NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.8673 8.2833 119.2336 53.7512 40.8869 176.4542 2 F 4.2664 8.4903 116.4811 59.9759 39.0972 175.7446 3 N 4.4135 8.7261 117.5799 56.1805 39.4693 175.6414 4 R 4.2815 8.7818 117.8527 57.8075 30.5966 176.2760 5 F 4.3927 7.9337 117.2715 57.2208 39.4236 175.2721 6 T 3.9952 8.5579 115.4006 61.3353 69.5731 175.3965 7 Q 3.9508 8.6896 120.5017 59.3536 28.6400 179.4799 8 R 3.8969 7.9906 118.0733 59.2984 30.2555 178.8341 9 A 4.0793 8.1185 120.4508 55.0492 18.3088 179.8259 10 K 3.6633 8.2878 117.1738 59.4791 32.0714 179.4594 11 K 3.9403 8.3195 119.7672 59.3637 32.0742 178.5983 12 A 4.1713 8.1949 121.1028 55.3446 18.3287 179.7197 13 I 3.8179 7.7622 118.0557 64.6261 37.2051 178.3613 14 D 4.4698 8.5121 120.1796 57.5571 40.6232 178.9756 15 L 4.1090 8.4785 119.4400 57.3506 41.5357 179.4487 16 A 4.1598 8.1603 121.1226 55.1451 18.3721 179.6235 17 F 3.8189 8.4476 116.2378 60.7618 38.9699 177.5202 18 E 4.0275 8.3880 118.1107 59.7450 29.3028 179.7469 19 S 4.2051 8.5899 116.0361 60.9148 62.8721 176.4427 20 A 3.7439 7.8456 123.3158 55.1811 18.0900 179.7998 21 K 3.8922 8.0715 116.9722 59.7180 32.0064 179.8339 22 S 4.1836 8.4496 114.6679 61.0046 62.8522 175.7050 23 L 4.2780 7.8695 121.1339 54.3213 41.4502 177.7541 24 G 3.6330 7.8333 107.0589 47.1757 0.0000 172.3255 25 H 4.8847 8.0769 117.2912 54.0753 29.7763 175.0076 26 N 4.7257 8.6982 121.0091 53.5588 38.7450 174.3154 27 I 4.6247 7.4308 120.4685 59.4953 40.4017 175.1559 28 V 3.5881 8.9940 128.2786 62.4994 32.4200 175.4001 29 G 4.5982 8.6200 116.6197 44.8413 0.0000 173.2210 30 S 4.2936 8.7146 114.0153 61.4823 62.6926 176.2475 31 E 3.9197 8.0427 120.6960 59.5817 29.3079 178.7535 32 H 4.3030 7.9441 116.6134 58.3560 28.8002 177.6751 33 I 3.7121 7.6762 121.4440 64.2089 36.9799 177.9643 34 L 3.8737 8.1476 121.5163 58.2698 41.8631 178.9026 35 L 4.1019 8.0790 120.2630 57.9759 42.0436 179.0539 36 G 3.6909 8.5287 106.2009 47.7946 0.0000 175.5960 37 L 4.0215 7.8841 120.5185 57.4847 41.7145 179.1410 38 L 4.1135 8.0382 120.1981 58.2832 41.8532 179.2627 39 R 4.2748 8.2930 118.6436 58.4790 30.0010 178.2687 40 E 3.9418 8.0243 118.7204 57.2517 29.5828 176.7661 41 E 4.3359 7.8903 122.6004 56.4873 30.1388 175.0215 42 E 4.2052 8.0651 115.4375 58.0591 30.3805 177.4807 43 G 3.9236 8.5675 106.1920 43.6011 0.0000 174.4651 44 I 3.6815 8.2981 120.4095 64.4378 37.0163 178.5680 45 A 3.9204 8.1971 121.1869 55.1892 18.2496 179.6005 46 A 3.9699 7.9251 118.7670 55.1211 18.5010 179.9269 47 K 3.9541 8.0369 117.2201 59.4473 32.2646 179.7654 48 V 3.5771 8.1707 118.9569 66.0381 31.4840 178.0854 49 L 3.9486 7.9682 118.6704 57.9192 41.3852 179.7035 50 S 4.4925 8.1645 116.4044 61.1090 62.5475 176.8286 51 K 3.9918 8.0013 120.1265 59.1710 31.8153 178.7150 52 V 4.2102 7.4674 109.7652 61.1314 31.7367 176.8733 53 G 3.9715 8.1273 107.2920 45.0256 0.0000 174.3084 54 F 4.1676 8.6655 119.7102 57.2062 39.8912 174.7131 55 T 4.8195 8.2458 113.8354 59.1924 72.7318 174.7686 56 E 4.0191 8.8981 121.6578 59.9601 29.5479 179.7095 57 A 4.0243 8.0301 119.9550 55.1749 18.5041 178.8539 58 Y 3.9265 7.9954 117.8402 60.7809 38.8280 178.1670 59 L 3.7082 8.1528 121.2228 57.9921 42.2758 178.3423 60 E 3.9762 8.4470 119.6276 59.3879 29.4696 179.1447 61 G 3.5411 8.0041 105.7117 47.3859 0.0000 175.7504 62 K 3.7638 7.8651 121.6284 59.1224 32.2045 178.6424 63 I 3.8019 7.6015 119.4172 64.4439 37.2958 178.0866 64 V 3.8081 7.6949 118.7980 66.1344 31.0561 178.3255 65 D 4.5361 7.8318 113.7544 55.0552 40.4586 177.0445 *67 E 4.0610 8.0795 116.1512 54.8280 31.2145 176.6035 68 G 3.8523 8.1210 109.6448 44.9783 0.0000 172.9124 69 K 4.5563 8.3157 118.2609 55.4522 34.1648 175.8501 70 G 4.3620 8.5054 108.0347 43.8079 0.0000 172.1530 71 E 4.9765 8.4704 118.1831 53.5579 31.2819 174.9313 72 E 3.7811 8.6725 120.1673 56.5630 29.8626 178.2862 73 I 3.9839 8.3814 123.9816 63.0729 37.7284 175.0842 74 S 4.6375 7.5028 112.6329 