NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 R 4.3318 8.0976 120.8625 56.3530 32.2585 177.4106 17 S 4.1499 7.9883 113.0062 59.9340 62.8130 174.7054 18 L 3.8701 8.2750 125.8584 58.1891 42.4035 179.6773 19 A 4.0327 8.0814 119.9641 55.0207 18.0674 179.1748 20 A 3.9205 7.7417 118.2451 55.6310 18.6091 179.4713 21 I 4.2408 8.2144 117.1416 64.9038 37.3326 177.6004 22 D 4.5758 8.6717 118.5481 57.6536 41.1215 178.7858 23 S 4.3880 7.7895 115.3239 57.5201 63.5268 174.1590 *25 I 3.9289 7.3468 121.1413 60.7548 38.3452 175.4552 26 D 4.4158 8.5938 124.5213 53.7159 41.5679 174.9529 27 P 4.2770 0.0000 0.0000 65.9895 31.4864 177.3567 28 D 4.3696 7.8442 116.3912 56.8415 40.7553 176.7222 29 I 4.0766 7.9384 120.3610 60.5274 35.6883 174.8337 30 S 4.6016 8.2676 119.0689 56.6306 65.9615 174.2228 31 G 3.6229 8.3960 107.8939 43.9367 0.0000 172.0874 32 P 4.0090 0.0000 0.0000 61.9091 30.3701 178.2945 *34 R 4.1826 7.9452 119.8403 56.6636 32.4142 176.4459 35 H 4.1226 8.1060 116.8970 59.3474 29.8067 177.3094 36 I 3.7602 7.7113 121.0839 64.4575 37.1351 178.4434 37 V 3.6240 7.6893 118.6050 65.8249 31.3838 178.0750 38 V 3.5555 7.8661 118.0915 65.7979 31.4136 177.8920 39 K 3.8862 8.0727 119.1319 59.5609 31.9232 178.6244 40 A 4.1503 8.0065 122.3138 54.6121 18.3465 179.7711 41 I 3.6157 7.6885 118.1408 64.7226 36.9664 178.0874 42 H 4.0425 7.9838 117.8077 59.2133 29.7401 176.9441 43 A 4.0122 8.0027 121.4020 54.3783 18.2811 178.5824 44 A 4.3124 7.6199 117.5389 51.3022 19.8939 177.0706 45 G 3.7842 7.5886 105.3325 45.4584 0.0000 174.6686 46 D 4.3803 7.2740 118.0273 52.0604 42.9356 175.2986 47 F 4.2271 8.9585 126.5563 59.5945 38.7349 177.1691 48 A 4.1637 8.3959 120.5345 54.5515 18.4237 178.8218 49 I 4.0241 7.6437 110.4828 62.1303 37.9402 177.6449 50 A 4.0351 7.7368 123.7330 54.8937 18.0354 177.2294 51 P 4.5983 0.0000 0.0000 63.7738 31.9174 176.5387 52 L 4.5475 8.2253 119.3844 54.7747 42.3587 175.8163 53 I 4.5474 7.3102 119.6842 61.1155 37.8064 175.7273 54 R 4.8563 9.0703 125.4719 54.8053 34.0985 173.9868 55 Y 4.4755 7.5739 117.8792 55.6168 40.7068 174.3684 56 S 4.2906 7.8780 116.5671 58.0905 64.2019 174.9222 57 D 4.4376 8.9840 121.0192 57.2996 40.9024 177.9144 58 G 4.0252 8.1995 105.4398 45.5027 0.0000 175.0646 59 F 4.1188 8.1461 122.0844 61.2757 39.4265 176.3617 60 F 4.1838 8.3874 118.0370 61.3558 39.4073 176.5450 61 K 3.9189 8.1704 117.3138 59.4152 31.8781 179.3913 62 S 4.1278 7.7017 109.2104 59.3787 62.1937 175.1228 *64 L 4.0003 8.0451 121.7688 54.7174 43.5847 178.6351 65 A 3.8979 7.9880 120.3536 55.0113 18.1445 179.7140 66 K 3.7887 7.7677 116.8892 59.7624 31.9615 179.7326 67 L 4.0609 7.5426 117.0622 57.3610 41.5720 179.0775 68 K 4.0753 7.8941 119.2843 59.3667 32.2740 178.2820 69 E 4.2463 8.2845 119.1951 56.4629 29.6460 176.6463 70 G 3.9702 8.8262 107.7318 45.9007 0.0000 171.3812 71 C 4.7511 9.5206 124.4533 56.9951 33.5062 172.1767 72 T 4.8462 7.9118 114.1797 62.3657 70.9548 173.7124 73 I 4.5218 9.0005 128.6691 60.1480 38.4532 175.1933 74 I 4.4570 8.6915 130.2822 60.6990 37.9280 175.2862 75 C 5.6524 9.3383 125.6790 57.5902 29.7535 173.9137 76 D 4.8050 8.7752 120.4364 54.6457 40.3098 176.2985 77 S 4.8139 7.7979 112.4678 56.2354 66.3785 174.5152 78 E 4.4741 8.4078 119.1533 56.5723 28.7989 179.6886 *80 V 3.9836 7.9723 119.7987 63.0192 33.5524 177.0850 81 R 3.8831 7.9217 118.7587 59.5342 29.6761 178.4528 82 A 4.1931 8.2934 119.5546 54.7777 18.4086 179.4068 83 G 3.9925 7.6793 103.3320 46.0169 0.0000 173.8904 84 I 3.9543 7.2448 122.1728 60.5216 36.2323 174.9295 85 Y 4.6982 7.2616 121.7723 55.5113 39.4078 176.3583 86 S 4.1519 7.7801 116.0044 59.0009 63.1728 174.1942 87 R 3.9556 8.8320 128.5235 59.2041 29.6633 177.0387 88 P 4.3951 0.0000 0.0000 65.5051 31.3273 178.8657 89 V 3.4703 7.6627 116.4305 66.1676 31.4520 178.0916 90 L 4.0814 7.9483 