NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.2037 8.1744 117.3794 63.6082 70.6894 173.9790 8 D 4.2352 7.8237 126.3771 51.8468 40.4618 174.1047 9 P 4.3911 0.0000 0.0000 65.4364 32.2991 177.3287 10 R 4.1462 8.0743 116.2014 57.0790 30.4245 176.6863 11 A 4.2773 7.5858 121.0527 50.9436 19.0972 177.1938 12 K 3.9996 8.4902 120.8062 56.2905 32.7068 176.6230 13 W 4.2852 8.8155 135.0000 57.2859 31.2748 175.4176 14 V 4.0481 7.5425 124.5579 60.0717 32.4427 173.3827 15 P 4.0383 0.0000 0.0000 62.1767 32.4118 175.2035 16 Q 4.6480 8.4161 115.9185 54.8151 31.6646 174.1615 17 D 5.2065 8.6080 116.3398 54.4098 41.8687 176.0412 18 N 4.9432 8.7015 114.6241 51.8853 39.5259 173.2724 19 D 4.7014 8.1539 117.9703 51.9247 42.8064 175.8900 20 I 2.7623 8.0270 120.7818 62.8131 37.7838 176.8555 21 Q 4.1804 8.2511 118.6619 56.3931 29.3804 175.7033 22 A 4.5777 7.6064 121.6342 51.1679 19.8590 177.7843 23 C 4.6968 8.8355 117.5567 59.0674 36.1365 174.2146 24 D 4.9917 8.1139 118.7755 53.1754 40.5657 175.6065 25 Y 4.9005 8.4864 122.0329 57.4192 39.2361 176.7971 26 W 4.5955 8.3168 124.1733 60.0936 27.9209 177.8836 27 R 3.3497 6.2046 117.1080 58.0410 29.7283 176.3958 28 H 5.1539 8.2606 115.8027 56.0485 28.8825 174.5737 29 C 3.1056 8.3351 117.0825 57.1686 42.3587 174.2402 30 S 4.7733 7.8255 114.5613 56.8372 62.3820 173.7891 31 I 3.3464 7.3028 117.9680 60.1022 39.1773 174.3194 32 D 4.7645 9.0636 126.3393 54.0933 44.0105 173.1893 33 G 4.3598 7.6519 120.1014 44.7543 0.0000 173.7305 34 N 5.4699 9.3446 123.3696 50.9144 42.3106 173.4123 35 I 4.1746 8.3236 123.5714 61.0843 37.8164 176.8764 36 C 4.3133 8.5261 122.6068 59.7700 36.8984 175.6209 37 D 4.2080 8.1014 118.8035 57.0920 40.8581 177.8273 38 C 4.7271 7.9698 114.5754 57.5212 40.3622 173.7036 39 S 4.6131 8.2710 114.6324 58.2709 63.0597 175.0962 40 G 4.0402 8.8182 109.2070 46.1655 0.0000 175.4913 41 G 4.0368 7.4660 111.7139 45.0637 0.0000 171.3418 42 S 4.8552 8.5511 114.7805 56.6077 66.2553 174.4284 43 L 4.2233 8.5862 120.7800 57.9027 41.8005 178.2422 44 T 4.7774 7.4149 104.8755 60.7891 69.7523 173.0104 45 N 5.0854 7.8084 118.9220 51.7117 42.3371 173.1540 46 C 4.7554 8.4176 117.5593 55.7297 35.7209 172.3271 47 P 4.6388 0.0000 0.0000 61.4738 31.6983 174.4587 48 P 4.3012 0.0000 0.0000 64.1506 31.6654 177.2598 49 G 3.9860 8.8257 109.9674 45.4650 0.0000 173.5209 50 T 4.3233 6.7923 109.1257 60.5972 70.9644 174.1249 51 K 4.6044 8.7173 120.5448 54.3775 35.3344 175.5178 52 L 4.5437 8.4395 126.6005 54.1796 43.1786 176.0449 53 A 4.3179 8.6831 128.8055 52.4140 19.1437 176.7919 54 T 4.4074 8.8384 108.6470 62.9641 71.0643 175.4866 55 A 4.7537 8.1647 123.7475 51.8754 20.4196 177.2864 56 S 3.8496 7.0638 116.7507 58.2083 66.9000 176.2664 *58 V 4.2435 8.3282 113.6704 61.5394 32.7151 173.4648 59 A 4.7942 8.5195 120.8410 51.4543 23.1473 175.6215 60 S 5.1675 8.7724 115.7033 57.4075 64.4507 174.4584 61 C 5.2822 9.2437 123.1154 55.2155 39.5754 172.7765 62 Y 4.7653 9.0135 124.4656 57.4579 40.1149 173.4657 63 N 3.4897 8.5924 127.0996 50.8903 39.1489 173.7033 64 P 3.9621 0.0000 0.0000 65.9198 31.7505 177.9286 65 T 3.8571 7.7673 115.3951 65.8775 68.2606 174.6313 66 D 4.6081 7.5378 116.3347 52.1786 40.0991 176.3696 67 G 4.1897 7.8852 107.3339 46.3648 0.0000 173.3615 68 Q 4.6577 7.6389 117.8183 53.8467 32.4093 174.6299 69 S 5.3402 8.1684 116.1113 57.3451 65.6974 172.9695 70 Y 5.0330 9.0264 119.9869 56.0270 42.5900 174.3090 71 L 4.8067 9.2686 124.8062 54.5602 43.6892 175.2715 72 I 4.6400 8.6947 127.7180 59.5252 39.4486 174.6847 73 A 4.3382 7.9936 129.0742 50.2598 19.9638 176.2789 