NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4709 8.3193 115.3009 58.0566 64.0313 174.2858 7 N 4.5887 7.9393 116.3570 49.2577 39.8742 172.3679 8 P 3.8883 0.0000 0.0000 65.3343 31.5838 179.7655 9 E 3.8120 7.7574 118.5310 59.4969 29.3945 178.7281 10 D 4.3397 7.9790 119.1114 57.0708 40.8301 178.5257 11 L 3.9878 7.9493 120.7879 58.1079 42.1453 178.9857 12 A 3.9255 7.8282 120.7373 54.9682 18.2481 179.8294 13 K 3.9081 7.9724 117.0281 59.6873 32.0658 179.4166 14 N 4.3422 8.3368 116.9254 56.1697 38.4184 177.0806 15 F 3.3327 8.0687 122.4128 61.3772 39.3141 177.4218 16 T 3.6470 7.8507 114.9208 66.4249 68.3096 176.2253 17 K 3.8331 8.2577 121.9815 60.1717 32.2566 178.3087 18 D 4.4144 8.3132 120.3060 56.4620 40.7851 178.2920 19 L 3.6220 7.6391 120.9964 58.6592 41.8767 178.9207 20 Y 4.0722 8.0074 116.3007 60.3632 37.3670 177.7289 21 S 4.4502 8.3824 114.5417 58.9920 63.2008 175.7588 22 G 3.9119 7.7136 110.5987 46.0824 0.0000 174.8192 23 D 4.6060 7.7101 120.3605 53.2898 39.0916 176.4342 24 T 3.8774 8.0158 120.9168 65.9027 68.8887 175.6424 25 K 4.1398 7.8679 119.1464 59.6554 32.3106 179.1512 26 S 4.2525 8.1474 114.1333 61.3185 62.9963 176.8016 27 V 3.9891 7.8827 118.9191 63.8067 30.8670 177.4903 *29 S 4.4180 8.0092 113.6307 57.7506 64.6361 174.0249 30 Y 4.4800 7.9095 118.0995 59.6191 38.7893 175.5988 31 I 4.5781 7.7674 119.9407 60.4028 38.6382 175.3042 32 D 4.4580 9.0032 126.8490 53.8898 40.8887 175.6131 33 L 4.7450 8.3485 126.0255 54.5160 42.2074 178.9824 34 S 4.1892 8.1837 118.9304 61.8344 63.1091 176.2309 35 E 4.0880 8.1625 116.0817 58.4217 29.9349 181.2332 36 A 4.5032 7.3174 121.0808 52.3411 15.8120 177.0485 37 K 4.1063 8.1988 121.4316 57.8985 33.2249 178.5877 38 S 4.7028 8.3245 113.8916 56.6858 66.0769 174.9884 39 D 4.3588 8.4388 121.6031 57.5897 40.5092 178.9523 40 E 4.0082 8.1719 117.5472 59.4575 29.5888 178.8948 41 E 4.0408 8.0888 119.5423 59.0498 29.4334 179.4151 42 K 4.0046 8.0575 118.4012 59.7785 32.1005 179.2161 43 T 3.8664 8.1280 116.2814 66.7765 68.3596 175.9289 44 F 4.0166 8.4022 122.3250 61.5459 39.3237 177.3811 45 V 3.4221 7.9934 117.5235 65.8818 31.2841 177.7957 46 S 4.0340 8.3104 113.2191 61.3394 62.2220 175.5615 47 D 4.1948 8.2023 120.9126 57.2811 40.9154 178.1896 48 K 3.7376 7.6968 120.0919 59.5199 32.0951 178.8025 49 I 3.6780 8.0081 120.4945 64.5802 36.9104 178.3892 50 T 3.8384 8.2297 117.0149 66.8235 68.2995 176.6348 51 Q 3.9173 8.0183 119.7141 58.9921 28.7030 178.9306 52 V 3.7160 8.0317 119.6461 65.8074 31.4498 178.2555 53 V 3.3759 8.1456 118.1421 65.9376 31.4884 177.5262 54 A 3.9745 8.0586 120.9214 55.4510 18.1325 179.3897 55 E 4.0163 8.2212 115.6192 59.3705 29.9492 178.9054 56 N 4.3068 8.3960 117.4463 55.8408 38.4174 177.2541 57 A 4.3814 8.6319 123.7938 54.6196 18.4313 179.2617 58 A 3.9177 8.0038 119.3478 55.2764 18.1535 179.6166 59 K 3.7337 7.9970 116.4483 59.6926 32.5614 178.1471 60 A 4.2338 8.2544 120.9088 55.4802 18.0639 179.7973 61 K 3.9689 8.0858 115.4898 59.3244 32.2605 180.9960 62 R 4.1017 7.9633 118.6490 56.0482 30.2276 177.1077 *64 G 3.7263 7.9810 103.3043 44.3018 0.0000 174.6603 65 G 4.0821 8.9068 105.2282 44.9860 0.0000 173.2550 66 V 3.9479 7.9755 118.8798 62.2011 32.1560 175.6202 67 K 4.2182 8.8954 129.4129 58.9126 32.9008 176.0296 68 D 4.5924 7.3329 116.1371 53.3562 44.6705 174.1556 69 I 4.9501 8.1924 123.1013 59.7079 40.3209 174.7821 70 Q 4.6257 9.3976 124.6459 54.3868 33.8170 173.6390 71 I 4.6678 8.2334 120.9179 60.1254 38.5208 175.4340 72 E 4.4880 9.1718 126.1976 57.7069 31.2289 176.0593 73 E 4.9032 7.7463 116.4922 55.0818 34.5037 174.4530 74 K 4.9232 8.1107 118.1883 56.4400 35.4718 175.1488 75 T 4.5735 8.9370 118.9935 62.0949 72.2744 172.8615 76 I 4.8339 8.4651 126.9248 59.6559 39.9260 174.8550 77 N 5.1697 9.2815 124.8591 50.6603 41.6579 175.2922 78 K 4.2685 8.8596 117.6535 60.1788 