117.1250 57.5512 41.4475 179.0762 91 E 4.1771 8.3281 118.4379 58.1823 29.5694 177.4559 92 R 4.6585 7.6660 112.7641 55.5731 31.3561 175.2311 93 N 5.3420 8.3771 117.0741 51.4529 42.2285 173.7867 94 R 4.5497 8.4293 118.4831 54.6870 31.9306 175.0699 95 V 4.7074 8.3586 122.7314 61.3820 33.1846 174.9180 96 V 4.7248 8.9327 120.6594 59.9422 36.2569 174.4617 97 C 5.0841 8.5515 121.7943 58.7659 34.2184 172.9491 98 Y 4.4966 8.9142 122.9463 57.6903 37.9772 176.9878 99 L 3.9789 8.1850 124.4397 57.8217 42.0204 177.4099 100 N 4.7590 7.9082 112.3546 52.2795 38.0972 174.4290 101 D 4.3823 7.8934 120.1285 54.1309 41.8960 176.9957 102 V 3.5901 8.5653 125.2776 66.4343 31.3677 178.5824 103 R 4.0022 8.4987 116.4365 59.0095 29.8444 178.8951 104 S 4.3229 7.7813 114.9402 61.5190 63.1390 176.3982 105 K 4.2041 7.9605 120.7743 60.0199 31.9889 179.1167 106 E 4.1217 7.7054 115.1772 57.1291 29.2762 178.4226 *108 A 4.2788 8.0905 123.9837 52.5050 20.4118 179.5029 109 D 4.3616 8.2695 114.6774 57.5718 41.0696 178.5627 110 V 3.7582 7.4149 117.0051 64.4900 31.4181 176.9785 111 N 4.4842 8.1663 115.6855 52.8421 39.1582 174.6617 112 G 3.7955 8.2383 106.3835 46.8474 0.0000 172.7216 113 I 4.6046 7.4195 110.4484 58.2150 41.2021 174.5267 114 T 4.2600 8.0143 110.8737 61.0116 69.9741 175.8920 115 R 3.9046 8.5575 119.7715 59.4463 29.9224 179.1843 116 S 4.0855 8.1226 114.1889 61.7154 62.8760 176.2995 117 A 3.9660 7.7976 122.5827 55.3125 17.9976 179.4902 118 A 4.0292 8.1112 119.1351 55.2039 18.4936 179.9287 119 G 3.7156 8.6573 104.5044 48.1362 0.0000 175.6789 120 I 3.6287 7.7549 121.5763 64.0362 37.2401 178.1281 121 R 4.0213 7.8333 117.8603 59.5055 30.1365 178.3556 122 I 3.8788 8.0697 119.5948 64.1999 37.0244 178.5739 123 A 2.6093 7.7105 119.1152 52.9694 18.1878 178.9834 *125 Q 4.3175 7.9935 120.5416 57.4678 30.8731 176.7828 126 D 4.3137 8.3159 117.2149 56.6264 40.9122 175.9628 127 H 4.6955 7.9910 116.7528 53.7049 30.1944 173.4028 128 R 3.3723 8.3577 125.8325 58.7463 29.8096 176.0133 129 N 4.6129 7.7193 118.2593 52.8143 38.7726 173.8141 130 S 4.8248 8.0662 119.1223 56.4905 67.2777 173.0502 131 V 4.4243 8.4927 118.5522 61.1813 34.6720 173.9664 132 I 4.7751 8.5540 128.4171 59.7727 39.6169 174.7591 133 V 4.7397 8.9431 127.0333 61.3471 34.1808 174.1450 134 I 4.7547 9.0399 130.6326 59.6586 38.9568 176.4024 135 G 4.0351 9.5721 113.3789 46.1631 0.0000 172.5912 136 N 5.0813 8.3442 117.8550 54.4274 43.9092 173.4504 137 A 4.5859 8.8159 122.1503 50.7665 19.3806 176.3748 138 P 4.2806 0.0000 0.0000 66.1677 31.4512 178.9404 139 T 3.8674 7.9167 107.5441 64.2078 68.5702 176.4874 140 A 3.9397 7.9643 124.2215 54.9471 18.2545 179.1646 141 L 3.8683 7.8096 116.9802 58.4116 42.2911 178.5855 142 L 4.0965 7.8490 117.6003 57.8450 41.6212 178.9146 143 E 4.0863 8.1287 117.8828 59.0122 29.6172 179.3240 144 A 4.0811 7.7682 116.5026 52.8020 18.4003 177.6132 *146 R 3.9597 7.7626 118.5681 57.7778 31.6913 177.2553 *148 I 3.8563 7.7372 117.3891 60.9032 38.8767 177.9275 149 E 4.1467 7.8071 116.9071 58.8848 29.6148 178.4861 150 E 4.0007 8.1617 117.8719 59.1944 29.5096 177.8316 151 N 4.1188 7.4500 113.3208 53.1851 38.9117 175.9452 152 G 3.9566 8.0185 106.4133 46.0117 0.0000 174.9505 153 W 4.8613 7.3194 119.5290 56.0141 27.9277 176.9198 154 Y 4.4048 7.8126 114.7421 58.9786 37.9828 177.7092 155 D 4.5704 8.0569 119.4366 54.6961 40.1767 176.2792 156 I 4.1070 7.5052 121.9592 59.9221 37.7839 173.6745 157 P 5.1243 0.0000 0.0000 62.1493 33.8345 174.7901 158 I 5.0877 8.8759 121.0147 59.9103 41.1923 175.0911 159 V 4.1955 9.3446 128.2267 61.7497 31.2068 173.5916 160 G 3.9202 8.7148 113.5911 43.4986 0.0000 171.1571 161 I 4.7731 8.2140 133.3250 60.0247 37.0042 173.3564 162 P 4.9221 0.0000 0.0000 62.7209 33.0504 177.2859 163 V 4.2764 9.3231 120.6365 59.4866 34.1338 176.7575 164 G 3.6471 6.0458 105.1309 46.1650 