NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 5.2728 8.5281 116.1504 56.3088 33.0070 177.6856 4 N 4.1944 8.0669 115.1573 55.4135 37.9351 175.1913 5 P 4.2182 0.0000 0.0000 64.8144 31.8432 179.8691 6 L 4.0770 7.8347 117.4096 57.2713 41.5703 179.1022 7 L 3.9319 8.0717 121.0211 57.9771 41.9793 178.7371 8 E 3.8827 8.4005 118.8861 59.3534 29.3839 179.2045 9 R 3.5313 7.8618 118.3045 59.4529 30.0897 178.1902 10 A 3.9737 8.2200 120.7697 55.3434 18.2785 179.9316 11 R 3.8006 8.1291 116.4594 59.2608 29.9676 179.0304 12 R 3.8113 7.7871 117.4041 59.3854 30.3888 177.6720 13 F 4.6148 8.3399 120.7323 61.7510 39.3433 176.8270 14 L 4.0055 8.2474 119.9978 58.2384 41.6275 179.0669 15 S 4.2240 8.0080 112.7998 60.9502 62.9475 175.7906 16 A 4.2657 7.9346 123.0013 53.2385 19.7294 178.0203 17 L 4.3677 7.8070 122.9653 54.1512 40.4905 178.4332 18 R 4.0369 7.7900 120.4190 59.0330 30.2068 179.8159 19 H 4.4998 8.1977 111.5230 57.5672 28.9297 175.5201 20 C 4.7777 7.5975 114.1277 57.8572 30.2487 175.5492 21 Q 4.0720 8.0978 120.7097 58.5554 28.3616 178.6640 22 V 3.7910 7.6158 110.2815 63.4373 32.3440 176.9695 23 L 4.1126 8.1461 119.5338 54.8702 41.8012 177.8745 24 G 4.3657 7.9568 106.2760 46.1240 0.0000 173.7918 25 L 4.4351 7.1865 118.0962 54.7861 42.1586 176.9170 26 T 4.6842 8.6584 112.6051 59.7702 72.6701 172.8756 27 V 4.3582 8.2521 122.9886 62.4241 31.6937 175.3255 28 E 4.4629 9.4708 128.4315 58.7170 30.4782 176.8708 29 A 4.7777 7.7882 118.1010 50.9641 22.8695 175.2583 30 A 5.0982 8.2058 121.3598 51.0539 23.1603 175.5479 31 D 4.5105 8.8170 120.0073 52.8129 42.6212 176.1217 32 E 3.9179 9.1480 118.8762 59.8398 29.3039 178.5429 33 K 4.3310 9.2092 119.3162 54.2426 32.6721 181.0430 34 G 3.9756 6.6720 104.0011 45.8588 0.0000 170.6084 35 L 5.1056 7.3647 120.8506 53.7365 45.9839 175.9681 36 T 5.2837 9.1381 122.5825 61.9387 71.6295 173.3800 37 L 5.1559 8.8580 125.9797 52.9958 45.5294 175.2656 38 R 4.5924 8.9167 120.2904 54.4094 33.7405 173.6485 39 L 4.8664 8.6649 128.6965 52.3360 44.0769 173.8445 40 P 4.8492 0.0000 0.0000 62.5403 32.0733 177.0226 41 Y 4.2109 9.3121 122.9242 60.0608 37.5904 178.6822 42 S 4.0893 7.3071 114.5307 60.6156 62.9985 175.3101 43 Q 4.4350 7.6425 119.1581 55.8536 28.9544 175.7134 44 A 4.7363 7.8570 121.7790 51.6043 20.5312 175.9983 45 I 4.9029 7.8219 118.2781 62.0113 37.7182 175.3548 46 I 4.4197 8.0767 123.8817 60.0732 40.9812 176.4645 47 G 3.8247 8.6623 114.5355 45.8499 0.0000 172.6396 48 N 4.5294 8.5634 121.1624 52.3139 39.7669 174.5702 49 P 4.3112 0.0000 0.0000 66.0060 30.8806 177.9500 50 E 4.1732 8.3939 118.0063 58.3451 29.9469 177.7383 51 S 4.6730 8.4890 114.2920 57.4604 63.4143 175.1635 52 G 3.5045 7.5053 108.4490 45.8905 0.0000 173.0486 53 V 4.0228 7.1560 119.0450 61.5886 32.0482 175.3702 54 V 4.4130 8.1538 127.3619 62.0316 32.5676 174.9387 55 H 4.3752 9.1911 128.0076 55.8027 30.5730 176.1579 56 G 3.6857 8.8383 113.5359 48.0749 0.0000 175.9957 57 G 3.6042 7.1770 106.8886 47.0261 0.0000 175.5669 58 A 4.0336 7.8418 123.1402 55.4204 18.2306 179.8555 59 I 3.7018 7.7052 116.4388 64.4592 37.2591 178.3578 60 T 4.0566 7.7577 116.1523 67.0334 68.6538 176.1044 61 T 4.0756 7.7586 117.0972 66.6703 68.5970 176.0804 62 L 3.7679 7.9476 119.6973 56.8996 42.1312 177.6844 *64 D 4.6011 7.8771 117.1858 55.2673 43.0947 177.4520 65 T 3.8163 8.3788 115.9390 66.8580 68.3745 176.5771 66 T 3.6808 8.1785 117.8263 66.9156 68.2930 176.2103 67 C 4.0054 7.9866 116.4193 62.7294 28.4156 175.8070 68 G 3.0169 7.7254 107.0055 47.8668 0.0000 175.6557 69 I 3.1062 7.4968 122.3522 62.8022 37.0304 178.1860 70 S 4.1245 7.6617 115.0483 60.3909 62.7669 176.2286 71 T 3.8164 7.4312 114.1962 64.7127 68.0620 176.5723 72 V 3.8124 7.8804 115.3280 64.2330 31.2620 177.8376 73 C 4.2164 8.0345 115.6192 61.5059 28.0634 174.5142 74 