74 Y 4.5017 8.2629 119.9999 58.1964 38.2016 175.5309 75 R 4.7277 8.5106 123.7788 54.7591 32.8487 175.8291 76 D 5.3223 8.6268 122.5614 53.7647 43.6454 174.5912 77 C 5.2783 8.8755 118.7013 55.7558 42.4127 172.6280 78 C 5.3162 9.4925 120.9776 55.2148 44.4902 174.9014 79 G 4.1518 10.0190 105.8466 45.7790 0.0000 172.8383 80 Y 4.7649 7.3587 114.4039 55.9161 41.9395 174.4070 81 N 4.6151 8.4844 120.5084 52.7924 39.8300 175.1309 82 V 3.8941 8.6095 121.3668 61.2348 31.7066 176.5223 83 S 4.1102 8.2834 118.5941 59.9115 62.8492 175.8593 84 G 3.9556 7.8582 106.6765 45.1370 0.0000 173.0182 85 R 4.5084 7.8663 118.3585 55.6132 32.8098 175.4501 86 C 4.2921 8.6859 117.2695 57.5143 37.6801 171.4665 87 P 5.0704 0.0000 0.0000 63.3223 32.4803 176.7248 88 C 4.9436 8.9768 116.1758 56.2246 45.4235 173.3519 89 L 4.8362 8.3795 123.7621 54.2461 43.7748 174.5383 90 N 5.1513 9.1403 124.0699 50.9243 43.0760 174.5709 91 T 4.6128 7.5302 108.9212 60.9669 68.7874 174.1651 92 E 3.9203 8.3228 122.4780 58.6190 29.6354 177.8667 93 G 3.8315 8.8620 111.8390 45.5151 0.0000 172.1245 94 E 4.3930 7.9683 121.3049 55.9776 30.1061 176.3057 95 L 4.7234 8.3959 125.9553 52.1426 45.2872 174.0423 96 P 4.5435 0.0000 0.0000 62.1325 32.1539 178.2299 97 V 3.6276 8.4868 120.4966 64.9510 31.1632 176.8747 98 Y 4.4324 7.8552 116.0278 58.1256 38.8159 175.5569 99 R 4.7797 7.7565 119.6790 53.9916 30.7412 174.4020 100 P 4.4097 0.0000 0.0000 66.1198 31.6835 179.0283 101 E 3.7067 8.1628 116.6837 58.1515 29.6579 177.3399 102 F 4.7705 8.3555 115.8815 56.8232 39.8617 174.2267 103 A 5.1929 8.4262 124.4260 50.2619 19.7705 177.2791 104 N 5.0113 9.4614 119.4758 52.7540 37.8810 175.4949 105 D 4.6942 7.8226 118.0991 55.5092 41.5234 176.9669 106 I 3.5120 7.3016 119.9901 60.7876 37.4918 175.7866 107 I 3.7459 7.7156 125.6479 60.7436 37.0481 177.1488 108 W 4.7245 8.6740 130.9465 55.8669 27.6578 176.7032 109 C 4.8231 7.1451 114.9984 56.3289 42.9635 174.5885 110 F 4.4339 7.3034 119.5521 59.3273 38.8785 176.3281 111 G 4.3698 9.3875 111.6272 46.4123 0.0000 173.6740 112 A 4.4415 7.6753 122.4645 50.9166 19.2555 177.0207 113 E 3.9485 8.5847 121.2821 57.4080 30.2526 176.8902 114 D 4.2083 9.2478 120.2439 54.6819 38.4885 173.6747 115 D 4.4247 7.9362 114.8395 54.9367 38.9211 173.8457 116 A 4.1168 7.8419 121.8669 53.2079 18.5987 178.4370 117 M 4.7151 8.3915 118.7515 54.7528 34.8994 175.3260 118 T 4.4362 7.6595 110.0152 61.0674 70.8953 172.8811 119 Y 4.2629 8.5113 124.5439 57.4237 40.2424 173.8528 120 H 4.7150 7.9968 125.3266 57.0180 32.0216 171.4775 121 C 4.9505 6.7520 109.6446 55.0399 44.3634 171.6773 122 T 5.3445 8.9614 115.4880 61.8102 72.0178 174.0655 123 I 4.2894 8.5700 118.4843 59.2499 40.4866 175.0630 124 S 4.9307 8.1966 116.9075 56.5862 61.9293 172.6927 125 P 4.4551 0.0000 0.0000 62.5353 33.3627 177.2770 126 I 4.5159 8.1673 122.7749 61.3355 37.5886 176.0634 127 V 4.2721 9.4649 118.7819 60.4680 33.6968 175.5670 128 G 4.0125 7.4499 106.2060 46.4407 0.0000 171.8862 129 K 4.7689 8.5087 118.7691 55.4772 33.6004 176.5307 130 A 4.8014 9.1573 122.8538 49.8795 22.4624 176.6283 131 S 4.5759 8.8335 113.6676 58.1230 62.4840 175.1951 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 7 T 8.17 4.20 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 8 D 7.82 4.24 0.00 2.85 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 9 P 0.00 4.39 0.00 2.24 2.21 0.00 3.83 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 2.01 2.02 0.00 10 R 8.07 4.15 0.00 2.00 2.04 0.00 3.17 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 11 A 7.59 4.28 