56.9170 65.7059 173.0586 75 E 4.1904 8.6203 116.7945 58.1967 29.9663 176.7792 76 D 4.4039 7.4516 120.1005 54.6640 41.1422 175.5639 77 I 4.9442 8.4025 124.4929 59.4829 40.0024 175.1934 78 V 4.7419 8.2511 126.1344 59.4394 35.0873 174.9918 79 L 4.5593 8.5788 122.1268 54.4734 42.3837 177.2509 80 S 4.2982 8.8715 118.3636 57.7192 64.1329 173.5758 81 P 4.2676 0.0000 0.0000 65.7569 30.9503 178.9394 82 R 3.9205 7.9477 117.0011 59.5437 29.8652 178.5708 83 S 4.1624 8.2465 114.9637 61.6173 62.8261 176.8491 84 K 4.1432 8.1728 121.1883 59.4814 31.7859 179.2039 85 Q 4.0191 8.2470 119.8950 59.1400 28.9111 178.2968 86 I 3.7820 7.9259 120.9111 64.5517 36.9718 178.4637 87 L 4.2216 8.1525 118.8071 57.6145 41.4718 179.0054 88 E 4.1656 8.5093 119.4320 59.4418 29.4671 178.8591 89 L 4.0530 8.3660 118.1933 57.8071 41.9283 179.3902 90 S 4.7561 8.5431 114.7164 61.2005 62.8554 177.1185 91 G 3.5718 7.7609 108.0102 44.8397 0.0000 175.4144 *93 F 4.5084 8.1197 121.1717 57.0738 41.2045 177.5140 94 A 4.0328 8.0936 123.2608 55.2331 18.5647 179.5031 95 N 4.3324 8.5139 113.5781 56.4180 38.8507 177.8486 96 K 3.9548 7.9626 116.0770 59.2882 32.2018 177.9895 97 L 4.1737 8.3263 116.5800 54.5376 42.4547 176.4732 98 K 3.7946 7.4769 118.0191 57.6933 29.3953 174.9306 99 T 4.6453 8.1840 108.2733 59.3838 71.8137 174.9082 100 N 4.0628 8.6810 121.3510 55.9650 38.6212 174.7478 101 Y 5.0343 7.1589 112.3791 56.0061 41.8871 175.6219 102 I 3.7252 8.5171 123.2443 60.5047 38.3777 175.8577 103 G 4.5240 8.5314 114.9161 44.4077 0.0000 173.6361 104 T 4.0424 8.6351 109.7724 64.8448 68.3265 175.8752 105 E 3.8499 8.1740 119.8166 59.7827 29.4028 178.8806 106 H 4.0823 7.9894 116.7128 58.4327 28.7266 177.9278 107 I 3.8092 7.7040 121.3526 64.1024 37.0203 178.0121 108 L 3.8906 8.0269 121.3263 58.1521 41.8414 179.0776 109 L 3.6685 7.6844 118.7114 57.3964 41.2811 179.2436 110 A 4.2081 7.8617 120.7673 55.2494 18.3904 179.6309 111 I 3.6403 7.7914 118.1448 64.6743 37.0029 178.5798 112 I 3.6599 7.3444 119.0055 64.5395 37.0238 178.0058 113 Q 4.1686 8.2070 119.3072 59.0090 28.8920 177.3036 114 E 4.1136 8.5455 120.9981 58.9104 29.5441 178.8688 115 G 3.8770 8.0921 104.0100 45.3971 0.0000 173.1293 116 E 4.4830 7.6342 117.9674 55.6504 31.9972 176.4901 117 G 3.9925 7.6565 105.2595 43.8937 0.0000 173.6260 118 I 3.7586 8.2829 118.0650 63.7960 37.8107 178.1180 119 A 4.0041 8.0376 121.9897 55.3742 18.1312 179.3880 120 N 4.2743 8.0903 114.3489 56.2479 38.6720 177.6127 121 K 3.7255 7.9264 119.5148 59.4986 32.1685 179.4676 122 I 3.9722 8.2149 120.3584 64.3465 37.0050 178.4199 123 L 4.2323 8.2312 119.9877 57.9863 41.5110 179.4684 124 N 4.3035 8.3226 116.2584 56.7184 38.3427 177.0175 125 Y 4.5675 8.0410 116.7766 61.2227 38.0958 178.2123 126 A 4.3184 8.1584 119.0915 52.7073 18.7079 178.2132 127 G 3.8418 8.4414 106.0294 45.1210 0.0000 173.6450 128 V 3.8415 7.7707 120.0573 62.0183 32.1274 175.7197 129 N 4.6498 8.6232 125.6309 52.9604 40.6196 175.2479 130 D 4.3459 8.6338 127.5901 57.6206 41.0197 179.1597 131 R 3.9076 8.0023 118.0034 59.5342 30.0913 179.0305 132 T 3.8354 8.5147 115.8297 66.5192 68.4721 176.4198 133 L 3.8891 8.0676 121.9449 58.1834 42.1715 178.9448 134 A 3.9385 8.2506 120.9883 54.8887 18.2046 179.4186 135 Q 3.8772 8.3081 118.3854 59.4378 28.9701 178.4670 136 L 3.9740 7.8155 118.6678 58.0024 41.6663 179.4868 137 T 3.9710 7.5792 114.9281 66.7190 68.5681 176.6419 138 I 3.8583 7.5902 113.3101 63.2632 38.9749 177.2130 139 D 4.6813 7.8673 121.5556 54.2842 36.4478 176.5365 *142 G 3.7309 7.7477 111.3966 45.7656 0.0000 171.0113 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 N 8.28 4.87 0.00 3.00 3.21 0.00 0.00 7.07 6.82 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 2 F 8.49 4.27 0.00 3.17 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 3 N 8.73 4.41 0.00 2.79 2.98 0.00 0.00 6.86 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 4 R 8.78 4.28 0.00 1.89 1.85 0.00 3.06 0.00 0.00 