NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.1088 8.3301 115.4086 57.6280 64.7755 170.3529 2 A 3.2611 8.1214 131.1427 52.2647 15.8516 177.5984 3 D 4.4134 8.1155 123.5236 58.2133 41.8354 176.8142 4 H 4.3720 7.7024 115.2702 58.2811 28.6323 177.2061 5 E 4.1362 8.1440 121.4600 58.8600 29.3747 179.2425 6 R 3.9033 7.7565 117.9596 59.2401 30.1216 178.4968 7 E 3.9573 8.3125 118.9606 58.9534 29.3901 178.6553 8 A 3.9953 7.8290 120.0987 55.3527 18.4416 179.1640 9 Q 4.0612 8.4221 118.4300 59.1187 28.9674 178.2392 10 K 3.9577 8.3018 120.5925 59.1904 32.1043 178.6946 11 A 3.9707 7.7224 121.3779 55.1963 18.1837 179.4894 12 E 3.8823 7.9479 116.5782 59.3406 29.1466 179.1824 13 E 3.9495 7.8900 119.6420 58.8370 29.7403 178.1207 14 E 4.1405 8.0401 118.8250 58.1536 29.7191 178.1734 15 L 3.8575 7.4604 121.0050 58.2743 41.9560 178.8533 16 Q 4.0412 8.0515 117.4632 58.7657 28.6091 178.7273 17 K 3.9678 7.4821 120.9877 59.5348 32.2885 179.1307 18 V 3.6195 7.7295 118.3839 65.8186 31.4159 177.8202 19 L 4.0993 7.8802 120.1597 57.3196 41.3305 179.4943 20 E 4.1305 7.8819 119.6346 58.8435 29.5624 179.2693 21 E 4.0106 8.2318 118.4100 59.5393 29.6213 179.3975 22 A 4.1672 8.7542 121.2130 54.8727 18.3453 179.7805 23 S 4.4513 8.3781 113.1756 61.1482 63.0335 176.6677 24 K 4.1267 7.9193 123.3951 59.3338 32.0122 178.9241 25 K 4.0002 8.0105 117.9806 59.4363 31.9645 178.9698 26 A 4.0187 8.6247 121.5697 55.4439 18.3269 180.1539 27 V 3.6625 7.6597 117.4370 64.7832 31.3408 177.9563 28 E 4.0497 7.8373 118.4887 57.9628 29.9002 178.3032 29 A 4.0910 8.4489 121.6233 55.2697 18.5439 179.1862 30 E 4.0668 8.2841 118.0394 58.2417 29.5198 176.1145 31 R 4.1612 7.3781 118.9088 59.7680 29.3029 174.1809 32 G 3.4162 8.6232 118.0383 45.4487 0.0000 172.9179 33 A 4.4134 7.6568 123.8832 50.7930 19.1353 175.2814 34 P 4.3452 0.0000 0.0000 63.7107 32.1092 176.5583 35 G 3.8305 8.9072 109.3626 46.0818 0.0000 173.2848 36 A 4.0600 8.1262 121.3823 52.3356 18.9399 177.5128 37 A 4.2889 9.2910 124.5185 53.5041 21.0064 177.7064 38 L 4.0643 7.5204 118.1811 53.6786 40.2917 176.0112 39 I 4.1352 7.3396 111.9933 60.4705 39.0534 176.7155 40 S 4.6506 7.6003 116.1261 57.3660 64.5784 173.1425 41 Y 4.4738 8.3623 124.8287 59.7014 39.0818 175.3004 42 P 3.9182 0.0000 0.0000 63.8278 32.0539 176.3972 43 D 4.3628 7.6981 118.4374 55.5740 41.9086 178.3233 44 A 4.1631 7.9805 121.7323 55.0102 18.1394 179.4221 45 I 3.8404 7.7340 116.9611 64.0882 37.5929 178.0466 46 W 4.5554 8.4889 120.1112 59.4380 28.8384 178.3867 47 W 4.1622 8.4416 128.1214 60.4268 30.2071 177.8088 48 S 3.9665 8.5323 113.2436 61.1940 61.2806 176.0858 49 V 3.6690 8.0867 121.3765 66.1671 30.9193 177.7403 50 E 4.2834 7.6072 116.4490 58.1453 29.6330 178.8734 51 T 3.6271 7.2191 116.9164 66.2659 68.0696 176.6092 52 A 4.0055 7.9891 124.0750 54.9359 18.6973 178.5752 53 T 4.4753 7.8201 104.5163 61.0969 69.2147 174.9505 54 T 3.6094 7.6101 110.3647 63.8380 67.9894 172.1510 55 V 4.0835 7.7373 112.4059 64.1789 34.6812 176.5180 56 G 4.1578 8.1420 109.1032 44.9021 0.0000 172.2415 57 Y 3.5065 7.0029 120.8911 54.9886 38.4683 169.1033 58 G 4.9865 7.5473 124.8780 46.6366 0.0000 173.1839 59 D 4.6480 7.3865 119.5918 55.4025 42.2175 177.1486 60 R 4.7165 7.5277 119.5433 56.1741 33.3706 173.9550 61 Y 4.9440 7.3020 113.9863 56.5440 40.1065 172.1078 62 P 4.5934 0.0000 0.0000 62.3219 33.2525 176.0816 63 V 4.6129 7.9374 119.4933 62.7489 33.1399 175.4035 64 T 4.2195 8.5296 111.7668 66.3188 68.9665 176.1158 65 E 4.2714 8.0512 118.3250 56.9174 29.9509 177.0289 66 E 4.4730 7.4712 115.3855 57.7960 30.1774 175.5311 67 G 3.6454 8.2128 109.0177 45.9824 0.0000 