NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 4.0300 8.2127 109.7537 45.2573 0.0000 175.4560 4 L 3.5726 8.0727 123.3852 54.8439 42.5014 177.0791 5 K 4.3696 9.0196 118.5508 59.5257 33.7592 177.9299 6 K 4.4060 9.0624 118.9229 57.3982 32.2952 177.8410 7 F 4.3886 8.4478 117.4782 59.4743 39.2276 175.8876 8 F 4.8139 8.0765 119.1734 54.5656 39.1596 173.4225 9 P 4.0808 0.0000 0.0000 64.3953 31.4686 177.5651 10 Y 4.6078 7.7906 114.0922 57.6120 39.4929 175.4808 11 S 4.7970 8.0450 116.2212 56.9505 66.4615 173.8400 12 T 4.4022 8.5683 113.9349 62.3407 70.6024 173.9715 13 N 5.4320 8.1587 118.2098 51.6126 41.5141 174.3627 14 V 4.4526 8.7696 115.2384 59.7109 35.8116 174.2336 15 L 5.1588 8.8191 121.2426 53.3745 44.2618 176.5466 16 K 4.5039 9.2752 124.0703 55.4903 34.8362 177.3217 17 G 3.6035 8.6912 119.2762 45.3012 0.0000 173.7964 17A A 3.0651 6.6291 115.2202 52.4845 20.4884 177.0284 18 A 4.7366 7.8189 117.2392 50.9683 20.6975 175.6346 19 A 5.1049 7.7914 119.6988 51.7673 22.8357 175.7221 20 D 5.2599 8.5035 117.2349 52.1117 42.9466 174.4613 21 I 4.8423 8.4744 111.9825 58.7928 41.5765 174.3473 22 A 4.4788 8.5117 124.5443 51.3590 19.2278 177.0702 23 L 3.8423 8.4205 123.6675 54.8217 42.3721 175.6534 24 P 4.4753 0.0000 0.0000 62.6616 32.0428 176.6168 25 S 4.1842 8.5984 114.7652 59.5588 63.5703 174.9704 26 L 3.6305 7.7071 118.0091 55.3943 38.7813 173.2125 27 A 4.1722 7.4963 119.9574 53.3618 18.3504 179.1945 28 G 3.9116 9.1518 109.9737 46.0936 0.0000 173.6955 29 K 4.6683 8.0173 119.7898 56.0237 34.4770 175.5273 30 T 4.8856 8.8638 117.8423 62.2838 70.9220 174.5036 31 V 4.7328 8.8385 125.2620 61.1797 34.5689 174.3757 32 F 5.0218 8.9243 127.9658 56.5903 39.8484 175.2669 33 F 4.4111 10.5510 123.7756 56.8601 40.7427 174.8600 34 Y 5.1762 9.0389 123.5908 55.9370 41.0336 173.5918 35 F 5.2751 9.1809 126.2223 55.8778 40.5612 175.2578 36 S 4.5104 7.8670 116.7103 57.4574 66.2664 171.7388 37 A 4.4950 7.4325 120.8647 50.9989 21.4833 177.5445 38 S 3.4881 8.5521 114.1822 59.2499 63.3723 175.0928 39 W 4.6456 6.9820 117.3462 56.4394 28.3691 175.5190 40 C 4.7506 7.3260 120.4203 57.3578 32.5410 172.3857 41 P 4.2831 0.0000 0.0000 65.1902 31.1544 176.9724 42 P 4.3289 0.0000 0.0000 65.9171 31.1191 178.2820 43 C 4.3357 8.0194 116.4107 62.7677 27.9393 175.6820 44 R 4.1091 8.0930 119.3346 59.4266 28.9340 178.1229 45 A 4.2243 8.3995 120.7262 54.7703 18.4265 179.2266 46 F 5.2711 8.4613 120.6443 60.5285 39.5445 177.5378 47 T 3.9250 8.6269 116.4966 66.3726 68.2667 174.4343 48 P 4.2402 0.0000 0.0000 66.0631 31.5661 178.4250 49 Q 3.9479 7.4777 114.8423 58.3932 28.6545 178.5679 50 L 3.6966 7.3535 121.5429 57.7666 41.9789 179.0434 51 I 3.9780 8.2085 120.3544 64.3769 37.0148 178.1089 52 D 4.3885 8.4330 120.0971 57.4911 40.7656 178.6886 53 F 4.3549 8.4381 120.7168 61.5717 39.3440 175.4463 54 Y 4.6758 8.4939 120.1475 59.4614 38.3363 177.0223 55 K 3.5988 8.6551 121.3809 59.6930 32.6822 178.5492 56 A 3.9097 7.3549 118.8059 55.3038 18.4849 178.6019 57 H 4.5169 7.8138 110.7753 55.6842 29.9138 175.7224 58 A 2.0000 7.8771 122.2766 54.6596 17.4763 179.0271 59 E 3.6783 7.4761 116.5701 58.9651 29.8723 179.2923 60 K 3.8699 8.4079 120.5328 58.9283 32.4322 178.4674 61 K 3.9046 8.3373 116.9133 55.8618 33.5355 176.2776 62 N 4.0476 8.4581 119.0528 54.0598 37.1032 172.0849 63 F 6.2846 7.1781 112.9108 54.2524 42.2729 174.4238 64 E 5.3049 9.1816 119.6291 54.6233 34.0087 174.3377 65 V 4.9945 9.6712 121.6136 60.1627 35.2210 173.7868 66 M 5.0240 8.5556 123.0500 53.5169 35.4705 173.7885 67 L 4.7057 8.8010 128.8540 54.7505 43.7922 175.2500 68 I 4.7497 8.7578 128.1810 59.6181 39.2207 174.7128 69 S 5.1226 8.9850 122.6083 57.3094 63.3842 173.5188 70 W 5.2327 9.0885 126.3539 56.8287 29.5250 176.4355 71 D 4.9873 8.7565 120.5128 54.7376 40.8452 176.6417 72 E 4.4671 9.1244 120.7308 58.8364 30.2422 177.9706 73 S 4.6071 7.6214 109.0359 55.5293 67.5217 174.8907 74 A 2.9232 7.7526 124.9668 54.8344 17.9285 179.7601 75 E 3.8926 8.0308 116.6629 60.1226 29.5372 179.3750 76 D 4.5087 8.1880 118.4798 57.0447 40.7875 178.4717 77 F 4.3958 8.8395 121.7126 61.8783 39.3572 176.7098 78 K 