NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2724 8.3044 118.7954 53.0808 32.5958 173.3832 2 V 3.1510 9.3135 125.1014 62.7299 32.7853 165.0000 3 V 4.8293 8.0822 119.5115 59.5857 37.4431 173.4911 4 F 5.2294 8.6359 123.6930 56.5579 42.2264 174.0323 5 N 4.6491 9.0221 122.1910 52.9376 41.5249 174.0407 6 G 3.7243 6.7841 113.3189 45.7151 0.0000 168.8053 7 L 4.9391 8.0579 123.0389 53.9144 43.9163 176.5464 8 L 5.2416 9.1891 128.7436 53.1990 44.6321 174.6009 9 K 5.0896 9.0937 127.7524 54.6522 34.9835 174.4649 10 I 5.1074 9.1461 127.4888 59.2331 41.7790 173.3168 11 K 4.9270 9.2389 131.2231 54.9823 34.4389 175.0077 12 I 4.4805 8.9062 129.7338 60.6231 37.3847 176.4696 13 C 4.3648 9.1816 125.7797 61.3863 28.6370 173.6976 14 E 5.0692 7.8250 113.6023 55.6962 32.6591 172.8636 15 A 5.6011 8.8898 121.3588 50.6037 23.2869 175.4569 16 V 4.6045 8.3882 111.0012 58.9731 36.7355 175.5641 17 S 3.9553 8.7075 115.3466 59.5077 60.3256 172.9648 18 L 4.1456 7.9572 119.2274 54.4851 42.0234 176.7829 19 K 4.5414 8.2367 123.0054 53.6061 34.1201 174.1114 20 P 4.4223 0.0000 0.0000 62.8574 32.1996 176.9192 21 T 4.3564 8.2927 112.6214 60.8031 71.2396 175.6591 22 A 3.9884 8.5300 123.3082 55.1323 18.5113 179.5424 23 W 4.1334 8.1959 126.3400 60.8055 30.7626 178.3682 24 S 4.1451 7.9154 113.2059 61.0409 62.5088 176.0910 25 L 3.4957 7.6347 121.6514 56.5552 41.2338 179.2076 26 R 3.8891 6.6983 115.4239 57.5980 29.2331 175.6068 27 D 4.4873 7.2559 120.5505 53.0583 41.7348 176.7523 *29 V 3.9843 8.0700 123.5457 60.1840 35.0160 176.6739 30 G 4.0219 8.3948 115.4566 47.1904 0.0000 173.9666 31 P 4.8810 0.0000 0.0000 61.4190 31.8578 176.1618 32 R 4.5775 7.5007 115.0806 54.7467 34.3362 173.2704 33 P 4.1847 0.0000 0.0000 63.9808 31.2395 176.3759 34 Q 4.6601 8.2218 120.1728 53.3320 32.2850 171.0694 35 T 4.4911 8.2776 114.4489 62.8735 69.7023 174.5604 36 F 4.4992 8.7492 128.7497 57.3645 40.3019 174.1957 37 L 4.6057 7.3749 127.5969 52.9417 43.2698 176.5728 38 L 4.1369 8.7891 124.0770 54.5055 43.7606 175.9742 39 D 5.3897 9.0188 119.3259 51.2635 41.0420 173.6398 40 P 5.8500 0.0000 0.0000 61.9525 33.9685 175.1625 41 Y 5.3500 8.2575 117.4234 56.1162 41.7838 173.1457 42 I 4.8448 7.9615 120.6908 59.4627 40.4204 174.4726 43 A 4.9063 9.3207 128.8795 50.6046 21.1896 175.5041 44 L 4.8149 8.7247 124.8908 53.4608 44.0913 174.9167 45 N 5.4588 9.0078 123.5018 51.3590 42.6605 173.5305 46 V 4.6317 8.5404 122.6793 60.9239 33.9308 174.7353 47 D 4.2978 9.3520 129.1749 56.2679 40.0735 175.4543 48 D 4.9258 8.7096 122.2452 55.1438 41.4134 176.0049 49 S 4.6651 7.9553 114.4019 56.4451 66.3799 174.0076 50 R 5.0647 8.4649 124.6953 55.7428 30.5277 175.9377 51 I 4.0827 8.9473 126.7977 61.7190 38.2641 176.0041 52 G 4.0402 6.9843 105.6613 46.1988 0.0000 170.5312 53 Q 5.0148 8.2445 115.7334 54.7832 31.4846 174.5948 54 T 4.5320 8.5064 111.8909 61.2115 70.0274 173.5708 55 A 4.3698 8.9404 124.1678 52.2621 19.4416 176.9724 56 T 4.9909 8.4371 115.7906 62.6552 70.1469 174.9210 57 K 4.6575 9.3353 125.8858 55.2020 34.5318 175.4995 58 Q 4.6739 8.6923 122.6013 55.5047 29.8269 176.2900 59 K 3.7036 9.1819 122.6853 56.6160 29.8976 174.2183 60 T 4.4293 8.4396 110.9220 61.0342 71.2775 173.3997 61 N 4.8290 8.7590 124.0397 52.5192 39.7285 175.0411 62 S 5.4206 7.9213 114.6327 55.6840 63.0565 172.1839 63 P 4.0327 0.0000 0.0000 62.5506 33.1046 177.1401 64 A 4.5739 7.9479 123.1431 50.5893 20.2652 175.4527 65 W 4.5260 8.9906 121.7857 58.6922 30.4348 178.2849 66 H 4.1545 8.0000 113.2540 57.0530 25.8942 174.2006 67 D 4.9393 8.0877 117.6548 52.7410 43.1296 176.3381 68 E 5.1703 8.4831 123.5253 54.5101 32.0924 174.8556 69 F 4.9232 9.3696 123.8315 55.6620 43.3401 173.9548 70 V 5.0202 8.5154 121.5256 61.5124 34.1310 174.4171 71 T 4.7832 9.0390 121.3258 60.5963 71.3739 171.7976 72 D 4.9740 8.7558 127.2550 53.9155 42.3953 175.2523 73 V 4.4129 9.2760 126.5431 61.2769 34.0112 173.8417 74 C 4.9335 8.4912 124.9807 58.0269 30.3339 