173.6691 68 R 4.3965 7.9853 121.1945 58.0995 30.4734 176.9146 69 K 4.2233 7.9642 117.3166 59.0732 31.8735 179.0436 70 V 3.5926 8.1815 118.9426 65.8865 31.7466 177.2373 71 A 4.3998 8.3127 120.5266 55.5328 18.3061 179.2798 72 E 3.9159 8.3415 117.6497 59.3926 29.6529 178.7573 73 Q 3.9919 8.3005 119.8215 59.0846 29.0741 178.4378 74 V 3.6119 7.6618 119.5207 66.0001 31.5295 177.9558 75 M 3.9786 7.9254 117.9987 58.4480 31.9529 178.5961 76 K 3.9988 8.1291 119.3851 59.1337 32.2160 178.7251 77 A 4.0267 8.1045 121.5906 54.9721 18.3110 179.8409 78 G 3.3991 7.8736 105.5428 47.3194 0.0000 175.9581 79 I 3.8164 7.7170 122.4831 64.3358 37.0467 178.5274 80 E 4.1643 8.1437 119.2845 59.2364 28.9914 179.9132 81 V 3.5598 7.2027 111.6448 64.3623 31.8523 178.3364 82 F 4.6552 7.9308 117.3530 60.4469 38.7076 177.7254 83 A 4.1607 8.7831 120.6062 54.6110 18.0699 179.3956 84 L 3.9715 7.7086 119.4241 58.1109 42.2409 179.0932 85 V 3.6868 7.6938 117.6667 65.6285 31.3869 177.6976 86 T 4.0306 7.7503 114.8354 65.7960 67.9048 175.7063 87 A 3.9634 8.0253 122.7847 55.2907 18.8514 179.0581 88 A 3.9822 7.9003 117.8832 55.2349 18.6391 179.7266 89 L 3.9629 7.9123 117.0427 57.8387 41.5572 179.2478 90 A 4.3770 8.1892 118.8134 54.2653 18.6350 179.2191 91 T 3.8921 7.7060 114.2812 65.9944 68.3248 175.7939 92 D 4.5732 7.8594 118.8840 55.2421 41.4370 177.7861 93 F 4.4863 8.1137 115.9945 59.4721 38.3214 177.6783 94 V 3.1859 7.2871 118.9419 65.1835 31.2459 177.8560 95 R 4.0567 7.8041 117.1254 58.0330 29.8340 178.3526 96 R 4.3392 7.6608 117.1553 57.8329 29.4471 178.4660 97 E 3.8770 8.0846 121.0314 59.4572 29.6949 178.4500 98 E 3.9513 8.0594 118.1771 59.0976 29.1686 178.7329 99 E 3.8819 8.1688 119.5531 59.3920 29.5183 178.9267 100 R 3.8925 7.9442 117.4938 59.4327 30.2062 178.1468 101 R 4.0792 7.9635 117.6970 57.2339 30.1625 177.4120 102 G 4.0007 9.1090 105.9857 44.9695 0.0000 172.9801 103 H 4.2602 7.6381 119.8332 56.2330 27.8504 173.8632 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 S 8.33 4.11 0.00 3.98 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 2 A 8.12 3.26 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 3 D 8.12 4.41 0.00 2.65 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 4 H 7.70 4.37 0.00 3.41 3.57 0.00 5.64 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 5 E 8.14 4.14 0.00 2.27 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 2.35 2.42 0.00 6 R 7.76 3.90 0.00 2.02 1.97 0.00 3.11 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 7 E 8.31 3.96 0.00 2.06 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 2.33 0.00 8 A 7.83 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 9 Q 8.42 4.06 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 10 K 8.30 3.96 0.00 1.97 1.99 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.60 7.81 11 A 7.72 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.95 3.88 0.00 2.18 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 2.46 2.39 0.00 13 E 7.89 3.95 0.00 2.00 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 2.31 2.32 0.00 14 E 8.04 4.14 0.00 2.03 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 2.26 2.29 0.00 15 L 7.46 3.86 0.00 1.52 1.70 0.76 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.05 4.04 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.71 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 17 K 7.48 3.97 0.00 1.91 1.99 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 18 V 7.73 3.62 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 0.97 0.00 0.00 0.99 0.00 0.00 19 L 7.88 4.10 0.00 1.97 1.78 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.88 