3.06 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 5 F 7.93 4.39 0.00 2.81 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 6 T 8.56 4.00 4.19 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 0.00 0.00 0.00 1.22 0.00 0.00 7 Q 8.69 3.95 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 8 R 7.99 3.90 0.00 1.86 2.05 0.00 3.13 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.70 0.00 9 A 8.12 4.08 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.29 3.66 0.00 1.94 1.88 0.00 1.67 0.00 0.00 1.61 0.00 0.00 3.07 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.25 1.27 7.81 11 K 8.32 3.94 0.00 1.83 1.95 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 12 A 8.19 4.17 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 13 I 7.76 3.82 2.10 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.86 1.27 0.00 0.00 14 D 8.51 4.47 0.00 2.87 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 15 L 8.48 4.11 0.00 1.87 1.76 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.16 4.16 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 17 F 8.45 3.82 0.00 3.33 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 18 E 8.39 4.03 0.00 2.26 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 2.37 2.42 0.00 19 S 8.59 4.21 0.00 4.09 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 20 A 7.85 3.74 1.12 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 0.00 0.00 21 K 8.07 3.89 0.00 1.94 1.88 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.21 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.77 7.81 22 S 8.45 4.18 0.00 4.02 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 0.00 23 L 7.87 4.28 0.00 1.62 1.32 0.93 0.82 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 24 G 7.83 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.08 4.88 0.00 3.16 3.21 0.00 5.67 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 26 N 8.70 4.73 0.00 2.76 3.05 0.00 0.00 6.02 7.68 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 27 I 7.43 4.62 1.85 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 1.21 0.66 0.88 0.00 0.00 28 V 8.99 3.59 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 -0.01 0.00 0.00 29 G 8.62 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.71 4.29 0.00 4.05 4.15 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 31 E 8.04 3.92 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.29 0.00 32 H 7.94 4.30 0.00 3.31 3.52 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.68 3.71 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 1.61 0.88 0.95 0.00 0.00 34 L 8.15 3.87 0.00 1.79 1.81 0.77 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.08 4.10 0.00 1.92 1.82 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.53 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.88 4.02 0.00 1.80 1.73 0.90 0.96 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 38 L 8.04 4.11 0.00 1.77 1.85 0.98 1.05 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 39 R 8.29 4.27 0.00 1.80 2.01 0.00 3.21 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.66 0.00 40 E 8.02 3.94 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 2.34 2.70 0.00 41 E 7.89 4.34 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 42 E 8.07 4.21 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 2.28 2.45 0.00 43 G 8.57 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.30 3.68 1.84 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 1.55 0.57 0.87 0.00 0.00 45 A 8.20 3.92 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 46 A 7.93 3.97 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 47 K 8.04 3.95 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.58 7.81 48 V 8.17 3.58 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.99 0.00 0.00 49 L 7.97 3.95 0.00 1.83 1.58 0.77 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.16 4.49 0.00 4.04 