173.9891 75 N 4.0228 9.1998 124.1839 54.1180 36.5120 175.0529 76 G 3.6836 7.9809 105.2290 46.6474 0.0000 174.9152 77 R 4.7244 9.9719 123.7991 57.3748 32.2870 176.2962 78 K 4.7924 8.3034 115.5078 55.8927 36.4161 174.1853 79 I 4.8376 8.5701 121.7520 59.4218 40.0835 174.4341 80 E 5.0401 9.3212 127.0942 54.2836 33.0360 174.2325 81 L 5.1772 8.9212 126.1968 52.8763 44.7300 175.1104 82 A 5.1184 8.8506 125.8608 50.0067 21.8664 174.9587 83 V 4.2988 8.7627 123.7907 62.2435 33.1616 175.0219 84 F 4.9999 8.6703 125.3907 55.8060 43.6438 173.1009 85 H 5.2344 9.2154 121.6217 54.7220 31.4718 173.5970 86 D 4.8970 9.3836 126.5793 54.0863 40.7502 175.4234 87 A 4.3812 8.9775 129.3956 50.9311 19.3698 175.9828 88 P 4.4808 0.0000 0.0000 64.9017 31.7514 177.3770 89 I 4.5029 7.4223 117.1324 60.5437 40.6924 176.0728 90 G 3.7453 8.7302 112.4127 44.4679 0.0000 172.2180 91 Y 4.6420 7.9408 115.7845 58.0918 38.4121 175.9242 92 D 4.8762 8.6800 123.0621 54.6003 42.3110 175.2864 93 D 5.0475 8.8818 121.0150 53.2791 42.5093 176.0265 94 F 3.7940 9.0833 126.2959 58.5542 39.6998 173.6736 95 V 4.0082 6.8806 124.5956 63.3711 33.0197 175.0387 96 A 4.3488 6.2414 118.9204 51.5648 22.6677 173.6632 97 N 5.3254 8.9360 116.4096 52.7303 41.4158 172.9512 98 C 5.0562 8.8934 112.3595 57.3993 33.3097 173.0894 99 T 5.0265 8.4262 116.3482 61.8821 71.8178 173.3631 100 I 4.4989 8.7268 125.8900 59.4658 40.7177 175.0549 101 Q 4.4740 9.6034 127.2687 55.2047 29.6348 177.5024 102 F 4.0509 8.7886 121.2363 60.3505 38.6121 177.6732 103 E 4.0193 8.2383 118.4793 59.1899 29.6739 178.1564 104 E 4.0938 8.0429 117.3123 59.0005 29.8188 178.9448 105 L 3.9893 7.6068 119.5036 56.8842 41.5926 177.9999 106 L 4.5053 7.6854 116.4565 53.8150 42.3029 177.0550 107 Q 3.8852 7.8290 118.6352 57.4153 29.2069 176.4166 108 N 3.8092 8.1603 117.4234 53.2583 36.7684 173.3375 109 G 4.2365 8.4151 120.1439 43.5373 0.0000 176.4471 110 S 3.4003 8.8530 114.4935 58.7326 64.9356 173.5462 111 R 4.3193 8.4934 116.0724 57.4512 29.7476 175.4092 112 H 5.2187 8.3677 116.7390 54.6197 32.5688 172.5941 113 F 4.9483 9.5616 128.8612 56.4483 42.8278 173.5565 114 E 4.3841 6.7623 125.4628 55.3096 32.3577 173.3627 115 D 4.0594 6.7261 125.6658 53.7680 46.0640 174.6250 116 W 5.1025 8.8808 120.2113 56.1062 30.2986 176.3076 117 I 4.7281 9.1268 124.8279 59.3463 39.7206 174.8606 118 D 4.7841 8.9674 126.9880 54.5298 41.3328 175.7639 119 L 4.8997 8.8466 123.2160 53.4191 44.0004 175.6649 120 E 4.6970 8.9980 121.3995 54.2293 31.6478 175.8808 121 P 4.2768 0.0000 0.0000 64.9818 31.8634 176.1770 122 E 4.5782 7.7744 114.7757 55.1406 33.6898 174.8229 123 G 3.9985 10.1287 106.3193 45.0187 0.0000 171.9954 124 K 5.3114 8.4325 115.7761 55.5388 36.4362 175.4809 125 V 5.2859 9.1822 121.0515 60.3264 34.9998 173.5412 126 Y 4.4702 9.0092 125.5737 56.2667 40.1863 174.6926 127 V 4.8792 7.7286 118.9044 59.5288 36.7267 174.6017 128 I 4.5713 8.4321 122.7476 59.6640 40.1892 174.6205 129 I 5.0461 9.3512 129.1984 59.5142 40.3351 174.5287 130 D 5.4815 9.3610 126.0347 52.6099 44.9102 174.6476 131 L 5.0800 8.8638 122.3371 53.1505 45.4247 175.8076 132 S 4.7403 9.3079 117.3284 55.8054 63.7525 172.7420 133 G 4.4527 8.4989 120.2028 45.9629 0.0000 171.0160 134 S 5.0051 8.6345 119.4857 56.8959 66.7738 173.8477 135 S 5.0628 8.6210 116.0236 56.9999 65.0270 174.3899 136 G 3.7465 8.1190 108.3390 46.6569 0.0000 172.9457 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 M 8.30 4.27 0.00 2.05 1.68 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 V 9.31 3.15 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 0.94 0.00 0.00 0.95 0.00 0.00 3 V 8.08 4.83 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 0.86 0.00 0.00 0.92 0.00 0.00 4 F 8.64 5.23 0.00 2.75 1.81 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 5 N 9.02 4.65 0.00 2.34 2.41 0.00 0.00 6.60 7.20 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 6 G 6.78 3.72 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 