4.13 0.00 2.14 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 2.37 2.42 0.00 21 E 8.23 4.01 0.00 2.17 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 2.51 2.49 0.00 22 A 8.75 4.17 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 23 S 8.38 4.45 0.00 4.20 4.37 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 24 K 7.92 4.13 0.00 1.88 2.13 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.66 7.81 25 K 8.01 4.00 0.00 2.09 1.88 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.72 7.81 26 A 8.62 4.02 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 27 V 7.66 3.66 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 0.92 0.00 0.00 0.97 0.00 0.00 28 E 7.84 4.05 0.00 2.01 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 2.29 2.28 0.00 29 A 8.45 4.09 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 30 E 8.28 4.07 0.00 2.00 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 0.00 2.22 2.26 0.00 31 R 7.38 4.16 0.00 1.94 1.83 0.00 3.31 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 32 G 8.62 3.42 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 0.00 33 A 7.66 4.41 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 34 P 0.00 4.35 0.00 2.20 2.07 0.00 3.84 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 2.00 1.97 0.00 35 G 8.91 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 0.00 0.00 0.00 36 A 8.13 4.06 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 37 A 9.29 4.29 0.40 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 38 L 7.52 4.06 0.00 1.00 1.21 -0.23 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.34 4.14 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.72 0.84 0.00 0.00 40 S 7.60 4.65 0.00 4.00 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 41 Y 8.36 4.47 0.00 2.96 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 3.92 0.00 1.92 1.80 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.86 0.00 43 D 7.70 4.36 0.00 2.79 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 4.16 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 45 I 7.73 3.84 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.69 0.81 0.00 0.00 46 W 8.49 4.56 0.00 3.56 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 W 8.44 4.16 0.00 3.49 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 48 S 8.53 3.97 0.00 4.34 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 49 V 8.09 3.67 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 0.92 0.00 0.00 1.04 0.00 0.00 50 E 7.61 4.28 0.00 2.25 2.11 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 2.39 1.96 0.00 51 T 7.22 3.63 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 0.90 0.00 0.00 52 A 7.99 4.01 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 53 T 7.82 4.48 4.22 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 1.26 0.00 0.00 54 T 7.61 3.61 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 1.29 0.00 0.00 55 V 7.74 4.08 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 0.66 0.00 0.00 0.99 0.00 0.00 56 G 8.14 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 0.00 0.00 0.00 57 Y 7.00 3.51 0.00 3.18 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 58 G 7.55 4.99 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 0.00 0.00 0.00 59 D 7.39 4.65 0.00 2.95 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 60 R 7.53 4.72 0.00 1.45 1.36 0.00 3.23 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.59 0.00 61 Y 7.30 4.94 0.00 3.07 2.97 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 62 P 0.00 4.59 0.00 2.28 2.15 0.00 