V 4.3597 7.6170 111.2027 60.7089 33.4124 175.5978 75 L 4.5534 7.2181 120.4875 52.6219 42.6260 175.1852 76 P 4.4019 0.0000 0.0000 64.9548 31.6659 176.2863 77 D 5.0152 7.6374 116.6000 51.5006 43.2810 175.6395 78 F 4.5561 8.7034 124.6369 58.5786 39.7389 174.2397 79 E 4.0254 8.3388 124.0606 55.0406 32.0146 174.1552 80 I 3.6844 7.5346 121.0345 59.8124 38.2138 175.1037 81 C 4.6432 8.5080 123.6533 57.0644 29.0493 172.0973 82 P 4.4278 0.0000 0.0000 62.6147 31.5614 176.2916 83 T 3.3879 8.5500 119.5021 63.8544 68.9800 173.8345 84 L 4.4094 8.3391 126.1370 56.3913 43.4091 177.0836 85 D 4.6751 7.1922 116.7151 52.8929 45.5285 174.3823 86 L 5.2417 8.4487 124.3126 53.2197 45.2696 175.3545 87 R 4.7761 9.3496 122.7329 54.3895 32.4203 174.3625 88 I 4.9223 8.4756 122.7577 59.5512 40.3109 174.5782 89 D 4.8183 9.0666 126.3235 52.7257 44.0953 175.4493 90 Y 5.0364 8.9558 121.7015 56.8991 39.4387 174.4561 *92 H 4.8031 8.4551 115.3717 54.7188 29.7444 171.6953 93 P 4.3862 0.0000 0.0000 62.2964 31.8800 176.2596 94 A 4.2136 8.3801 123.4506 52.2262 18.9883 177.3226 95 E 4.1795 9.2723 121.9119 55.2967 29.7073 175.7659 96 P 4.3798 0.0000 0.0000 63.7459 32.1430 175.5352 97 H 2.5800 7.9673 114.3623 56.0841 26.6811 175.0049 98 K 4.6982 6.7229 117.2294 54.3644 35.5713 176.5645 99 D 4.6715 9.1723 124.1882 54.8442 41.9236 175.7377 100 V 4.3653 8.2689 121.6343 61.5240 33.7429 174.0542 101 Y 4.6968 8.7320 125.9118 56.2625 40.3057 174.7607 102 G 4.4159 9.1516 110.4009 44.3377 0.0000 171.7083 103 F 5.4275 8.9142 125.8309 56.1910 42.8001 173.6262 104 A 4.7812 7.5653 125.1868 50.3713 23.3718 174.5626 105 E 4.6924 8.8783 119.7914 54.5731 33.4557 174.6187 106 C 4.7605 8.9127 125.3897 60.2727 28.6490 172.7731 107 Y 4.9119 8.5112 121.7732 56.9283 39.7310 175.8157 108 R 4.6671 7.2681 120.0703 54.9383 33.9705 173.4917 109 V 4.9087 8.4796 125.3516 61.5318 32.7661 174.8826 110 T 4.6037 8.9650 118.6213 58.9768 71.0971 173.5301 111 P 4.5477 0.0000 0.0000 65.4271 31.1853 176.9958 112 N 5.0784 7.6895 111.1726 52.5171 40.5240 174.9481 113 V 4.6146 8.0031 118.9954 61.0511 35.5219 173.9359 114 I 4.9724 8.7924 127.9657 59.5341 40.2103 174.3255 115 F 5.1681 9.3486 125.5700 55.9971 41.5386 174.6857 116 T 5.2232 9.1402 116.8186 60.6690 71.2454 172.3360 117 R 5.1837 9.1518 127.2529 55.2671 34.1125 174.8139 118 G 4.7010 8.8638 109.8839 47.1625 0.0000 171.6538 119 F 5.4140 8.4173 112.6664 55.9640 41.5743 173.3424 120 A 5.2396 8.7129 122.8461 51.7298 20.9835 175.7453 121 Y 4.7925 8.4572 117.1790 57.1559 41.5572 173.2696 122 Q 4.6443 9.1129 114.7821 57.5427 31.4672 177.1629 123 D 4.6090 7.8938 121.4601 56.3715 42.0748 176.7467 124 D 5.0983 7.6087 116.7210 50.5558 43.6199 177.2289 125 P 4.0220 0.0000 0.0000 64.0471 31.6333 178.0920 126 G 3.6170 8.2721 108.2645 48.0436 0.0000 174.5998 127 Q 4.6002 7.5567 118.8126 52.6250 28.5585 173.3693 128 P 4.7182 0.0000 0.0000 62.6008 32.2143 177.7048 129 I 3.7793 9.0698 121.3085 64.3086 38.3111 176.0426 130 A 4.6501 7.7473 121.1797 51.0139 22.4670 175.0316 131 H 5.2594 8.9841 118.3242 54.4160 31.7229 174.3603 132 V 5.5771 8.5330 120.1236 60.9155 35.5070 174.0166 133 V 5.0526 8.5071 125.8087 61.4055 35.1002 174.1056 134 G 4.6210 9.5207 113.2139 44.8210 0.0000 170.8465 135 A 4.9294 8.3783 120.8460 49.5659 22.3517 174.6996 136 F 4.8138 8.6494 121.6143 55.3895 43.5190 175.6646 *138 R 4.0760 8.6839 123.9828 57.5911 30.3218 175.1440 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 3 E 8.53 5.27 0.00 1.91 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 2.21 1.84 0.00 4 N 8.07 4.19 0.00 2.98 3.10 0.00 0.00 6.