0.0000 169.8139 165 F 4.7095 8.1053 114.2197 58.9191 40.7955 177.1267 166 I 4.0390 7.0805 114.9915 62.5408 37.6287 177.0748 167 N 4.2341 8.3029 117.3193 55.6783 38.8147 176.9554 168 A 3.9363 7.9371 121.3869 55.2199 18.7303 179.1824 169 S 4.2266 8.0174 111.9944 60.8352 62.3364 176.3532 170 K 3.9397 7.8415 121.5103 59.3622 31.7487 178.6615 171 A 3.9713 8.1476 121.1503 55.1860 18.3601 179.7958 172 K 3.9122 8.1506 116.7100 58.9047 31.8229 179.3291 173 E 3.9696 7.7621 119.3273 59.2755 29.7250 178.8437 174 G 3.6737 7.8644 105.5001 46.9169 0.0000 175.4907 175 L 3.7958 7.3486 122.5632 58.2451 41.9581 179.5961 176 V 3.2365 7.4841 111.9925 62.5884 31.2023 177.6175 177 S 4.6317 7.4049 112.6256 58.7211 63.3557 174.2931 178 S 4.7789 7.7276 117.8669 58.1523 65.0717 174.0429 179 H 4.8911 8.7930 118.1075 56.0310 28.8057 174.2642 180 I 4.6265 7.5350 120.1859 60.1265 38.4086 175.5165 181 E 4.6064 8.8639 124.3707 56.7727 30.7699 175.4726 182 Y 5.3782 8.6174 121.2079 56.5609 42.4561 172.8175 183 I 4.4165 8.2681 118.4562 59.7424 41.8084 173.8418 184 S 5.0181 9.4984 122.3292 57.6934 66.5849 172.2299 185 V 4.8586 8.1120 119.7127 60.9558 33.5915 175.2633 186 E 4.0166 9.0493 128.4594 57.8900 30.4143 177.5349 187 G 3.8466 8.7890 108.4063 44.5682 0.0000 173.1415 188 H 4.4974 8.7485 112.3534 57.5359 29.3642 175.7969 189 R 4.1648 8.2127 119.4606 56.3838 31.0531 176.2309 190 G 3.9965 7.6981 111.0128 47.5857 0.0000 172.7355 191 G 4.2644 8.6949 110.4807 44.8210 0.0000 174.7198 192 S 4.1134 8.9043 116.1800 61.0589 62.8071 175.3306 193 P 4.2570 0.0000 0.0000 65.6649 31.2504 178.7309 194 I 3.6880 7.6946 117.7090 64.2617 36.9362 178.0775 195 A 4.0058 7.9885 121.3799 55.2264 18.1608 179.5403 196 A 3.9483 8.3468 119.7936 55.2716 18.2318 179.8691 197 S 4.0281 8.1354 112.7980 61.7394 62.6672 176.8439 198 I 3.8468 7.4906 122.0496 64.0858 37.1720 178.3194 199 V 3.8236 7.6029 118.8458 66.2251 31.3508 177.6904 200 N 4.3293 8.3961 116.5401 56.3893 38.1150 177.4080 201 G 3.7972 8.3728 106.4223 47.9681 0.0000 175.1858 202 F 4.6211 8.6305 119.2545 59.4992 39.0923 177.7195 203 G 4.0047 8.2449 107.8163 47.2203 0.0000 175.5025 204 R 3.7969 7.7145 118.8726 57.9340 30.0235 177.2428 205 F 4.9361 7.6297 115.2097 57.2879 39.7681 175.4216 206 L 4.2736 7.8338 124.2175 54.9973 41.5501 176.5412 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 16 R 8.10 4.33 0.00 1.87 2.01 0.00 3.16 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 17 S 7.99 4.15 0.00 4.26 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 0.00 18 L 8.28 3.87 0.00 1.76 1.70 0.90 1.12 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 19 A 8.08 4.03 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 20 A 7.74 3.92 1.45 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 21 I 8.21 4.24 2.09 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 1.12 0.96 0.91 0.00 0.00 22 D 8.67 4.58 0.00 2.62 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 23 S 7.79 4.39 0.00 4.10 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 *25 I 7.35 3.93 1.91 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 1.52 0.78 0.96 0.00 0.00 26 D 8.59 4.42 0.00 2.76 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 27 P 0.00 4.28 0.00 2.08 2.14 0.00 3.74 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 2.04 2.15 0.00 28 D 7.84 4.37 0.00 3.00 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 29 I 7.94 4.08 2.03 0.00 0.00 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 1.47 0.60 1.02 0.00 0.00 30 S 8.27 4.60 0.00 3.89 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 31 G 8.40 3.62 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 0.00 0.00 0.00 32 P 0.00 4.01 0.00 0.49 0.49 0.00 2.71 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.56 0.00 *34 R 7.95 4.18 0.00 1.87 1.93 