4.02 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 63 V 7.94 4.61 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.21 0.00 0.00 64 T 8.53 4.22 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 1.23 0.00 0.00 65 E 8.05 4.27 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 66 E 7.47 4.47 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 67 G 8.21 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.99 4.40 0.00 1.94 1.98 0.00 3.25 0.00 0.00 3.43 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.82 0.00 69 K 7.96 4.22 0.00 1.87 1.87 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.52 7.81 70 V 8.18 3.59 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.03 0.00 0.00 71 A 8.31 4.40 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 0.00 0.00 0.00 0.00 0.00 72 E 8.34 3.92 0.00 2.16 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 2.33 2.49 0.00 73 Q 8.30 3.99 0.00 2.36 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 74 V 7.66 3.61 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 1.02 0.00 0.00 1.10 0.00 0.00 75 M 7.93 3.98 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.56 0.00 76 K 8.13 4.00 0.00 1.84 1.80 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 77 A 8.10 4.03 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 78 G 7.87 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 0.00 0.00 0.00 79 I 7.72 3.82 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.76 0.94 0.00 0.00 80 E 8.14 4.16 0.00 1.99 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 2.32 2.52 0.00 81 V 7.20 3.56 1.85 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 0.77 0.00 0.00 0.26 0.00 0.00 82 F 7.93 4.66 0.00 3.12 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 83 A 8.78 4.16 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 84 L 7.71 3.97 0.00 1.87 1.87 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.69 3.69 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 1.02 0.00 0.00 1.15 0.00 0.00 86 T 7.75 4.03 4.35 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 1.24 0.00 0.00 87 A 8.03 3.96 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 88 A 7.90 3.98 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 89 L 7.91 3.96 0.00 1.77 1.75 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.19 4.38 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 91 T 7.71 3.89 4.17 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 1.04 0.00 0.00 92 D 7.86 4.57 0.00 2.80 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 93 F 8.11 4.49 0.00 3.22 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 94 V 7.29 3.19 1.82 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 0.74 0.00 0.00 -0.25 0.00 0.00 95 R 7.80 4.06 0.00 1.86 1.93 0.00 3.17 0.00 0.00 3.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 96 R 7.66 4.34 0.00 2.22 2.24 0.00 3.10 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.52 0.00 97 E 8.08 3.88 0.00 2.04 1.93 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 2.28 2.33 0.00 98 E 8.06 3.95 0.00 2.21 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 2.37 2.38 0.00 99 E 8.17 3.88 0.00 2.18 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 2.31 2.32 0.00 100 R 7.94 3.89 0.00 1.98 2.15 0.00 3.48 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 101 R 7.96 4.08 0.00 1.97 2.14 0.00 3.30 0.00 0.00 3.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.59 0.00 102 G 9.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.64 4.26 0.00 3.21 3.19 0.00 5.56 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