NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.6282 8.0700 122.2744 51.8519 21.7954 176.1235 3 E 4.5023 8.1701 117.0132 54.3923 30.0622 174.5019 4 I 4.8963 8.3066 120.0631 58.4170 42.4815 172.2069 5 P 4.8857 0.0000 0.0000 62.6573 32.8324 174.8999 6 L 5.3972 8.6834 121.3147 53.0699 45.1373 176.1225 7 F 4.7039 9.6480 124.5719 55.9099 41.6779 172.2084 8 P 5.0034 0.0000 0.0000 62.4303 32.1239 175.8976 9 L 5.0679 8.7028 122.4562 53.0335 45.8735 178.0149 10 S 4.1109 9.6019 117.3705 60.5649 63.0618 174.6054 11 N 4.9489 7.7942 117.1054 51.1074 40.8452 173.9310 12 A 4.0995 8.4879 127.3556 51.9303 19.2236 176.3660 13 L 4.6749 8.1037 122.1561 53.2423 44.0179 175.9633 14 F 4.7229 8.5503 123.9807 54.6121 41.4054 173.3316 15 P 4.3511 0.0000 0.0000 64.4379 31.4252 176.8144 16 A 3.8131 9.3371 124.6440 52.2300 17.3530 178.0092 17 G 3.8375 8.4065 105.2215 46.1452 0.0000 173.6585 18 V 4.4527 8.2182 123.4826 61.9114 33.1094 175.0548 19 L 4.5923 8.6105 128.1919 53.7006 45.6042 174.8714 20 R 4.9001 8.7807 125.6999 54.6583 31.3843 174.6041 21 L 4.5217 8.8796 127.4393 53.2537 44.1885 175.0676 22 R 4.8729 8.4466 125.2509 54.3433 31.9535 175.6839 23 V 4.1114 8.0812 124.4582 60.5822 32.2487 175.4377 24 F 4.6888 8.9745 124.3441 59.3125 40.1864 176.3384 25 E 4.1033 8.2731 119.7081 56.5765 29.8215 177.9660 26 I 3.9337 8.3620 122.6467 62.6412 37.9468 177.7884 27 R 3.6929 7.7293 115.5717 59.4086 29.2407 177.3259 28 Y 4.2915 7.3133 115.4935 59.0650 38.5663 177.0795 29 L 4.1172 7.4464 120.4141 57.7964 41.7463 179.9534 30 D 4.3788 7.7409 114.3365 54.8659 40.8045 177.6745 *32 V 3.8763 7.8790 119.2789 62.4532 33.4266 177.6931 33 R 3.6993 8.3896 119.1131 59.2023 29.9947 178.9117 34 R 3.8512 7.6982 117.9224 59.6990 30.2089 178.2719 35 C 4.7431 7.9040 117.2552 62.4694 27.9626 176.0393 36 I 3.8309 7.8963 120.5416 64.5105 36.6982 177.7386 37 A 4.1053 8.1625 121.1975 54.3480 18.2118 178.9256 38 D 4.9344 8.1623 115.2430 52.7933 40.9894 176.5013 39 G 4.0686 7.4989 104.9347 47.3026 0.0000 174.5959 40 S 4.6424 7.6993 114.8280 57.4503 65.4668 172.1862 41 E 5.3715 8.7080 118.1220 54.6546 32.8358 175.4655 42 F 5.0844 8.1840 115.4586 55.0220 41.4424 174.6969 43 G 3.9024 8.7407 107.5482 45.7621 0.0000 172.8702 44 V 5.4002 9.0603 124.1942 60.2228 33.7944 174.5594 45 V 4.7857 8.3823 127.6669 59.5882 34.6435 175.2214 46 V 4.4589 8.0612 122.0471 61.3714 33.1985 174.9094 47 L 4.3904 8.5741 124.3709 55.0312 41.4738 176.7906 48 E 4.0908 9.5069 124.7554 58.3861 30.3822 176.9375 49 Q 4.8000 7.3641 114.4780 53.1003 28.2334 173.0810 50 G 4.1308 7.6548 105.8284 46.2536 0.0000 171.4451 51 T 4.7092 8.3659 114.1780 59.8320 69.0366 173.8202 52 E 4.3210 9.0158 128.9932 59.3044 31.4910 178.4139 53 V 4.0725 8.1211 117.7801 61.7834 29.8205 178.8260 54 R 4.3583 8.6575 118.7065 55.5614 31.1024 172.5105 55 R 4.2265 8.1269 121.9980 55.2230 30.6957 175.6523 56 P 4.5410 0.0000 0.0000 63.6837 32.0396 176.1045 57 D 4.8050 8.0986 116.8107 52.9660 40.5001 175.6863 58 G 4.3144 7.8641 107.7441 43.6421 0.0000 171.8124 59 R 4.7983 8.3337 114.9688 54.0942 32.1045 174.9385 60 E 4.8442 8.8155 118.7440 55.3708 31.6057 175.6440 61 V 4.2926 8.1056 122.0879 61.0973 34.2715 174.8736 62 L 4.4661 8.0660 127.3023 53.8951 42.6374 176.3759 63 A 4.6229 7.9785 122.9956 50.9473 19.9965 178.5212 64 R 4.0101 8.6121 116.0302 57.8690 30.9548 176.2313 65 A 4.5462 7.2959 119.1431 51.7626 23.0472 175.4908 66 G 3.5383 6.6193 103.7650 45.5530 0.0000 172.2490 67 T 4.6057 7.7870 119.3003 62.7197 72.4398 174.4162 *69 A 4.3190 8.5802 129.5778 52.6574 20.4221 175.1116 70 R 4.5401 8.3820 121.2806 54.4498 