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 12 K 8.49 4.00 0.00 1.77 1.78 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.55 7.81 13 W 8.82 4.29 0.00 3.25 3.24 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 14 V 7.54 4.05 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 0.81 0.00 0.00 0.94 0.00 0.00 15 P 0.00 4.04 0.00 2.20 1.81 0.00 3.66 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 2.12 2.13 0.00 16 Q 8.42 4.65 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 17 D 8.61 5.21 0.00 2.59 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 18 N 8.70 4.94 0.00 2.86 2.92 0.00 0.00 5.97 8.06 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 19 D 8.15 4.70 0.00 2.74 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 20 I 8.03 2.76 1.31 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.54 0.14 0.00 0.00 21 Q 8.25 4.18 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.24 0.00 22 A 7.61 4.58 1.48 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 0.00 0.00 0.00 23 C 8.84 4.70 0.00 3.12 3.33 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 24 D 8.11 4.99 0.00 2.69 2.84 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 25 Y 8.49 4.90 0.00 3.35 2.84 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 26 W 8.32 4.60 0.00 3.56 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 27 R 6.20 3.35 0.00 1.37 1.61 0.00 2.95 0.00 0.00 2.86 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 28 H 8.26 5.15 0.00 3.57 3.35 0.00 5.63 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.34 3.11 0.00 2.09 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 30 S 7.83 4.77 0.00 3.81 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 31 I 7.30 3.35 1.73 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.37 0.85 0.00 0.00 32 D 9.06 4.76 0.00 2.80 2.36 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 33 G 7.65 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 34 N 9.34 5.47 0.00 2.73 2.78 0.00 0.00 7.40 6.83 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 35 I 8.32 4.17 1.85 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 1.09 0.64 0.93 0.00 0.00 36 C 8.53 4.31 0.00 3.00 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 37 D 8.10 4.21 0.00 2.71 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 38 C 7.97 4.73 0.00 3.13 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 39 S 8.27 4.61 0.00 3.96 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 40 G 8.82 4.04 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 0.00 0.00 0.00 41 G 7.47 4.04 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 0.00 0.00 0.00 42 S 8.55 4.86 0.00 3.90 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 0.00 43 L 8.59 4.22 0.00 1.67 1.67 0.93 0.58 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 44 T 7.41 4.78 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 1.17 0.00 0.00 45 N 7.81 5.09 0.00 2.68 2.66 0.00 0.00 7.01 8.94 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 46 C 8.42 4.76 0.00 2.90 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 47 P 0.00 4.64 0.00 1.95 2.04 0.00 3.48 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 2.04 2.05 0.00 48 P 0.00 4.30 0.00 2.00 1.96 0.00 3.63 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 2.00 2.06 0.00 49 G 8.83 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 50 T 6.79 4.32 4.11 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 0.29 0.00 0.00 51 K 8.72 4.60 0.00 1.63 1.70 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.35 