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.22 0.00 2.17 2.13 0.00 3.67 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 2.11 2.16 0.00 6 L 7.83 4.08 0.00 1.68 1.70 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.07 3.93 0.00 1.93 1.78 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.40 3.88 0.00 2.10 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 2.60 2.44 0.00 9 R 7.86 3.53 0.00 1.90 2.00 0.00 3.17 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.27 0.00 10 A 8.22 3.97 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 11 R 8.13 3.80 0.00 2.04 1.95 0.00 3.12 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 12 R 7.79 3.81 0.00 1.75 1.78 0.00 3.25 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 13 F 8.34 4.61 0.00 3.25 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 14 L 8.25 4.01 0.00 1.81 1.82 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.01 4.22 0.00 4.10 4.09 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 0.00 0.00 0.00 16 A 7.93 4.27 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 17 L 7.81 4.37 0.00 2.00 1.58 1.11 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.79 4.04 0.00 1.74 1.94 0.00 3.25 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 19 H 8.20 4.50 0.00 3.21 3.49 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 7.60 4.78 0.00 3.00 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 21 Q 8.10 4.07 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 22 V 7.62 3.79 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 0.71 0.00 0.00 0.93 0.00 0.00 23 L 8.15 4.11 0.00 2.01 1.67 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.96 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 0.00 0.00 0.00 25 L 7.19 4.44 0.00 1.53 1.57 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.66 4.68 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 1.23 0.00 0.00 27 V 8.25 4.36 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 0.83 0.00 0.00 0.86 0.00 0.00 28 E 9.47 4.46 0.00 1.96 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 2.40 2.68 0.00 29 A 7.79 4.78 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 30 A 8.21 5.10 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 31 D 8.82 4.51 0.00 2.83 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 32 E 9.15 3.92 0.00 2.12 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 2.31 2.29 0.00 33 K 9.21 4.33 0.00 1.79 1.75 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.25 7.81 34 G 6.67 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 0.00 0.00 0.00 35 L 7.36 5.11 0.00 1.62 1.22 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 36 T 9.14 5.28 4.38 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 1.51 0.00 0.00 37 L 8.86 5.16 0.00 1.55 1.48 0.81 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.92 4.59 0.00 1.59 1.57 0.00 3.03 0.00 0.00 3.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.00 39 L 8.66 4.87 0.00 1.65 1.55 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.85 0.00 2.12 2.07 0.00 3.80 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 41 Y 9.31 4.21 0.00 3.15 3.39 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 42 S 7.31 4.09 0.00 3.87 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 7.64 4.43 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.24 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 44 A 7.86 4.74 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 45 I 7.82 4.90 1.90 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.06 1.05 0.00 0.00 46 I 8.08 4.42 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.80 0.92 0.00 0.00 47 G 8.66 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.56 4.53 0.00 2.74 2.71 0.00 0.00 6.67 7.71 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 49 P 0.00 4.31 0.00 2.33 2.33 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 50 E 8.39 4.17 0.00 2.14 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 