0.00 0.00 0.00 7 L 8.06 4.94 0.00 1.85 1.65 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 8 L 9.19 5.24 0.00 2.03 1.83 0.98 0.59 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 9 K 9.09 5.09 0.00 1.90 1.67 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.25 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.40 7.81 10 I 9.15 5.11 1.90 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 1.16 1.74 0.98 0.00 0.00 11 K 9.24 4.93 0.00 1.89 1.69 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.48 7.81 12 I 8.91 4.48 2.01 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.01 0.90 0.00 0.00 13 C 9.18 4.36 0.00 3.18 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 14 E 7.83 5.07 0.00 2.08 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 2.15 2.48 0.00 15 A 8.89 5.60 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 16 V 8.39 4.60 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 1.20 0.00 0.00 0.65 0.00 0.00 17 S 8.71 3.96 0.00 3.96 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 18 L 7.96 4.15 0.00 1.73 1.61 1.01 0.66 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 19 K 8.24 4.54 0.00 1.67 1.66 0.00 1.95 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 1.31 1.42 7.81 20 P 0.00 4.42 0.00 2.18 2.29 0.00 3.78 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 2.32 2.24 0.00 21 T 8.29 4.36 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 1.30 0.00 0.00 22 A 8.53 3.99 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 23 W 8.20 4.13 0.00 3.50 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 24 S 7.92 4.15 0.00 4.02 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 25 L 7.63 3.50 0.00 1.73 1.48 0.90 0.44 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 26 R 6.70 3.89 0.00 1.51 1.55 0.00 2.21 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.27 0.00 27 D 7.26 4.49 0.00 2.52 2.57 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 *29 V 8.07 3.98 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 0.76 0.00 0.00 0.93 0.00 0.00 30 G 8.39 4.02 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 31 P 0.00 4.88 0.00 2.18 2.13 0.00 3.35 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 32 R 7.50 4.58 0.00 1.76 1.81 0.00 3.39 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 33 P 0.00 4.18 0.00 2.03 2.05 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 34 Q 8.22 4.66 0.00 2.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.78 0.00 0.00 0.00 0.00 0.00 2.16 1.92 0.00 35 T 8.28 4.49 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 1.21 0.00 0.00 36 F 8.75 4.50 0.00 2.93 2.97 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 37 L 7.37 4.61 0.00 1.27 1.35 0.87 0.95 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 38 L 8.79 4.14 0.00 1.62 1.70 0.99 0.84 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 39 D 9.02 5.39 0.00 2.62 2.66 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 0.00 0.00 0.00 40 P 0.00 5.85 0.00 2.51 2.31 0.00 4.17 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.01 0.00 41 Y 8.26 5.35 0.00 3.19 3.22 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 0.00 42 I 7.96 4.84 1.10 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 1.00 0.22 0.72 0.00 0.00 43 A 9.32 4.91 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 44 L 8.72 4.81 0.00 1.17 1.15 0.76 0.13 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 45 N 9.01 5.46 0.00 2.64 2.65 0.00 0.00 5.98 7.25 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 46 V 8.54 4.63 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 1.21 0.00 0.00 1.05 0.00 0.00 47 D 9.35 4.30 0.00 2.96 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 0.00 0.00 0.00 0.00 48 D 8.71 4.93 0.00 2.63 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 49 S 7.96 4.67 0.00 3.99 3.71 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 