32.5474 177.1818 79 D 4.7290 8.0693 115.8540 52.1926 41.4985 175.0332 80 S 5.6038 8.3121 112.9000 58.0512 66.8628 172.7963 81 A 5.1241 9.2010 121.7632 50.5424 23.1488 175.1951 82 K 4.5421 9.0750 121.0775 54.6483 35.4955 175.0308 83 I 4.6670 8.3547 128.7317 59.3129 40.4059 174.8127 84 R 4.4921 8.7007 128.5656 55.7013 31.1743 175.0260 85 V 4.5504 8.5065 127.7179 61.4215 33.5570 174.0940 86 L 4.9044 9.0434 130.7737 53.6749 43.8932 174.9201 87 V 4.4673 8.6355 126.7446 61.0105 33.9203 174.0313 88 L 4.9674 8.2869 127.6419 52.2693 43.9213 175.8109 89 F 5.0156 8.8440 122.7620 55.8228 40.9584 177.1178 90 N 4.3232 9.2601 119.4090 56.2785 38.4378 176.3204 91 N 4.4628 8.0711 112.8727 53.4396 37.4398 175.1146 92 D 4.7706 8.3971 118.3915 54.1770 41.1568 173.7751 93 N 4.8497 8.1972 115.5578 53.8224 39.8279 173.8941 94 N 5.6292 8.7014 117.8379 51.7824 43.2673 173.3283 95 Q 4.8778 9.1053 119.8145 54.2780 33.2873 174.3560 96 S 5.7104 8.8047 116.3456 55.9703 66.4945 172.8118 97 S 4.6544 8.2197 114.0477 57.7099 66.1869 172.8527 98 N 5.0065 8.6726 118.0544 52.6594 39.5295 174.8517 99 V 4.3048 8.7788 123.3142 61.1863 34.1164 174.1469 100 F 5.1918 8.7747 126.2124 56.0550 41.1291 174.7408 101 L 5.4559 9.0673 122.3971 52.9247 45.8895 175.3546 102 A 5.3351 8.9899 123.0031 50.1299 22.6126 175.4686 103 K 4.3135 7.8970 122.3234 54.1564 32.6879 175.9638 104 K 4.5169 8.1750 126.9857 55.3951 35.7041 176.1496 105 D 4.0630 8.2220 120.7652 56.1641 40.2490 174.8656 106 R 4.3745 8.6302 115.1773 55.2714 30.7437 175.2516 107 K 4.6250 7.3108 117.7806 54.6108 34.8702 176.0908 108 W 4.6129 8.7437 123.5681 57.0630 29.9839 175.4929 109 L 5.0609 9.3546 123.0440 52.9016 46.1954 175.8211 110 V 4.1676 8.7900 123.0662 62.9524 32.4672 175.0506 111 L 4.7756 8.9008 128.3557 53.6425 43.1065 176.5621 112 L 4.2314 8.5501 125.3422 54.7257 42.0775 177.9153 113 K 4.0335 8.6355 124.4514 54.6746 31.7689 173.0637 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 6 S 8.32 4.47 0.00 3.93 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 7 N 7.94 4.59 0.00 3.03 2.94 0.00 0.00 5.88 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 8 P 0.00 3.89 0.00 1.58 0.60 0.00 3.31 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.60 0.00 9 E 7.76 3.81 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 10 D 7.98 4.34 0.00 2.63 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.95 3.99 0.00 1.94 1.75 1.22 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.83 3.93 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 13 K 7.97 3.91 0.00 1.81 1.84 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.60 7.81 14 N 8.34 4.34 0.00 2.86 3.03 0.00 0.00 6.68 8.21 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 15 F 8.07 3.33 0.00 2.38 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 16 T 7.85 3.65 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 1.37 0.00 0.00 17 K 8.26 3.83 0.00 1.83 2.01 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.53 7.81 18 D 8.31 4.41 0.00 2.81 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 19 L 7.64 3.62 0.00 1.12 1.37 0.61 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.01 4.07 0.00 3.16 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 21 S 8.38 4.45 0.00 4.08 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.71 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 23 D 7.71 4.61 0.00 2.78 2.60 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 24 T 8.02 3.88 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 1.20 0.00 0.00 25 K 7.87 4.14 0.00 1.70 1.86 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.58 7.81 26 S 8.15 4.25 0.00 3.95 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 27 V 7.88 3.99 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 1.06 0.00 0.00 0.88 0.00 0.00 *29 S 