31.6463 175.0342 71 I 4.5477 8.4974 127.1248 60.8607 36.9816 176.1204 72 D 4.8512 9.1628 129.1070 55.1526 41.5315 177.1541 73 H 5.1079 6.9699 121.0847 55.0219 30.8754 174.4082 74 W 5.1474 8.2053 120.1378 55.5724 30.1743 174.3891 75 E 4.4402 9.0064 117.0145 55.9829 33.7305 175.6091 76 A 5.6695 8.2129 120.2697 51.3057 19.5422 175.6005 77 P 4.2256 0.0000 0.0000 62.3966 31.0746 175.3009 *79 P 3.9601 0.0000 0.0000 63.8724 31.9082 177.1149 80 A 3.7806 8.7944 124.4983 52.2328 16.9576 176.4228 81 L 4.2504 7.4607 118.4853 53.8502 42.8323 175.0515 82 L 4.7309 8.3639 128.9229 54.0718 43.4813 174.4861 83 E 5.2179 9.2250 128.8568 54.2324 32.0786 174.5612 84 L 5.3597 9.1034 126.9652 53.9217 44.4481 175.1350 85 A 4.9840 8.3253 123.0636 51.2446 20.8371 176.1085 86 C 5.4963 9.4435 119.2614 58.3086 33.4898 173.1096 87 T 5.0422 8.6336 115.5491 61.7657 72.6069 174.0295 88 G 4.0461 8.8805 114.3323 46.7125 0.0000 172.1025 89 T 4.4664 8.7141 113.2740 61.5712 68.2860 178.0956 90 G 3.7992 9.0973 104.0195 45.1993 0.0000 173.3843 91 R 4.5838 8.2837 121.1542 55.3646 32.3812 175.3172 92 F 5.2972 8.1735 115.1950 55.4748 42.0902 173.0044 93 R 4.6439 8.8412 121.0814 54.7911 31.8424 174.8628 94 L 4.8402 8.6227 129.7951 54.5833 41.5817 176.0022 95 H 4.6512 9.0832 124.3855 58.5367 28.8855 176.0816 96 A 4.9436 7.8773 118.2515 50.6345 22.5590 174.5515 97 C 5.1589 8.7691 114.0980 56.8329 33.4308 173.3942 98 T 4.6993 9.9587 117.3166 61.9376 72.0814 172.7308 99 Q 3.9164 8.5222 127.6080 54.2304 29.4841 174.7980 100 G 3.9423 8.2473 123.4348 44.4270 0.0000 172.4975 101 K 3.6412 8.1735 121.3385 57.8029 32.9989 176.9433 102 Y 3.7014 9.0292 115.0437 58.6434 35.7700 171.3100 103 G 3.7287 7.6915 106.9671 45.3348 0.0000 173.8131 104 L 4.1019 7.8154 120.5499 54.2679 42.7877 176.3858 105 W 5.2007 8.8277 122.6995 56.1250 31.6096 175.1944 106 T 5.1187 9.0668 116.8063 61.1655 70.9811 172.7856 107 G 4.7611 8.9483 114.5850 44.7219 0.0000 171.3270 108 Q 4.5676 9.9611 119.7537 54.9674 29.5987 175.4287 109 A 4.9206 9.3400 128.9558 50.3087 21.0229 175.4777 110 E 4.6715 9.0902 126.0486 54.2342 30.3108 173.5240 111 P 4.9053 0.0000 0.0000 63.3984 31.9317 175.9383 112 V 4.5092 8.4468 116.3318 58.6560 33.7882 174.2189 113 P 4.3390 0.0000 0.0000 62.6044 31.8622 175.9160 114 D 4.4827 8.4978 121.6915 54.1890 41.2752 176.4913 115 D 4.5079 8.5526 123.5370 54.0667 41.5766 176.0822 116 A 4.3043 8.2273 124.3072 51.2812 19.2858 175.4888 117 P 4.8182 0.0000 0.0000 62.2920 32.8662 175.5711 118 L 4.8854 8.2932 121.9386 53.6049 43.9241 175.5170 119 E 4.5638 8.9845 120.7198 56.1391 30.4397 176.9769 120 V 3.9421 8.2617 122.5021 61.0223 32.0297 174.4970 121 P 4.4498 0.0000 0.0000 61.9410 31.5056 175.1940 122 P 4.2735 0.0000 0.0000 66.0629 31.0790 178.3478 123 E 3.9821 8.1356 115.6584 58.7775 29.7434 177.7455 124 L 4.4547 7.8848 117.5278 54.7393 41.6646 178.4975 125 A 3.9867 7.6462 124.0055 54.8691 18.2167 180.5091 126 R 3.8851 8.0524 116.5082 59.9849 30.1511 179.1144 127 S 4.1634 7.6401 113.9908 61.4770 62.6969 176.8400 128 A 4.3060 7.9427 123.3363 55.0527 18.3570 179.6474 129 S 4.0742 8.3596 112.7150 61.4572 63.1109 176.5059 130 A 4.0558 8.2064 124.5017 54.7825 18.1059 179.3674 131 L 3.7381 8.1374 119.0516 58.2758 42.1384 179.0453 132 G 3.8102 8.6247 106.0416 48.3154 0.0000 175.7169 133 R 3.9289 8.2785 120.2969 58.7212 30.0755 179.0439 134 L 3.9022 7.7027 118.7531 57.8819 41.6453 179.5443 135 I 3.3893 7.7543 119.5346 64.4230 37.0438 178.4960 136 A 4.0019 8.1920 121.5168 54.6571 17.9517 179.7868 137 R 3.8037 8.0442 117.9856 59.6830 30.2469 178.7571 138 L 4.0219 7.9518 118.6357 57.6203 