1.65 7.81 52 L 8.44 4.54 0.00 1.75 1.53 0.92 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 53 A 8.68 4.32 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 54 T 8.84 4.41 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 1.24 0.00 0.00 55 A 8.16 4.75 1.61 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 0.00 0.00 56 S 7.06 3.85 0.00 3.85 3.30 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 *58 V 8.33 4.24 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 0.51 0.00 0.00 0.80 0.00 0.00 59 A 8.52 4.79 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 60 S 8.77 5.17 0.00 3.83 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 61 C 9.24 5.28 0.00 3.30 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 62 Y 9.01 4.77 0.00 3.17 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 63 N 8.59 3.49 0.00 1.44 2.28 0.00 0.00 6.57 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 64 P 0.00 3.96 0.00 2.12 2.17 0.00 3.27 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.08 0.00 65 T 7.77 3.86 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 1.13 0.00 0.00 66 D 7.54 4.61 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.89 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 0.00 0.00 0.00 0.00 68 Q 7.64 4.66 0.00 1.86 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.18 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 69 S 8.17 5.34 0.00 3.91 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 70 Y 9.03 5.03 0.00 3.39 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 71 L 9.27 4.81 0.00 1.78 1.59 1.04 1.21 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 72 I 8.69 4.64 1.42 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.03 -0.12 0.00 0.00 73 A 7.99 4.34 1.11 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 0.00 0.00 74 Y 8.26 4.50 0.00 2.91 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 75 R 8.51 4.73 0.00 1.78 1.86 0.00 3.08 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 76 D 8.63 5.32 0.00 2.90 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 77 C 8.88 5.28 0.00 2.73 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 78 C 9.49 5.32 0.00 2.78 3.08 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 0.00 0.00 0.00 0.00 79 G 10.02 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 0.00 0.00 0.00 80 Y 7.36 4.76 0.00 2.60 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 81 N 8.48 4.62 0.00 2.65 2.73 0.00 0.00 7.02 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 82 V 8.61 3.89 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 0.93 0.00 0.00 1.09 0.00 0.00 83 S 8.28 4.11 0.00 3.97 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 84 G 7.86 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 0.00 0.00 0.00 85 R 7.87 4.51 0.00 1.78 1.84 0.00 3.33 0.00 0.00 3.44 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 86 C 8.69 4.29 0.00 3.10 3.10 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 87 P 0.00 5.07 0.00 2.19 2.07 0.00 3.82 0.00 0.00 3.60 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 88 C 8.98 4.94 0.00 2.83 2.98 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 89 L 8.38 4.84 0.00 1.52 1.49 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 90 N 9.14 5.15 0.00 2.43 2.12 0.00 0.00 6.16 7.79 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 91 T 7.53 4.61 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 1.14 0.00 0.00 92 E 8.32 3.92 0.00 1.87 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 1.92 2.04 0.00 93 