50 R 8.46 5.06 0.00 1.73 1.82 0.00 3.16 0.00 0.00 3.91 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 51 I 8.95 4.08 1.87 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 1.22 0.98 0.97 0.00 0.00 52 G 6.98 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 53 Q 8.24 5.01 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 54 T 8.51 4.53 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 0.94 0.00 0.00 55 A 8.94 4.37 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 56 T 8.44 4.99 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 1.47 0.00 0.00 57 K 9.34 4.66 0.00 1.64 1.65 0.00 1.84 0.00 0.00 1.84 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.23 1.18 7.81 58 Q 8.69 4.67 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 59 K 9.18 3.70 0.00 1.74 1.72 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.31 7.81 60 T 8.44 4.43 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 1.11 0.00 0.00 61 N 8.76 4.83 0.00 2.63 2.95 0.00 0.00 6.87 7.57 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 62 S 7.92 5.42 0.00 3.66 3.68 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 63 P 0.00 4.03 0.00 0.52 1.76 0.00 3.56 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 1.02 1.69 0.00 64 A 7.95 4.57 1.14 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 0.00 0.00 65 W 8.99 4.53 0.00 3.61 3.37 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 66 H 8.00 4.15 0.00 3.36 3.40 0.00 5.68 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.09 4.94 0.00 2.74 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 68 E 8.48 5.17 0.00 1.95 1.72 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 2.18 2.34 0.00 69 F 9.37 4.92 0.00 3.01 2.93 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 70 V 8.52 5.02 2.13 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 0.84 0.00 0.00 0.98 0.00 0.00 71 T 9.04 4.78 4.33 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 1.32 0.00 0.00 72 D 8.76 4.97 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 9.28 4.41 2.17 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 0.73 0.00 0.00 1.14 0.00 0.00 74 C 8.49 4.93 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.20 4.02 0.00 2.73 2.81 0.00 0.00 7.06 7.60 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 76 G 7.98 3.68 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 0.00 77 R 9.97 4.72 0.00 2.05 2.04 0.00 3.22 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 78 K 8.30 4.79 0.00 1.81 1.98 0.00 1.50 0.00 0.00 1.93 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.39 7.81 79 I 8.57 4.84 1.56 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 0.85 -0.36 0.77 0.00 0.00 80 E 9.32 5.04 0.00 1.93 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 2.20 2.36 0.00 81 L 8.92 5.18 0.00 1.57 1.48 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.85 5.12 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 83 V 8.76 4.30 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 1.07 0.00 0.00 0.95 0.00 0.00 84 F 8.67 5.00 0.00 1.69 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 85 H 9.22 5.23 0.00 3.32 3.34 0.00 5.78 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 9.38 4.90 0.00 3.09 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.98 4.38 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 88 P 0.00 4.48 0.00 2.10 2.17 0.00 3.70 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 2.09 2.16 0.00 89 I 7.42 4.50 1.90 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 1.37 0.63 0.92 0.00 0.00 90 G 8.73 3.75 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 0.00 0.00 0.00 91 Y 7.94 4.64 0.00 3.06 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 92 D 8.68 4.88 0.00 2.68 3.04 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 93 D 8.88 5.05 0.00 2.89 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 94 F 9.08 3.79 