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 51 K 8.00 3.99 0.00 1.96 1.89 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.73 7.81 52 V 7.47 4.21 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 0.76 0.00 0.00 1.21 0.00 0.00 53 G 8.13 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 54 F 8.67 4.17 0.00 3.27 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 55 T 8.25 4.82 4.31 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 1.24 0.00 0.00 56 E 8.90 4.02 0.00 2.08 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 0.00 2.46 2.45 0.00 57 A 8.03 4.02 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 58 Y 8.00 3.93 0.00 3.11 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 59 L 8.15 3.71 0.00 2.16 1.76 1.13 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 60 E 8.45 3.98 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 61 G 8.00 3.54 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 0.00 0.00 0.00 62 K 7.87 3.76 0.00 0.85 1.53 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.22 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.45 7.81 63 I 7.60 3.80 1.98 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 1.37 0.73 0.97 0.00 0.00 64 V 7.69 3.81 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 1.11 0.00 0.00 0.98 0.00 0.00 65 D 7.83 4.54 0.00 2.76 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.08 4.06 0.00 2.07 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 0.00 2.39 2.31 0.00 68 G 8.12 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 0.00 0.00 0.00 69 K 8.32 4.56 0.00 1.66 1.90 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.43 7.81 70 G 8.51 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 0.00 0.00 0.00 0.00 71 E 8.47 4.98 0.00 1.79 1.87 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 2.20 2.33 0.00 72 E 8.67 3.78 0.00 2.32 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 2.29 2.39 0.00 73 I 8.38 3.98 1.87 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 1.47 0.54 0.91 0.00 0.00 74 S 7.50 4.64 0.00 3.91 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 75 E 8.62 4.19 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 76 D 7.45 4.40 0.00 2.53 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 77 I 8.40 4.94 2.02 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 1.43 0.83 0.99 0.00 0.00 78 V 8.25 4.74 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.97 0.00 0.00 79 L 8.58 4.56 0.00 1.60 1.66 1.04 0.89 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 80 S 8.87 4.30 0.00 3.89 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 81 P 0.00 4.27 0.00 2.19 2.16 0.00 3.60 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 2.12 2.15 0.00 82 R 7.95 3.92 0.00 1.88 1.93 0.00 3.19 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 83 S 8.25 4.16 0.00 4.16 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.17 4.14 0.00 2.00 1.91 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.51 1.73 7.81 85 Q 8.25 4.02 0.00 2.17 2.31 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 2.51 2.44 0.00 86 I 7.93 3.78 2.10 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 1.57 0.58 0.98 0.00 0.00 87 L 8.15 4.22 0.00 1.91 2.03 1.12 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.51 4.17 0.00 2.17 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 0.00 2.35 2.53 0.00 89 L 8.37 4.05 0.00 1.94 1.94 1.00 0.92 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 90 S 8.54 4.76 0.00 4.10 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 0.00 91 G 7.76 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *93 F 8.12 4.51 0.00 3.42 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.09 4.03 1.18 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 0.00 0.00 95 N 8.51 4.33 0.00 2.71 2.83 0.00 0.00 6.99 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.96 3.95 0.00 1.64 1.82 0.00 