41.4235 179.5278 139 Q 4.0649 7.8078 117.8068 58.7245 28.5996 178.5449 140 R 3.9337 7.9205 118.0361 59.0587 30.1971 177.5421 141 E 4.1693 7.9807 115.1433 56.0546 29.8796 176.3835 142 G 3.8843 8.1484 107.3670 46.1583 0.0000 174.5359 143 V 3.6447 7.7369 119.1876 61.6386 32.4947 173.9579 144 P 4.3764 0.0000 0.0000 62.1913 31.9536 175.5681 145 P 4.2502 0.0000 0.0000 66.1030 31.3152 177.6248 146 H 4.4725 8.0891 109.2892 56.5970 28.8685 175.4431 147 I 4.3825 6.9742 120.7260 60.2033 36.6565 174.0385 *149 P 4.0637 0.0000 0.0000 62.4330 33.0176 176.6368 *151 A 4.0706 7.8433 119.5997 52.4375 19.3465 177.1889 152 A 3.1593 8.3223 121.7189 54.8569 18.4250 176.2010 153 P 3.8958 0.0000 0.0000 62.9403 30.6661 176.1903 154 F 3.9948 7.5581 122.2831 56.0535 38.2790 176.7435 155 R 3.8295 5.8400 129.0199 54.5032 28.4239 177.6873 156 L 4.4194 7.3118 114.7083 55.9855 42.1305 177.2891 157 D 4.8429 7.7913 118.5820 53.4207 42.0495 174.2812 158 D 5.0961 7.9334 116.9622 51.2616 43.2765 174.6576 159 C 3.9754 8.6265 125.3815 63.0723 28.2555 176.4884 160 G 3.8011 8.3547 106.2797 47.7173 0.0000 175.0749 161 W 4.0061 8.2858 131.0845 60.1841 30.8437 177.7366 162 V 3.7122 8.6235 118.2987 66.3121 30.8646 177.4948 163 A 4.0763 8.6170 120.4100 55.5588 18.2257 179.2903 164 D 3.8540 8.1710 117.1166 57.3762 40.6281 179.1078 165 R 3.3584 7.1500 117.0772 58.9954 30.0919 178.6548 166 W 4.3183 7.5037 116.9421 59.9150 29.1674 178.0800 167 A 4.1065 7.9299 120.0118 54.7594 17.6887 178.4458 168 E 4.0786 7.0826 114.0498 56.1559 30.6600 176.5799 *170 L 4.1170 7.3493 117.8393 55.5157 42.7576 177.7730 171 S 4.4714 8.4505 118.5045 57.5934 61.4149 173.3663 172 L 4.8950 7.7870 123.6423 51.2751 45.2039 175.0250 173 P 4.3791 0.0000 0.0000 62.1656 32.0261 175.3663 174 P 4.2001 0.0000 0.0000 66.5232 30.9294 178.5578 175 A 4.0365 7.9647 119.4366 54.6180 18.2077 179.2179 176 D 4.3290 8.1951 117.9473 57.2176 40.9775 178.8798 177 K 4.0731 8.0876 118.3058 59.5092 32.0425 178.7290 178 A 3.7818 7.9194 120.8630 55.2165 18.3261 179.6233 179 R 3.8152 7.8051 116.4699 59.7458 30.0315 178.5794 180 L 4.0331 8.3925 117.7208 57.7051 41.6503 178.9575 181 L 4.1474 8.1471 119.8272 58.3034 42.1104 178.7559 182 L 4.1475 7.3513 115.9121 55.0302 42.1858 177.2818 183 L 4.1320 7.0701 121.5167 53.7538 42.8291 175.3675 184 P 4.4345 0.0000 0.0000 62.0684 33.1560 175.5463 185 P 4.2018 0.0000 0.0000 66.2469 31.1226 178.0562 186 L 3.8985 7.9499 120.0323 57.8549 42.0591 178.3977 187 D 4.3875 8.1186 118.1591 57.3499 40.7753 178.9317 188 R 3.9184 8.2239 118.6572 59.1993 30.0823 178.8276 189 L 3.9544 7.8960 119.8335 58.2432 42.1777 178.8281 190 R 3.8996 8.0345 118.0905 59.5008 29.5878 178.5656 191 E 3.9244 8.3813 119.0676 59.3148 29.4689 178.9000 192 I 3.7621 7.6232 111.6573 63.5870 37.8376 177.3865 193 D 4.3138 8.6770 121.8700 56.5800 40.9312 177.9636 194 A 3.9568 7.9705 121.3462 55.0667 18.0866 179.7807 195 V 3.5481 7.1980 115.4857 65.8561 31.6625 177.9864 196 L 3.9142 7.3664 117.5047 57.1293 41.4467 177.2828 197 A 4.2977 7.7693 119.0133 53.4589 19.8477 176.4550 198 A 4.0709 7.9772 124.3668 52.0028 18.4212 177.4813 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 2 A 8.07 4.63 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 3 E 8.17 4.50 0.00 2.08 1.88 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 2.29 2.38 0.00 4 I 8.31 4.90 1.80 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.42 0.85 0.00 0.00 5 P 0.00 4.89 0.00 2.24 2.27 0.00 3.66 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 2.21 2.08 0.00 6 L 8.68 5.40 0.00 1.76 1.74 1.04 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 