3.9617 8.3481 118.3026 60.3983 31.7713 177.8587 79 D 4.3588 7.8191 117.6640 57.4733 40.8978 178.0285 80 Y 4.3452 8.0484 119.5870 60.5342 39.1442 176.4866 81 Y 4.0138 8.1500 120.3553 60.0683 38.7073 177.3109 82 A 3.7959 7.4256 122.0663 54.3658 18.7344 178.1891 83 K 4.0461 7.3332 113.5109 57.8028 33.1963 177.2841 84 M 3.3785 7.3953 118.1372 54.1241 32.1619 174.5015 85 P 4.3722 0.0000 0.0000 62.6515 32.3942 175.3343 86 W 5.1422 6.3700 116.8977 55.4168 31.0213 175.2553 87 L 5.0876 8.6929 118.6904 54.5563 43.5212 175.8087 88 A 5.0663 8.3085 120.7260 50.1231 22.8356 175.3888 89 L 4.5433 8.6600 123.3843 54.0638 43.1690 175.3536 90 P 4.4144 0.0000 0.0000 62.2143 32.1680 177.0105 91 F 3.5266 8.1802 124.3178 61.3198 39.1233 176.5573 92 E 4.0027 8.0874 117.7878 58.6541 29.3307 177.7107 93 D 4.5698 7.7682 120.5858 53.2640 38.2775 176.5267 94 R 3.8198 7.4982 122.7711 58.4742 30.7182 178.3083 95 K 3.8053 7.7537 118.1671 59.2686 32.0575 179.4349 96 G 4.0280 8.3566 107.6232 47.4260 0.0000 175.5681 97 M 4.2814 8.1322 120.5896 58.5007 32.2138 178.0629 98 E 4.0147 9.0636 119.9321 59.3658 29.5961 178.9535 99 F 4.1750 8.9235 120.9294 61.6675 39.4398 177.2624 100 L 4.2445 8.2606 117.7700 57.7969 41.4973 179.5600 101 T 4.0513 8.6655 116.3693 66.8038 68.3635 176.9688 102 T 3.9465 8.4356 118.3516 66.5699 68.2698 177.1188 103 G 3.1927 8.0113 106.8825 46.9322 0.0000 174.7594 104 F 4.4719 8.1421 117.0575 55.6234 40.4042 175.3336 105 D 4.1359 7.5266 117.5087 55.0241 39.6030 174.5596 106 V 3.8430 7.9008 118.2341 62.0565 31.7071 175.3388 107 K 4.6694 8.2384 126.2320 56.2514 33.2034 176.1282 108 S 4.8706 7.3230 111.3373 57.5992 65.0563 174.3135 109 I 4.3671 7.8583 114.2960 57.7756 40.0707 173.4556 110 P 4.5171 0.0000 0.0000 63.3103 32.2422 175.6566 111 T 4.6162 8.4248 117.4533 61.7573 72.6175 172.6766 112 L 5.3177 8.5925 126.8848 53.5698 44.7304 175.7584 113 V 4.6740 9.2801 119.4645 59.5184 36.0343 174.7367 114 G 3.8715 8.9504 111.6347 44.3103 0.0000 172.5250 115 V 5.0779 8.5981 117.7116 59.2340 35.8541 174.5302 116 E 4.4520 9.1686 125.5055 55.6126 29.7884 177.0780 117 A 3.8287 8.6158 130.2147 55.2470 18.5174 178.4992 118 D 4.5201 8.3948 115.0090 56.1471 41.3759 178.0047 119 S 4.4255 8.0324 111.6248 57.2622 64.9520 175.2744 120 G 4.1626 9.3774 108.7327 45.4293 0.0000 172.9539 121 N 4.7601 7.8766 117.0131 52.6449 40.0869 174.5535 122 I 4.4226 8.2705 122.9365 61.6032 37.8446 175.8617 123 I 4.1725 8.8532 127.5370 63.6412 38.9878 175.9802 124 T 5.6745 7.7960 113.4059 62.6040 70.3427 173.8953 125 T 4.5384 9.2258 117.3683 61.5875 69.8927 174.4017 126 Q 4.3618 7.9077 119.4553 56.1423 29.1973 177.3205 127 A 3.3460 7.9272 122.4733 55.0783 18.0952 179.6756 128 R 3.4205 7.8834 116.6195 59.5495 30.1694 177.8407 129 T 4.0198 7.3600 108.0042 63.5479 69.5746 176.0209 130 M 3.6862 7.2020 119.8447 56.0582 31.5899 178.3558 131 V 3.0607 6.9019 118.8632 65.1767 31.6883 177.8097 132 V 3.9371 7.1720 110.8041 63.8251 32.0891 178.0566 133 K 4.1927 7.8444 117.4744 57.9352 33.6037 176.5173 134 D 4.9368 7.9156 118.4630 52.0405 41.1485 173.6524 135 P 4.8963 0.0000 0.0000 65.1441 32.1596 178.3405 136 E 4.1973 8.4155 116.5234 56.7050 30.1895 176.5614 137 A 4.0296 8.6646 121.2748 53.0842 16.6251 180.3403 138 K 4.0607 8.7659 119.7488 61.2257 32.3383 178.1168 139 D 4.7644 8.4703 116.7872 53.7790 40.9216 176.1854 140 F 2.3908 6.9834 121.0927 57.5425 39.7582 173.4373 141 P 2.9700 0.0000 0.0000 64.1594 31.9142 175.8380 142 W 3.7540 7.8178 115.8208 57.7792 27.0717 174.0136 143 P 5.0393 0.0000 0.0000 62.8347 31.9369 176.7128 144 N 4.3742 8.5580 117.2455 53.6153 36.6665 174.1415 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 G 8.21 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 0.00 0.00 0.00 4 L 8.07 3.57 0.00 1.99 1.75 0.60 0.13 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 5 K 9.02 4.37 0.00 2.08 2.14 0.00 1.60 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.56 7.81 6 K 9.06 4.41 0.00 1.99 1.96 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.48 7.81 7 F 8.45 4.39 0.00 3.06 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 