8.01 4.42 0.00 3.91 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 30 Y 7.91 4.48 0.00 3.31 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 31 I 7.77 4.58 1.97 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.89 0.97 0.00 0.00 32 D 9.00 4.46 0.00 2.68 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 33 L 8.35 4.74 0.00 1.75 1.64 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.18 4.19 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.16 4.09 0.00 2.01 1.91 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 2.23 1.87 0.00 36 A 7.32 4.50 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 37 K 8.20 4.11 0.00 2.02 1.88 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 0.99 7.81 38 S 8.32 4.70 0.00 4.15 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.44 4.36 0.00 2.72 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 40 E 8.17 4.01 0.00 2.19 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 2.38 2.35 0.00 41 E 8.09 4.04 0.00 2.16 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 2.32 2.36 0.00 42 K 8.06 4.00 0.00 2.01 1.88 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.77 7.81 43 T 8.13 3.87 4.50 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 1.24 0.00 0.00 44 F 8.40 4.02 0.00 3.23 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 45 V 7.99 3.42 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 1.02 0.00 0.00 1.16 0.00 0.00 46 S 8.31 4.03 0.00 3.98 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 47 D 8.20 4.19 0.00 2.82 2.53 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 0.00 48 K 7.70 3.74 0.00 1.20 1.35 0.00 1.50 0.00 0.00 1.57 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.44 7.81 49 I 8.01 3.68 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.84 0.93 0.00 0.00 50 T 8.23 3.84 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 1.18 0.00 0.00 51 Q 8.02 3.92 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 52 V 8.03 3.72 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 1.03 0.00 0.00 0.96 0.00 0.00 53 V 8.15 3.38 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 1.01 0.00 0.00 0.86 0.00 0.00 54 A 8.06 3.97 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 55 E 8.22 4.02 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.33 0.00 56 N 8.40 4.31 0.00 2.57 2.31 0.00 0.00 6.85 7.73 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 57 A 8.63 4.38 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.00 3.92 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 59 K 8.00 3.73 0.00 2.03 2.13 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.34 7.81 60 A 8.25 4.23 1.69 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 61 K 8.09 3.97 0.00 1.88 1.89 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.70 7.81 62 R 7.96 4.10 0.00 1.94 1.95 0.00 3.26 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 *64 G 7.98 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 65 G 8.91 4.08 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 0.00 0.00 0.00 66 V 7.98 3.95 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 0.56 0.00 0.00 0.76 0.00 0.00 67 K 8.90 4.22 0.00 1.87 1.86 0.00 1.87 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.34 7.81 68 D 7.33 4.59 0.00 2.64 2.33 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 69 I 8.19 4.95 1.81 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 1.18 0.68 0.90 0.00 0.00 70 Q 9.40 4.63 0.00 1.83 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.78 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 71 I 8.23 4.67 1.82 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 1.28 0.51 0.86 0.00 0.00 72 E 9.17 4.49 0.00 1.76 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 73 E 7.75 4.90 0.00 1.81 1.73 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 