7 F 9.65 4.70 0.00 3.27 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 8 P 0.00 5.00 0.00 2.11 1.93 0.00 3.92 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 9 L 8.70 5.07 0.00 1.69 1.59 0.78 0.74 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 10 S 9.60 4.11 0.00 3.86 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 11 N 7.79 4.95 0.00 2.67 2.68 0.00 0.00 6.94 7.96 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 12 A 8.49 4.10 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 13 L 8.10 4.67 0.00 1.51 1.45 0.95 0.56 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 14 F 8.55 4.72 0.00 3.16 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 15 P 0.00 4.35 0.00 2.09 2.17 0.00 3.90 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 2.06 2.08 0.00 16 A 9.34 3.81 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 G 8.41 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 0.00 0.00 0.00 18 V 8.22 4.45 2.25 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 0.78 0.00 0.00 0.96 0.00 0.00 19 L 8.61 4.59 0.00 1.75 1.39 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.78 4.90 0.00 1.69 1.86 0.00 3.41 0.00 0.00 3.15 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 21 L 8.88 4.52 0.00 1.58 1.39 0.55 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.45 4.87 0.00 1.40 1.14 0.00 3.32 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 23 V 8.08 4.11 2.21 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 0.68 0.00 0.00 1.05 0.00 0.00 24 F 8.97 4.69 0.00 3.18 3.12 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 0.00 0.00 0.00 0.00 25 E 8.27 4.10 0.00 2.14 1.88 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 2.50 2.52 0.00 26 I 8.36 3.93 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.29 0.78 0.00 0.00 27 R 7.73 3.69 0.00 1.67 1.79 0.00 2.63 0.00 0.00 3.08 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.67 0.00 28 Y 7.31 4.29 0.00 3.00 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 29 L 7.45 4.12 0.00 1.78 1.68 0.85 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.74 4.38 0.00 2.64 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 *32 V 7.88 3.88 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 0.89 0.00 0.00 0.80 0.00 0.00 33 R 8.39 3.70 0.00 1.86 1.85 0.00 3.18 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 34 R 7.70 3.85 0.00 1.91 1.97 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 35 C 7.90 4.74 0.00 3.17 3.07 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 36 I 7.90 3.83 1.84 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.55 0.70 0.00 0.00 37 A 8.16 4.11 1.34 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 0.00 0.00 0.00 38 D 8.16 4.93 0.00 2.89 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 39 G 7.50 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 0.00 0.00 0.00 40 S 7.70 4.64 0.00 3.95 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 41 E 8.71 5.37 0.00 1.84 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.44 5.50 0.00 2.77 2.83 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 87 T 8.63 5.04 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 1.22 0.00 0.00 88 G 8.88 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 0.00 0.00 0.00 89 T 8.71 4.47 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 1.30 0.00 0.00 90 G 9.10 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.28 4.58 0.00 1.72 1.68 0.00 3.13 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 92 F 8.17 5.30 0.00 3.00 