8 F 8.08 4.81 0.00 3.25 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 9 P 0.00 4.08 0.00 0.79 1.48 0.00 3.28 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 10 Y 7.79 4.61 0.00 3.33 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 11 S 8.04 4.80 0.00 4.05 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 12 T 8.57 4.40 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 1.23 0.00 0.00 13 N 8.16 5.43 0.00 2.61 2.86 0.00 0.00 6.75 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 14 V 8.77 4.45 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 0.39 0.00 0.00 0.84 0.00 0.00 15 L 8.82 5.16 0.00 1.56 1.80 1.23 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 16 K 9.28 4.50 0.00 1.69 1.73 0.00 1.92 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.47 7.81 17 G 8.69 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 17A A 6.63 3.07 1.17 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 0.00 0.00 18 A 7.82 4.74 1.24 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 0.00 0.00 0.00 19 A 7.79 5.10 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 8.50 5.26 0.00 2.90 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 21 I 8.47 4.84 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.08 0.93 0.00 0.00 22 A 8.51 4.48 1.24 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 0.00 0.00 0.00 23 L 8.42 3.84 0.00 1.48 1.58 0.34 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.48 0.00 2.21 2.04 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 25 S 8.60 4.18 0.00 4.02 4.05 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 26 L 7.71 3.63 0.00 1.92 1.83 0.91 0.85 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 27 A 7.50 4.17 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 28 G 9.15 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 0.00 0.00 0.00 29 K 8.02 4.67 0.00 1.87 1.95 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.73 1.60 7.81 30 T 8.86 4.89 4.53 0.00 0.00 0.00 0.00 0.00 0.00 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 31 V 8.84 4.73 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 0.68 0.00 0.00 0.94 0.00 0.00 32 F 8.92 5.02 0.00 3.18 2.94 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 0.00 0.00 0.00 33 F 10.55 4.41 0.00 2.41 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.04 5.18 0.00 2.62 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 35 F 9.18 5.28 0.00 2.54 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 0.00 0.00 0.00 0.00 36 S 7.87 4.51 0.00 2.72 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 37 A 7.43 4.50 0.18 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 38 S 8.55 3.49 0.00 3.78 3.43 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 39 W 6.98 4.65 0.00 3.43 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 40 C 7.33 4.75 0.00 2.36 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 41 P 0.00 4.28 0.00 2.25 2.13 0.00 3.76 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 42 P 0.00 4.33 0.00 2.25 2.32 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 43 C 8.02 4.34 0.00 3.21 3.11 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 44 R 8.09 4.11 0.00 1.87 2.18 0.00 3.31 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 45 A 8.40 4.22 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 46 F 8.46 5.27 0.00 3.16 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 47 T 8.63 3.92 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 1.27 0.00 0.00 48 P 0.00 4.24 0.00 2.25 2.28 0.00 3.82 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 2.19 2.07 0.00 49 Q 7.48 3.95 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 50 L 7.35 3.70 0.00 0.35 1.33 0.53 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.21 3.98 1.95 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.54 0.79 0.00 0.00 52 D 8.43 4.39 0.00 2.90 2.78 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 53 F 8.44 4.35 0.00 3.33 3.29 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 54 Y 8.49 4.68 0.00 3.63 3.31 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 