0.00 3.35 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 35 H 8.11 4.12 0.00 3.37 3.66 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.71 3.76 1.79 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 1.62 0.62 1.01 0.00 0.00 37 V 7.69 3.62 2.23 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 1.08 0.00 0.00 0.96 0.00 0.00 38 V 7.87 3.56 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 0.89 0.00 0.00 0.95 0.00 0.00 39 K 8.07 3.89 0.00 2.02 1.90 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.46 7.81 40 A 8.01 4.15 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 41 I 7.69 3.62 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 1.38 1.27 0.67 0.00 0.00 42 H 7.98 4.04 0.00 3.05 3.47 0.00 5.95 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.00 4.01 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 44 A 7.62 4.31 1.31 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 0.00 0.00 45 G 7.59 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 0.00 0.00 0.00 46 D 7.27 4.38 0.00 2.74 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 47 F 8.96 4.23 0.00 3.18 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 48 A 8.40 4.16 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 0.00 0.00 0.00 0.00 0.00 49 I 7.64 4.02 1.89 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 1.70 1.12 0.93 0.00 0.00 50 A 7.74 4.04 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 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.60 0.00 2.22 2.21 0.00 3.85 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 52 L 8.23 4.55 0.00 1.82 1.74 1.02 0.73 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 53 I 7.31 4.55 1.96 0.00 0.00 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 1.27 0.75 1.05 0.00 0.00 54 R 9.07 4.86 0.00 1.84 1.90 0.00 3.34 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 55 Y 7.57 4.48 0.00 2.59 2.50 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 0.00 56 S 7.88 4.29 0.00 4.05 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 57 D 8.98 4.44 0.00 2.74 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 58 G 8.20 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 59 F 8.15 4.12 0.00 3.13 3.34 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 60 F 8.39 4.18 0.00 3.03 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 61 K 8.17 3.92 0.00 1.80 1.83 0.00 1.79 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.69 1.52 7.81 62 S 7.70 4.13 0.00 3.89 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 *64 L 8.05 4.00 0.00 1.15 1.41 1.04 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.99 3.90 1.30 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 0.00 0.00 66 K 7.77 3.79 0.00 1.61 1.75 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.50 7.81 67 L 7.54 4.06 0.00 1.48 1.65 0.56 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.89 4.08 0.00 1.84 1.96 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 69 E 8.28 4.25 0.00 1.95 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 2.32 0.00 70 G 8.83 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 0.00 0.00 0.00 71 C 9.52 4.75 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 72 T 7.91 4.85 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 1.05 0.00 0.00 73 I 9.00 4.52 1.84 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 1.16 0.65 0.88 0.00 0.00 74 I 8.69 4.46 1.85 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 1.17 0.70 0.87 0.00 0.00 75 C 9.34 5.65 0.00 2.90 2.85 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 76 D 8.78 4.81 0.00 2.69 2.80 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 77 S 7.80 4.81 0.00 3.97 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 87 R 8.83 3.96 0.00 1.92 2.00 0.00 3.21 