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 93 R 8.84 4.64 0.00 1.90 1.80 0.00 3.16 0.00 0.00 3.16 7.17 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.98 4.56 0.00 1.88 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 0.00 2.52 2.19 0.00 120 V 8.26 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 0.84 0.00 0.00 1.00 0.00 0.00 121 P 0.00 4.45 0.00 2.55 2.18 0.00 3.80 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 2.09 1.98 0.00 122 P 0.00 4.27 0.00 2.24 2.38 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 123 E 8.14 3.98 0.00 2.09 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 0.00 2.27 2.27 0.00 124 L 7.88 4.45 0.00 1.85 1.73 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.65 3.99 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 0.00 126 R 8.05 3.89 0.00 1.83 1.99 0.00 3.30 0.00 0.00 3.48 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 127 S 7.64 4.16 0.00 3.76 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 0.00 128 A 7.94 4.31 1.43 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 0.00 0.00 129 S 8.36 4.07 0.00 4.10 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 0.00 130 A 8.21 4.06 1.57 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 0.00 0.00 131 L 8.14 3.74 0.00 1.82 1.92 0.12 0.91 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 0.00 132 G 8.62 3.81 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 0.00 0.00 0.00 133 R 8.28 3.93 0.00 2.14 1.99 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 134 L 7.70 3.90 0.00 1.69 1.54 0.67 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 135 I 7.75 3.39 1.71 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.90 -0.21 0.00 0.00 136 A 8.19 4.00 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 0.00 137 R 8.04 3.80 0.00 2.06 2.12 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 138 L 7.95 4.02 0.00 1.82 1.68 0.83 0.73 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 0.00 139 Q 7.81 4.06 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 140 R 7.92 3.93 0.00 1.94 1.99 0.00 3.14 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 141 E 7.98 4.17 0.00 2.02 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 0.00 2.31 2.29 0.00 142 G 8.15 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 0.00 0.00 0.00 143 V 7.74 3.64 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 0.77 0.00 0.00 0.94 0.00 0.00 144 P 0.00 4.38 0.00 1.95 1.84 0.00 3.61 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 2.08 2.10 0.00 145 P 0.00 4.25 0.00 2.05 2.12 0.00 3.67 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 2.04 2.08 0.00 146 H 8.09 4.47 0.00 3.24 3.45 0.00 5.67 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 0.00 147 I 6.97 4.38 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.41 0.89 0.00 0.00 *149 P 0.00 4.06 0.00 2.13 2.14 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.91 0.00 *151 A 7.84 4.07 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.32 3.16 1.08 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 0.00 153 P 0.00 3.90 0.00 2.02 1.96 0.00 3.61 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 154 F 7.56 3.99 0.00 2.88 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 0.00 155 R 5.84 3.83 0.00 0.78 1.53 0.00 2.94 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.80 0.00 156 L 7.31 4.42 0.00 1.59 1.73 0.89 1.24 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 0.00 157 D 7.79 4.84 0.00 2.68 2.51 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 0.00 158 D 7.93 5.10 0.00 2.69 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 