1.37 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.30 7.81 97 L 8.33 4.17 0.00 1.76 1.76 0.98 0.87 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 98 K 7.48 3.79 0.00 1.83 1.82 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.34 7.81 99 T 8.18 4.65 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 1.27 0.00 0.00 100 N 8.68 4.06 0.00 1.68 1.56 0.00 0.00 6.76 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 0.00 101 Y 7.16 5.03 0.00 2.82 2.83 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 0.00 102 I 8.52 3.73 0.63 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.33 0.45 0.00 0.00 103 G 8.53 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.64 4.04 4.25 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 1.27 0.00 0.00 105 E 8.17 3.85 0.00 2.04 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 0.00 2.02 2.18 0.00 106 H 7.99 4.08 0.00 3.30 3.58 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 0.00 107 I 7.70 3.81 2.03 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.13 0.98 0.00 0.00 108 L 8.03 3.89 0.00 1.68 1.69 0.81 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.68 3.67 0.00 0.91 0.20 0.54 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.86 4.21 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.79 3.64 1.99 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 1.52 1.13 0.88 0.00 0.00 112 I 7.34 3.66 1.94 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 1.35 0.54 0.90 0.00 0.00 113 Q 8.21 4.17 0.00 2.42 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 114 E 8.55 4.11 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 115 G 8.09 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 116 E 7.63 4.48 0.00 1.90 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 2.20 2.25 0.00 117 G 7.66 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 0.00 0.00 0.00 118 I 8.28 3.76 1.88 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 1.57 1.62 0.94 0.00 0.00 119 A 8.04 4.00 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 0.00 120 N 8.09 4.27 0.00 2.95 2.85 0.00 0.00 7.11 7.93 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 0.00 121 K 7.93 3.73 0.00 2.07 1.93 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.57 7.81 122 I 8.21 3.97 2.15 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 1.65 0.96 1.31 0.00 0.00 123 L 8.23 4.23 0.00 1.84 1.75 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 124 N 8.32 4.30 0.00 2.53 2.72 0.00 0.00 7.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.04 4.57 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.16 4.32 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 0.00 127 G 8.44 3.84 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 0.00 0.00 0.00 128 V 7.77 3.84 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 0.80 0.00 0.00 1.26 0.00 0.00 129 N 8.62 4.65 0.00 2.80 2.67 0.00 0.00 7.21 8.49 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 0.00 130 D 8.63 4.35 0.00 2.72 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 0.00 131 R 8.00 3.91 0.00 1.96 1.98 0.00 3.14 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 132 T 8.51 3.84 4.41 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 1.21 0.00 0.00 133 L 8.07 3.89 0.00 1.88 1.73 0.87 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.25 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 0.00 135 Q 8.31 3.88 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 136 L 7.82 3.97 0.00 1.77 1.70 0.92 0.76 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 0.00 137 T 7.58 3.97 4.34 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 1.09 0.00 0.00 138 I 7.59 3.86 1.85 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 1.68 0.59 0.92 0.00 0.00 139 D 7.87 4.68 0.00 2.84 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 *142 G 7.75 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.