55 K 8.66 3.60 0.00 1.79 1.83 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.66 7.81 56 A 7.35 3.91 1.07 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 0.00 0.00 0.00 0.00 0.00 57 H 7.81 4.52 0.00 2.69 2.88 0.00 5.65 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 58 A 7.88 2.00 0.33 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 59 E 7.48 3.68 0.00 1.96 1.90 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 2.10 2.16 0.00 60 K 8.41 3.87 0.00 1.49 1.70 0.00 1.60 0.00 0.00 1.61 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.41 7.81 61 K 8.34 3.90 0.00 1.39 0.77 0.00 1.66 0.00 0.00 1.41 0.00 0.00 2.78 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.29 0.85 7.81 62 N 8.46 4.05 0.00 2.88 2.82 0.00 0.00 6.56 7.78 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 63 F 7.18 6.28 0.00 3.54 3.31 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 64 E 9.18 5.30 0.00 2.19 1.90 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 2.33 2.41 0.00 65 V 9.67 4.99 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 0.23 0.00 0.00 -0.18 0.00 0.00 66 M 8.56 5.02 0.00 1.40 1.44 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 67 L 8.80 4.71 0.00 2.13 1.56 1.10 0.75 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 68 I 8.76 4.75 1.15 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.38 1.02 0.00 0.00 69 S 8.99 5.12 0.00 4.50 4.21 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 70 W 9.09 5.23 0.00 3.10 3.51 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 71 D 8.76 4.99 0.00 3.12 2.88 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 72 E 9.12 4.47 0.00 2.09 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 2.30 2.46 0.00 73 S 7.62 4.61 0.00 4.27 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 74 A 7.75 2.92 1.13 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 0.00 0.00 75 E 8.03 3.89 0.00 2.06 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 2.40 2.48 0.00 76 D 8.19 4.51 0.00 2.80 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 77 F 8.84 4.40 0.00 3.08 3.03 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 78 K 8.35 3.96 0.00 2.27 1.96 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.65 7.81 79 D 7.82 4.36 0.00 2.79 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 80 Y 8.05 4.35 0.00 2.95 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 81 Y 8.15 4.01 0.00 2.43 2.38 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 82 A 7.43 3.80 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 83 K 7.33 4.05 0.00 1.45 1.65 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.21 1.24 7.81 84 M 7.40 3.38 0.00 0.51 1.34 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.00 0.00 85 P 0.00 4.37 0.00 2.44 2.08 0.00 2.20 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.70 0.00 86 W 6.37 5.14 0.00 3.46 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 87 L 8.69 5.09 0.00 1.82 1.65 0.94 0.95 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 88 A 8.31 5.07 0.73 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 89 L 8.66 4.54 0.00 1.99 1.74 1.36 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.41 0.00 2.22 2.06 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 91 F 8.18 3.53 0.00 1.68 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 92 E 8.09 4.00 0.00 1.98 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 2.36 2.44 0.00 93 D 7.77 4.57 0.00 2.82 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 94 R 7.50 3.82 0.00 1.67 1.78 0.00 2.49 0.00 0.00 2.99 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.39 0.00 95 K 7.75 3.81 0.00 0.85 0.74 0.00 1.29 0.00 0.00 1.29 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 1.22 7.81 96 G 8.36 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 0.00 0.00 0.00 97 M 8.13 4.28 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.07 3.08 0.00 98 E 9.06 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 2.30 2.46 0.00 99 F 8.92 4.18 0.00 3.32 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 