0.00 159 C 8.63 3.98 0.00 3.10 3.23 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 0.00 160 G 8.35 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 W 8.29 4.01 0.00 3.40 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 V 8.62 3.71 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 1.19 0.00 0.00 1.24 0.00 0.00 163 A 8.62 4.08 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 0.00 164 D 8.17 3.85 0.00 2.64 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 R 7.15 3.36 0.00 1.40 1.36 0.00 2.21 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.15 0.00 166 W 7.50 4.32 0.00 3.31 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 0.00 167 A 7.93 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 E 7.08 4.08 0.00 2.09 1.71 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 2.26 2.15 0.00 *170 L 7.35 4.12 0.00 1.79 1.71 0.87 1.03 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 0.00 171 S 8.45 4.47 0.00 3.87 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 0.00 172 L 7.79 4.89 0.00 1.61 1.55 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 173 P 0.00 4.38 0.00 2.22 2.19 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.98 0.00 174 P 0.00 4.20 0.00 2.26 2.37 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 175 A 7.96 4.04 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 0.00 176 D 8.20 4.33 0.00 2.90 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 0.00 177 K 8.09 4.07 0.00 1.98 2.12 0.00 1.80 0.00 0.00 2.14 0.00 0.00 3.00 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.64 1.75 7.81 178 A 7.92 3.78 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 0.00 179 R 7.81 3.82 0.00 2.01 2.10 0.00 3.11 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 180 L 8.39 4.03 0.00 1.93 1.85 0.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 181 L 8.15 4.15 0.00 1.26 1.71 0.27 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 182 L 7.35 4.15 0.00 1.53 1.67 0.77 0.89 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 0.00 183 L 7.07 4.13 0.00 1.88 1.71 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 184 P 0.00 4.43 0.00 2.32 2.18 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.03 0.00 185 P 0.00 4.20 0.00 2.32 2.42 0.00 3.72 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 186 L 7.95 3.90 0.00 1.79 1.72 0.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 187 D 8.12 4.39 0.00 2.87 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 0.00 188 R 8.22 3.92 0.00 2.14 2.02 0.00 3.20 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 189 L 7.90 3.95 0.00 1.91 1.69 0.98 1.09 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 0.00 190 R 8.03 3.90 0.00 2.04 1.98 0.00 3.18 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 191 E 8.38 3.92 0.00 2.10 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 0.00 2.30 2.30 0.00 192 I 7.62 3.76 1.80 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 1.60 0.65 0.98 0.00 0.00 193 D 8.68 4.31 0.00 2.79 2.82 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 0.00 194 A 7.97 3.96 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 0.00 195 V 7.20 3.55 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 0.79 0.00 0.00 0.91 0.00 0.00 196 L 7.37 3.91 0.00 1.48 1.38 -0.19 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 197 A 7.77 4.30 1.23 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 0.00 0.00 0.00 198 A 7.98 4.07 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 * Residues marked with a * may have inaccurate shift predictions.