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 88 P 0.00 4.40 0.00 2.15 2.10 0.00 3.55 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 2.10 2.14 0.00 89 V 7.66 3.47 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 1.04 0.00 0.00 0.94 0.00 0.00 90 L 7.95 4.08 0.00 1.67 1.73 1.02 1.19 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 91 E 8.33 4.18 0.00 2.13 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 0.00 2.35 2.49 0.00 92 R 7.67 4.66 0.00 1.70 2.09 0.00 2.86 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 93 N 8.38 5.34 0.00 2.69 2.67 0.00 0.00 6.85 6.96 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 94 R 8.43 4.55 0.00 1.89 2.01 0.00 2.55 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.49 0.00 95 V 8.36 4.71 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 0.83 0.00 0.00 0.92 0.00 0.00 96 V 8.93 4.72 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 0.67 0.00 0.00 1.07 0.00 0.00 97 C 8.55 5.08 0.00 2.98 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 98 Y 8.91 4.50 0.00 3.16 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 99 L 8.19 3.98 0.00 1.62 1.75 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.91 4.76 0.00 2.85 2.89 0.00 0.00 5.96 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 0.00 101 D 7.89 4.38 0.00 2.58 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 0.00 102 V 8.57 3.59 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 1.05 0.00 0.00 0.92 0.00 0.00 103 R 8.50 4.00 0.00 1.98 2.05 0.00 3.28 0.00 0.00 3.26 7.64 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 139 T 7.92 3.87 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 0.00 140 A 7.96 3.94 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 0.00 141 L 7.81 3.87 0.00 1.62 1.89 0.91 0.94 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 0.00 142 L 7.85 4.10 0.00 1.78 1.71 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.13 4.09 0.00 2.05 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 2.46 2.35 0.00 144 A 7.77 4.08 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 *146 R 7.76 3.96 0.00 1.97 2.04 0.00 3.17 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 *148 I 7.74 3.86 1.70 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 1.46 0.70 0.40 0.00 0.00 149 E 7.81 4.15 0.00 1.90 2.04 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 2.50 2.26 0.00 150 E 8.16 4.00 0.00 1.93 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 2.24 2.23 0.00 151 N 7.45 4.12 0.00 1.44 1.47 0.00 0.00 6.95 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 0.00 152 G 8.02 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 0.00 153 W 7.32 4.86 0.00 3.32 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 0.00 154 Y 7.81 4.40 0.00 3.20 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 0.00 155 D 8.06 4.57 0.00 2.79 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 0.00 156 I 7.51 4.11 2.03 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.59 1.01 0.00 0.00 157 P 0.00 5.12 0.00 2.19 2.17 0.00 3.79 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.86 0.00 158 I 8.88 5.09 2.01 0.00 0.00 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 1.18 0.90 0.99 0.00 0.00 159 V 9.34 4.20 2.15 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 1.02 0.00 0.00 1.11 0.00 0.00 160 G 8.71 3.92 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 0.00 0.00 0.00 161 I 8.21 4.77 1.88 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 1.25 1.12 0.92 0.00 0.00 162 P 0.00 4.92 0.00 2.05 2.03 0.00 3.52 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 163 V 9.32 4.28 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 0.64 0.00 0.00 0.76 0.00 0.00 164 G 6.05 3.65 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 0.00 0.00 0.00 165 F 8.11 