0.00 100 L 8.26 4.24 0.00 2.09 2.10 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.67 4.05 4.61 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 1.46 0.00 0.00 102 T 8.44 3.95 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 1.09 0.00 0.00 103 G 8.01 3.19 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 0.00 0.00 0.00 0.00 104 F 8.14 4.47 0.00 2.96 2.92 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 0.00 105 D 7.53 4.14 0.00 2.69 2.61 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 0.00 106 V 7.90 3.84 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 0.18 0.00 0.00 -0.25 0.00 0.00 107 K 8.24 4.67 0.00 1.79 1.87 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.42 7.81 108 S 7.32 4.87 0.00 3.97 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 0.00 109 I 7.86 4.37 1.47 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 -0.51 0.00 0.00 110 P 0.00 4.52 0.00 2.12 2.18 0.00 3.63 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 1.82 1.96 0.00 111 T 8.42 4.62 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 1.09 0.00 0.00 112 L 8.59 5.32 0.00 1.73 1.52 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 113 V 9.28 4.67 2.26 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 0.80 0.00 0.00 0.63 0.00 0.00 114 G 8.95 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 0.00 0.00 0.00 115 V 8.60 5.08 2.27 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 1.10 0.00 0.00 1.21 0.00 0.00 116 E 9.17 4.45 0.00 2.04 1.86 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 2.32 2.29 0.00 117 A 8.62 3.83 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 0.00 118 D 8.39 4.52 0.00 2.75 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 0.00 119 S 8.03 4.43 0.00 3.97 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 0.00 120 G 9.38 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 0.00 121 N 7.88 4.76 0.00 2.77 2.76 0.00 0.00 7.02 6.56 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 0.00 122 I 8.27 4.42 1.91 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 1.51 0.49 1.06 0.00 0.00 123 I 8.85 4.17 1.95 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.81 0.84 0.00 0.00 124 T 7.80 5.67 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 1.42 0.00 0.00 125 T 9.23 4.54 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 1.25 0.00 0.00 126 Q 7.91 4.36 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.16 0.00 127 A 7.93 3.35 1.42 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 0.00 128 R 7.88 3.42 0.00 1.51 1.68 0.00 3.08 0.00 0.00 2.86 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 129 T 7.36 4.02 4.06 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 1.02 0.00 0.00 130 M 7.20 3.69 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.32 0.00 131 V 6.90 3.06 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 0.46 0.00 0.00 0.41 0.00 0.00 132 V 7.17 3.94 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 0.91 0.00 0.00 0.89 0.00 0.00 133 K 7.84 4.19 0.00 1.67 1.84 0.00 1.68 0.00 0.00 1.50 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.41 7.81 134 D 7.92 4.94 0.00 2.95 2.92 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 0.00 135 P 0.00 4.90 0.00 2.39 2.32 0.00 3.94 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 136 E 8.42 4.20 0.00 2.09 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 2.31 0.00 137 A 8.66 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.77 4.06 0.00 1.87 1.94 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.54 7.81 139 D 8.47 4.76 0.00 3.12 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 F 6.98 2.39 0.00 2.74 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 0.00 141 P 0.00 2.97 0.00 1.61 0.73 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 142 W 7.82 3.75 0.00 3.38 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 0.00 143 P 0.00 5.04 0.00 2.19 2.07 0.00 3.40 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.91 0.00 144 N 8.56 4.37 0.00 2.86 2.93 0.00 0.00 6.33 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