2.36 2.38 0.00 51 S 8.49 4.67 0.00 4.03 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.51 3.50 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 0.00 0.00 0.00 53 V 7.16 4.02 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 0.90 0.00 0.00 0.97 0.00 0.00 54 V 8.15 4.41 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 0.85 0.00 0.00 0.98 0.00 0.00 55 H 9.19 4.38 0.00 3.21 3.25 0.00 5.85 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.84 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 57 G 7.18 3.60 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 58 A 7.84 4.03 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 59 I 7.71 3.70 2.21 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 1.69 0.62 0.99 0.00 0.00 60 T 7.76 4.06 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 61 T 7.76 4.08 4.43 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 1.22 0.00 0.00 62 L 7.95 3.77 0.00 1.70 1.84 0.84 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 *64 D 7.88 4.60 0.00 2.93 2.76 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 65 T 8.38 3.82 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 1.09 0.00 0.00 66 T 8.18 3.68 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 1.01 0.00 0.00 67 C 7.99 4.01 0.00 3.12 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 68 G 7.73 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 0.00 0.00 0.00 69 I 7.50 3.11 1.50 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.03 0.50 0.00 0.00 70 S 7.66 4.12 0.00 3.87 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 71 T 7.43 3.82 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 1.03 0.00 0.00 72 V 7.88 3.81 2.15 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 1.17 0.00 0.00 0.99 0.00 0.00 73 C 8.03 4.22 0.00 3.01 2.99 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 74 V 7.62 4.36 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 0.73 0.00 0.00 1.01 0.00 0.00 75 L 7.22 4.55 0.00 1.62 1.72 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.40 0.00 2.19 2.19 0.00 3.74 0.00 0.00 3.67 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 77 D 7.64 5.02 0.00 2.67 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 78 F 8.70 4.56 0.00 2.83 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 79 E 8.34 4.03 0.00 1.84 1.66 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 0.00 2.13 2.24 0.00 80 I 7.53 3.68 1.54 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 -0.36 0.82 0.00 0.00 81 C 8.51 4.64 0.00 3.02 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 82 P 0.00 4.43 0.00 2.18 1.99 0.00 3.62 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 83 T 8.55 3.39 4.18 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 0.92 0.00 0.00 84 L 8.34 4.41 0.00 1.32 1.56 0.76 0.92 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 85 D 7.19 4.68 0.00 2.55 2.47 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 86 L 8.45 5.24 0.00 1.51 1.47 0.99 0.92 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 87 R 9.35 4.78 0.00 1.86 2.01 0.00 3.03 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 88 I 8.48 4.92 1.89 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 1.34 0.70 0.58 0.00 0.00 89 D 9.07 4.82 0.00 2.55 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 90 Y 8.96 5.04 0.00 2.89 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 *92 H 8.46 4.80 0.00 3.22 3.41 0.00 5.53 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 93 P 0.00 4.39 0.00 2.22 2.10 0.00 3.88 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 2.03 1.99 0.00 94 A 8.38 4.21 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 95 E 9.27 4.18 0.00 2.03 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 