2.26 2.27 0.00 74 K 8.11 4.92 0.00 1.61 1.64 0.00 1.43 0.00 0.00 1.63 0.00 0.00 2.66 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.39 7.81 75 T 8.94 4.57 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 1.22 0.00 0.00 76 I 8.47 4.83 1.82 0.00 0.00 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 1.14 0.50 0.81 0.00 0.00 77 N 9.28 5.17 0.00 2.83 2.79 0.00 0.00 6.31 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 78 K 8.86 4.27 0.00 1.88 2.00 0.00 1.51 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.44 7.81 79 D 8.07 4.73 0.00 2.75 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 80 S 8.31 5.60 0.00 4.17 4.07 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 81 A 9.20 5.12 0.90 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 0.00 0.00 82 K 9.08 4.54 0.00 1.68 1.53 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.08 0.66 7.81 83 I 8.35 4.67 1.71 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 0.95 0.50 0.85 0.00 0.00 84 R 8.70 4.49 0.00 1.95 1.84 0.00 3.05 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 85 V 8.51 4.55 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 0.87 0.00 0.00 0.90 0.00 0.00 86 L 9.04 4.90 0.00 1.72 1.57 0.95 0.88 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 87 V 8.64 4.47 1.54 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 -0.38 0.00 0.00 0.72 0.00 0.00 88 L 8.29 4.97 0.00 1.49 1.44 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.84 5.02 0.00 3.17 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 90 N 9.26 4.32 0.00 2.86 2.91 0.00 0.00 6.98 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.07 4.46 0.00 2.83 2.93 0.00 0.00 6.14 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 92 D 8.40 4.77 0.00 2.79 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 93 N 8.20 4.85 0.00 2.99 2.76 0.00 0.00 6.71 6.92 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 94 N 8.70 5.63 0.00 2.60 2.71 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 95 Q 9.11 4.88 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 96 S 8.80 5.71 0.00 3.87 3.78 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 97 S 8.22 4.65 0.00 3.94 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 98 N 8.67 5.01 0.00 2.51 2.09 0.00 0.00 6.70 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 99 V 8.78 4.30 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.98 0.00 0.00 100 F 8.77 5.19 0.00 3.04 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 9.07 5.46 0.00 1.69 1.86 0.75 0.27 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 0.00 102 A 8.99 5.34 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 0.00 103 K 7.90 4.31 0.00 0.79 0.87 0.00 1.12 0.00 0.00 1.24 0.00 0.00 2.70 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.94 0.52 7.81 104 K 8.17 4.52 0.00 1.78 1.61 0.00 2.00 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.34 7.81 105 D 8.22 4.06 0.00 2.75 2.20 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 0.00 106 R 8.63 4.37 0.00 2.03 1.87 0.00 3.35 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.15 0.00 107 K 7.31 4.62 0.00 1.93 1.93 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.38 7.81 108 W 8.74 4.61 0.00 3.26 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 0.00 109 L 9.35 5.06 0.00 1.57 1.55 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.79 4.17 1.91 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 0.48 0.00 0.00 0.31 0.00 0.00 111 L 8.90 4.78 0.00 1.58 1.58 1.00 1.02 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 0.00 112 L 8.55 4.23 0.00 1.67 1.67 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.64 4.03 0.00 1.77 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.34 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.