.8312 7.8318 114.0450 63.9004 31.4873 175.1555 152 L 4.7030 7.3753 119.3638 53.8235 43.0342 176.2525 153 D 4.2986 8.4215 122.2478 54.7309 41.8977 175.0908 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 N 8.42 4.66 0.00 2.70 2.89 0.00 0.00 6.95 6.65 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 3 T 8.37 3.37 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 4 K 8.97 4.34 0.00 1.58 1.63 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.48 7.81 5 Y 8.55 4.54 0.00 3.27 3.17 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 0.00 0.00 0.00 6 N 8.61 4.70 0.00 3.04 2.98 0.00 0.00 5.79 6.80 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 7 K 8.63 3.81 0.00 1.90 1.87 0.00 1.80 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.44 1.56 7.81 8 E 8.27 3.94 0.00 2.24 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 2.41 2.38 0.00 9 F 8.48 4.19 0.00 3.07 3.28 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 10 L 7.94 3.61 0.00 1.27 1.33 1.20 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.54 3.66 0.00 1.68 1.65 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 7.75 3.88 0.00 3.14 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 13 L 8.20 4.00 0.00 1.23 1.26 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.27 4.19 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 15 G 7.86 3.41 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 0.00 16 F 8.01 3.74 0.00 2.81 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 17 V 8.47 3.66 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 1.27 0.00 0.00 1.37 0.00 0.00 18 D 8.25 4.49 0.00 2.83 2.69 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 19 G 7.73 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 20 D 8.63 4.78 0.00 2.05 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 21 G 7.54 4.27 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 0.00 22 S 8.72 4.69 0.00 3.81 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 23 I 8.55 4.90 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.96 1.01 0.00 0.00 24 I 9.03 4.63 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.83 0.97 0.00 0.00 25 A 8.69 5.22 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 26 Q 9.34 4.66 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 27 I 8.38 4.74 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.55 0.94 0.00 0.00 28 E 9.13 4.73 0.00 1.98 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 2.19 2.23 0.00 29 P 0.00 4.78 0.00 2.10 2.02 0.00 3.87 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 2.00 2.00 0.00 30 N 8.83 4.51 0.00 2.81 2.90 0.00 0.00 7.00 6.23 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 31 Q 9.26 4.25 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 32 S 8.60 4.47 0.00 3.81 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 33 Y 7.77 4.32 0.00 3.11 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 34 K 8.65 3.65 0.00 1.35 0.95 0.00 1.54 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.06 1.24 7.81 35 F 7.72 4.97 0.00 2.40 2.54 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 36 K 8.72 4.14 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.58 7.81 37 H 7.92 5.53 0.00 3.23 3.35 0.00 5.79 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.50 4.69 0.00 1.55 0.81 0.00 2.86 0.00 0.00 3.01 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 39 L 8.51 4.99 0.00 1.61 1.65 0.84 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 40 K 9.04 4.64 0.00 1.78 1.62 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.40 7.81 41 L 8.71 5.33 0.00 1.57 1.61 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 42 T 9.15 4.85 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 1.18 0.00 0.00 43 F 9.28 5.29 0.00 3.25 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 44 K 8.62 4.78 0.00 1.68 1.43 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.71 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.21 1.24 7.81 45 V 8.47 4.54 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 1.20 0.00 0.00 0.83 0.00 0.00 46 T 8.16 5.06 4.20 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 1.24 0.00 0.00 47 Q 8.99 4.59 0.00 2.15 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 2.08 2.27 0.00 48 K 8.78 4.23 0.00 1.81 1.68 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.49 7.81 49 T 8.63 4.21 4.27 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 1.31 0.00 0.00 50 Q 8.18 4.18 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.43 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 51 R 8.36 4.65 0.00 1.85 1.64 0.00 3.02 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 52 R 8.33 3.97 0.00 2.05 2.44 0.00 2.85 0.00 0.00 3.41 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 53 W 8.34 4.46 0.00 3.65 3.44 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 54 F 6.98 3.08 0.00 1.56 2.54 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 55 L 7.62 3.99 0.00 1.90 1.78 0.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.57 4.38 0.00 2.91 2.79 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 57 K 8.30 3.81 0.00 2.02 1.70 0.00 1.77 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.48 7.81 58 L 7.39 3.66 0.00 1.65 1.34 0.71 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.59 3.71 2.31 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 1.20 0.00 0.00 1.21 0.00 0.00 60 D 7.56 4.30 0.00 2.69 2.69 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 61 E 8.07 3.93 0.00 1.78 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 2.08 2.30 0.00 62 I 8.01 3.83 1.78 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.41 0.63 0.00 0.00 63 G 9.91 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.46 4.33 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 0.78 0.00 0.00 1.01 0.00 0.00 65 G 10.10 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.40 4.90 0.00 3.11 3.06 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 0.00 0.00 0.00 67 V 8.57 4.89 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 0.93 0.00 0.00 1.06 0.00 0.00 68 R 8.86 4.74 0.00 2.15 1.79 0.00 3.25 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 69 D 8.87 4.79 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 70 E 9.16 4.70 0.00 2.10 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 2.25 2.23 0.00 71 G 8.91 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 72 S 9.31 4.24 0.00 3.87 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.56 4.93 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 0.74 0.00 0.00 0.93 0.00 0.00 74 S 9.48 5.30 0.00 3.71 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.92 5.40 0.00 2.61 2.56 0.00 0.00 7.06 7.58 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 76 Y 8.88 4.59 0.00 3.06 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 77 I 7.40 4.64 0.56 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.61 0.68 0.00 0.00 78 L 8.77 4.93 0.00 1.72 1.71 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.84 