4.71 0.00 3.05 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 0.00 166 I 7.08 4.04 1.91 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 1.69 1.15 0.97 0.00 0.00 167 N 8.30 4.23 0.00 2.77 2.95 0.00 0.00 6.75 7.08 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 0.00 168 A 7.94 3.94 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 169 S 8.02 4.23 0.00 3.92 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 0.00 170 K 7.84 3.94 0.00 1.87 1.79 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.45 7.81 171 A 8.15 3.97 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 0.00 172 K 8.15 3.91 0.00 1.81 1.83 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.59 7.81 173 E 7.76 3.97 0.00 2.23 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 0.00 2.30 2.30 0.00 174 G 7.86 3.67 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 0.00 0.00 0.00 175 L 7.35 3.80 0.00 1.57 1.33 0.84 0.73 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 0.00 176 V 7.48 3.24 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 0.94 0.00 0.00 0.91 0.00 0.00 177 S 7.40 4.63 0.00 3.96 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 0.00 178 S 7.73 4.78 0.00 4.21 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 0.00 179 H 8.79 4.89 0.00 3.05 3.18 0.00 5.69 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 I 7.54 4.63 2.02 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 1.44 0.73 1.05 0.00 0.00 181 E 8.86 4.61 0.00 2.07 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 2.54 2.35 0.00 182 Y 8.62 5.38 0.00 3.21 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 0.00 183 I 8.27 4.42 0.56 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.40 0.65 0.00 0.00 184 S 9.50 5.02 0.00 4.02 3.82 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 0.00 185 V 8.11 4.86 2.22 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 0.90 0.00 0.00 0.96 0.00 0.00 186 E 9.05 4.02 0.00 1.91 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 2.36 2.30 0.00 187 G 8.79 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 0.00 0.00 0.00 188 H 8.75 4.50 0.00 3.47 3.58 0.00 5.49 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 R 8.21 4.16 0.00 1.86 1.92 0.00 3.22 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.62 0.00 190 G 7.70 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 0.00 191 G 8.69 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 0.00 0.00 0.00 0.00 192 S 8.90 4.11 0.00 3.88 3.94 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 0.00 193 P 0.00 4.26 0.00 2.14 2.10 0.00 3.53 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 194 I 7.69 3.69 1.98 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 1.56 1.13 0.92 0.00 0.00 195 A 7.99 4.01 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 0.00 196 A 8.35 3.95 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 0.00 197 S 8.14 4.03 0.00 4.10 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 0.00 198 I 7.49 3.85 2.16 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.79 1.24 0.00 0.00 199 V 7.60 3.82 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 0.99 0.00 0.00 0.98 0.00 0.00 200 N 8.40 4.33 0.00 2.80 2.66 0.00 0.00 6.96 7.76 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 0.00 201 G 8.37 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 0.00 202 F 8.63 4.62 0.00 3.34 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 0.00 203 G 8.24 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 0.00 204 R 7.71 3.80 0.00 1.41 1.03 0.00 2.44 0.00 0.00 2.89 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.30 0.00 205 F 7.63 4.94 0.00 3.12 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 0.00 206 L 7.83 4.27 0.00 1.70 1.59 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.