G 8.86 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 94 E 7.97 4.39 0.00 2.06 1.84 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 2.59 2.58 0.00 95 L 8.40 4.72 0.00 1.67 1.41 0.70 0.71 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 96 P 0.00 4.54 0.00 1.65 2.00 0.00 3.28 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 97 V 8.49 3.63 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 0.84 0.00 0.00 0.95 0.00 0.00 98 Y 7.86 4.43 0.00 3.15 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 99 R 7.76 4.78 0.00 1.86 2.02 0.00 3.42 0.00 0.00 3.32 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.49 0.00 100 P 0.00 4.41 0.00 2.48 2.48 0.00 3.78 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 101 E 8.16 3.71 0.00 1.16 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 2.07 2.20 0.00 102 F 8.36 4.77 0.00 3.06 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 0.00 103 A 8.43 5.19 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 0.00 104 N 9.46 5.01 0.00 2.74 2.91 0.00 0.00 7.03 8.06 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 0.00 105 D 7.82 4.69 0.00 2.63 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 0.00 106 I 7.30 3.51 1.21 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.32 -0.24 0.00 0.00 107 I 7.72 3.75 1.62 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.64 0.94 0.00 0.00 108 W 8.67 4.72 0.00 3.55 3.18 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 0.00 109 C 7.15 4.82 0.00 2.72 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 0.00 110 F 7.30 4.43 0.00 3.29 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 0.00 111 G 9.39 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 0.00 112 A 7.68 4.44 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 0.00 113 E 8.58 3.95 0.00 2.02 1.84 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 2.39 2.35 0.00 114 D 9.25 4.21 0.00 2.88 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 0.00 115 D 7.94 4.42 0.00 2.88 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 0.00 116 A 7.84 4.12 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 0.00 117 M 8.39 4.72 0.00 1.86 1.98 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 118 T 7.66 4.44 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 1.22 0.00 0.00 119 Y 8.51 4.26 0.00 3.13 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 0.00 120 H 8.00 4.71 0.00 3.21 3.19 0.00 5.87 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 0.00 121 C 6.75 4.95 0.00 3.05 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 0.00 122 T 8.96 5.34 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 0.00 123 I 8.57 4.29 1.87 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 1.42 0.90 0.96 0.00 0.00 124 S 8.20 4.93 0.00 3.73 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 0.00 125 P 0.00 4.46 0.00 2.05 2.11 0.00 3.72 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 2.06 1.94 0.00 126 I 8.17 4.52 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.45 1.05 0.00 0.00 127 V 9.46 4.27 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 0.61 0.00 0.00 0.95 0.00 0.00 128 G 7.45 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 0.00 129 K 8.51 4.77 0.00 1.60 1.58 0.00 1.46 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.99 1.45 7.81 130 A 9.16 4.80 1.19 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 0.00 131 S 8.83 4.58 0.00 4.07 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 * Residues marked with a * may have inaccurate shift predictions.