2.35 2.27 0.00 96 P 0.00 4.38 0.00 2.06 2.06 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 97 H 7.97 2.58 0.00 3.06 3.17 0.00 5.79 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.72 4.70 0.00 1.70 1.67 0.00 1.80 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.35 7.81 99 D 9.17 4.67 0.00 2.56 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 0.00 0.00 0.00 0.00 100 V 8.27 4.37 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 0.77 0.00 0.00 0.93 0.00 0.00 101 Y 8.73 4.70 0.00 1.43 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 0.00 102 G 9.15 4.42 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 0.00 103 F 8.91 5.43 0.00 2.91 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 0.00 0.00 0.00 104 A 7.57 4.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.88 4.69 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 106 C 8.91 4.76 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.51 4.91 0.00 2.93 3.09 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 0.00 0.00 0.00 108 R 7.27 4.67 0.00 1.76 1.52 0.00 2.73 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 109 V 8.48 4.91 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 0.92 0.00 0.00 0.95 0.00 0.00 110 T 8.97 4.60 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 1.36 0.00 0.00 111 P 0.00 4.55 0.00 2.07 2.18 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 112 N 7.69 5.08 0.00 2.68 2.77 0.00 0.00 6.71 7.56 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 0.00 113 V 8.00 4.61 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 0.30 0.00 0.00 0.89 0.00 0.00 114 I 8.79 4.97 1.90 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 1.23 0.51 0.90 0.00 0.00 115 F 9.35 5.17 0.00 2.23 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 0.00 0.00 0.00 0.00 116 T 9.14 5.22 4.29 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 1.43 0.00 0.00 117 R 9.15 5.18 0.00 1.99 1.84 0.00 2.99 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 118 G 8.86 4.70 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 0.00 119 F 8.42 5.41 0.00 3.24 3.14 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 0.00 0.00 0.00 0.00 120 A 8.71 5.24 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 0.00 121 Y 8.46 4.79 0.00 3.27 3.35 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 0.00 122 Q 9.11 4.64 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.11 0.00 0.00 0.00 0.00 0.00 2.55 2.37 0.00 123 D 7.89 4.61 0.00 2.75 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 0.00 124 D 7.61 5.10 0.00 2.55 2.47 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 0.00 125 P 0.00 4.02 0.00 1.75 1.86 0.00 3.49 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.25 0.00 126 G 8.27 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 0.00 127 Q 7.56 4.60 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 128 P 0.00 4.72 0.00 2.14 2.17 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.60 0.00 129 I 9.07 3.78 2.02 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 1.24 1.15 1.16 0.00 0.00 130 A 7.75 4.65 0.56 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 0.00 131 H 8.98 5.26 0.00 3.17 3.27 0.00 5.77 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.53 5.58 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.91 0.00 0.00 133 V 8.51 5.05 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 1.24 0.00 0.00 1.01 0.00 0.00 134 G 9.52 4.62 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 0.00 135 A 8.38 4.93 0.68 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 0.00 136 F 8.65 4.81 0.00 2.82 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 *138 R 8.68 4.08 0.00 1.81 1.87 0.00 3.24 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.