4.77 0.00 4.07 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 80 E 8.23 4.08 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 81 I 8.45 3.76 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.00 0.97 0.00 0.00 82 K 8.05 3.98 0.00 1.91 1.85 0.00 1.65 0.00 0.00 1.91 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.61 7.81 83 P 0.00 4.37 0.00 2.40 2.38 0.00 3.87 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 2.32 2.09 0.00 84 L 8.15 4.07 0.00 2.00 2.07 1.11 0.71 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 85 R 8.36 3.91 0.00 2.05 2.12 0.00 3.19 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 1.67 1.67 0.00 86 N 8.39 4.36 0.00 2.96 3.09 0.00 0.00 6.90 7.25 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 87 F 8.78 4.48 0.00 3.20 3.13 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 88 L 8.26 3.56 0.00 1.68 1.60 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.66 3.83 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 1.21 0.00 0.00 90 Q 7.56 4.20 0.00 2.36 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.98 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 91 L 7.59 4.13 0.00 0.80 1.03 0.78 0.38 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 92 Q 8.20 3.83 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.56 0.00 0.00 0.00 0.00 0.00 2.30 2.83 0.00 93 P 0.00 4.04 0.00 1.02 1.68 0.00 3.77 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 1.78 1.99 0.00 94 F 7.90 4.61 0.00 3.10 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 95 L 7.15 4.27 0.00 1.69 1.65 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 96 K 9.72 4.46 0.00 1.75 1.79 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.37 7.81 97 L 8.34 4.38 0.00 1.73 1.69 0.94 0.79 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 98 K 7.99 5.20 0.00 1.84 1.79 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.35 1.29 7.81 99 Q 8.15 3.91 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.09 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 100 K 7.95 3.93 0.00 1.81 1.81 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.50 7.81 101 Q 8.04 3.95 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 102 A 8.12 4.02 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 0.00 103 N 8.36 4.29 0.00 2.67 2.79 0.00 0.00 7.11 7.08 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 0.00 104 L 8.20 3.85 0.00 1.80 1.73 0.90 0.79 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 0.00 105 V 7.95 3.65 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 1.19 0.00 0.00 1.02 0.00 0.00 106 L 7.96 4.00 0.00 1.89 1.69 0.88 0.76 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 0.00 107 K 7.99 3.88 0.00 1.63 1.77 0.00 1.20 0.00 0.00 0.62 0.00 0.00 2.13 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.61 1.07 7.81 108 I 8.19 4.27 2.16 0.00 0.00 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 1.88 1.07 1.01 0.00 0.00 109 T 8.28 3.93 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 1.27 0.00 0.00 110 E 8.21 4.04 0.00 2.02 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 2.40 2.40 0.00 111 Q 8.13 4.47 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.54 0.00 0.00 0.00 0.00 0.00 2.87 3.10 0.00 112 L 7.73 4.14 0.00 1.89 1.81 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.26 0.00 2.22 2.16 0.00 3.72 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 114 S 7.62 4.36 0.00 4.07 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 0.00 115 A 8.77 4.21 1.51 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 0.00 0.00 116 K 7.75 4.71 0.00 1.82 1.69 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.25 7.81 117 E 8.24 4.90 0.00 1.93 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.87 0.00 118 S 8.03 4.79 0.00 4.08 3.99 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 0.00 0.00 0.00 119 P 0.00 4.02 0.00 1.95 1.79 0.00 3.78 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 120 D 8.64 5.00 0.00 2.85 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 0.00 121 K 7.52 4.00 0.00 1.82 1.78 0.00 1.42 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.49 7.81 122 F 8.05 4.04 0.00 3.28 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 0.00 123 L 7.74 3.71 0.00 1.59 1.50 0.83 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 124 E 7.24 3.62 0.00 1.92 1.70 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 1.65 2.16 0.00 125 V 6.95 2.31 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.47 0.00 0.00 126 C 7.42 3.86 0.00 2.86 2.72 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 0.00 127 T 7.29 4.17 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 1.19 0.00 0.00 128 W 7.96 4.46 0.00 3.51 3.13 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 0.00 129 V 7.84 3.61 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 1.09 0.00 0.00 0.96 0.00 0.00 130 D 8.22 4.42 0.00 2.89 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.11 0.00 2.42 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 132 I 7.75 3.72 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.23 0.94 0.00 0.00 133 A 7.95 4.02 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 0.00 134 A 7.79 4.09 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 0.00 135 L 7.54 4.12 0.00 1.81 1.74 0.91 1.13 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 0.00 136 N 7.39 4.68 0.00 2.89 2.76 0.00 0.00 7.05 7.97 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 0.00 137 D 8.13 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 0.00 138 S 7.64 4.31 0.00 3.95 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 0.00 139 K 8.57 4.64 0.00 1.71 1.76 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.61 7.81 140 T 7.78 4.62 4.24 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 1.21 0.00 0.00 141 R 8.02 4.12 0.00 1.79 1.86 0.00 3.17 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 142 K 8.72 4.33 0.00 1.71 1.75 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.42 7.81 143 T 7.83 4.46 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 1.26 0.00 0.00 144 T 8.16 4.70 4.36 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 1.24 0.00 0.00 145 S 8.58 4.01 0.00 3.98 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 7.86 4.02 0.00 1.96 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 2.47 0.00 147 T 7.83 4.01 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 1.26 0.00 0.00 148 V 7.58 3.58 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 1.08 0.00 0.00 0.78 0.00 0.00 149 R 7.57 4.45 0.00 1.97 1.89 0.00 3.15 0.00 0.00 3.20 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 150 A 8.88 4.62 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 0.00 151 V 7.83 3.83 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 0.75 0.00 0.00 0.84 0.00 0.00 152 L 7.38 4.70 0.00 1.60 1.57 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 153 D 8.42 4.30 0.00 2.61 2.50 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 0.00