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 95 V 6.88 4.01 1.85 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 0.69 0.00 0.00 0.91 0.00 0.00 96 A 6.24 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.94 5.33 0.00 2.97 3.22 0.00 0.00 6.92 8.12 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 98 C 8.89 5.06 0.00 3.00 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 99 T 8.43 5.03 4.20 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 1.15 0.00 0.00 100 I 8.73 4.50 1.59 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 1.04 0.42 0.54 0.00 0.00 101 Q 9.60 4.47 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 102 F 8.79 4.05 0.00 3.20 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 0.00 103 E 8.24 4.02 0.00 2.00 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 2.30 2.39 0.00 104 E 8.04 4.09 0.00 2.16 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 2.34 2.05 0.00 105 L 7.61 3.99 0.00 1.77 1.62 0.56 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.69 4.51 0.00 1.67 1.75 1.08 0.78 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 0.00 107 Q 7.83 3.89 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.40 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 108 N 8.16 3.81 0.00 2.76 2.92 0.00 0.00 7.30 7.65 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 0.00 109 G 8.42 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 0.00 0.00 0.00 110 S 8.85 3.40 0.00 4.17 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 0.00 111 R 8.49 4.32 0.00 2.04 2.20 0.00 3.43 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 112 H 8.37 5.22 0.00 3.09 3.17 0.00 5.89 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 9.56 4.95 0.00 2.98 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 6.76 4.38 0.00 1.64 1.51 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 1.89 2.08 0.00 115 D 6.73 4.06 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 0.00 0.00 0.00 116 W 8.88 5.10 0.00 3.29 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 0.00 117 I 9.13 4.73 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.94 0.96 0.00 0.00 118 D 8.97 4.78 0.00 2.60 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 0.00 119 L 8.85 4.90 0.00 1.71 1.58 0.99 0.78 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 0.00 120 E 9.00 4.70 0.00 1.86 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 2.24 2.41 0.00 121 P 0.00 4.28 0.00 2.05 2.12 0.00 3.60 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 2.04 2.15 0.00 122 E 7.77 4.58 0.00 1.88 1.78 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 2.20 2.29 0.00 123 G 10.13 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 0.00 0.00 0.00 124 K 8.43 5.31 0.00 2.18 1.91 0.00 0.95 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.36 7.81 125 V 9.18 5.29 2.29 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 0.86 0.00 0.00 1.17 0.00 0.00 126 Y 9.01 4.47 0.00 1.43 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 0.00 0.00 0.00 0.00 127 V 7.73 4.88 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 0.83 0.00 0.00 0.91 0.00 0.00 128 I 8.43 4.57 1.86 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 1.10 0.78 0.89 0.00 0.00 129 I 9.35 5.05 2.00 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 1.12 0.87 0.00 0.00 130 D 9.36 5.48 0.00 2.56 2.56 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 0.00 131 L 8.86 5.08 0.00 1.40 0.99 0.55 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 132 S 9.31 4.74 0.00 3.93 3.79 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 0.00 133 G 8.50 4.45 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 0.00 0.00 0.00 134 S 8.63 5.01 0.00 3.85 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 0.00 135 S 8.62 5.06 0.00 3.95 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 0.00 136 G 8.12 3.75 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.