NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6638 8.2076 120.1969 53.3047 41.2059 175.7848 3 P 4.0418 0.0000 0.0000 64.3603 31.4236 176.6349 4 F 4.2745 8.5387 118.7210 57.1446 40.4957 178.5109 5 A 4.0369 7.8504 123.9716 54.1623 18.0741 178.6001 6 S 4.6779 7.9365 106.0447 58.1441 63.3093 174.4124 7 L 4.4108 8.1373 121.5181 55.3923 42.6383 178.2216 8 A 3.8401 8.2385 122.1752 55.5312 18.4017 179.2090 9 E 3.8576 8.4498 112.9040 59.4247 29.7491 178.4641 10 A 4.6638 7.4937 119.0995 52.1435 19.2371 177.8653 11 Y 4.0660 7.7739 121.6097 61.3193 39.0387 177.3895 12 E 3.8939 7.9295 116.3558 55.6589 30.1216 177.1793 13 A 4.0064 7.7299 123.2692 55.1937 18.4699 179.7708 14 W 4.2372 8.0858 126.0927 60.8844 30.2354 177.3775 15 Y 4.3294 7.5222 115.9781 60.2456 36.9644 178.3645 16 G 3.7291 8.0316 106.5953 46.2062 0.0000 174.4580 17 T 4.2094 7.1534 111.0407 60.4937 70.0026 173.5484 18 P 4.4645 0.0000 0.0000 66.0166 31.2753 178.7104 19 L 3.3036 7.8944 118.2375 57.9321 42.0775 178.9747 20 G 2.0000 7.1761 105.1627 47.0199 0.0000 175.3969 21 A 4.0376 8.3831 125.4842 54.3783 18.2774 179.1805 22 Y 3.8144 7.7093 117.9667 60.6467 38.8552 178.1885 23 V 3.4445 7.9044 119.4915 66.1678 31.7121 177.9020 24 I 3.4595 7.7943 118.3077 63.6455 37.5893 177.7771 25 A 3.9121 7.7680 121.8641 55.1904 18.2689 179.4753 26 E 3.8087 7.9883 117.2746 59.4382 29.3632 179.5222 27 E 4.0284 8.3618 118.7810 59.3488 29.6007 178.9412 28 E 3.9767 8.4150 119.3807 59.3338 29.6513 178.7135 29 R 3.8676 8.0574 118.5043 59.4536 29.8732 178.3600 30 A 3.9573 7.8565 119.3596 54.9841 18.6080 178.9933 31 L 3.9453 8.1743 119.2329 58.3201 41.8367 179.3211 32 K 3.9809 8.6686 118.8152 59.3939 31.7485 179.2554 33 G 3.7584 7.7270 104.2767 46.4802 0.0000 174.5274 34 L 4.6788 7.6490 119.2295 53.6820 43.2397 176.5659 35 L 4.0258 7.0876 118.4061 54.3689 41.6225 175.3287 36 P 4.7365 0.0000 0.0000 60.5326 33.0602 173.7680 37 P 4.4022 0.0000 0.0000 62.4681 31.6963 176.1342 38 G 4.0765 7.8287 109.1487 45.9537 0.0000 172.1263 39 E 4.6743 9.6512 119.4687 57.0785 32.0328 175.5736 40 S 5.4023 8.2859 113.7304 56.3268 65.8406 172.5405 41 L 4.9134 9.3135 125.3444 52.9300 45.4586 174.6267 42 L 4.5113 8.2440 126.9521 52.9903 44.4195 174.3721 43 E 4.8704 8.6495 128.1898 54.4416 31.4718 174.6560 44 V 4.0105 8.3291 128.3425 62.3340 32.3539 175.9363 45 G 3.6044 9.1463 117.4328 46.6376 0.0000 174.0157 46 A 4.4485 7.4360 120.2944 52.0237 20.2915 180.8350 47 G 3.6284 8.1355 105.4298 46.8615 0.0000 174.4147 48 T 4.1396 8.5215 115.2932 60.9268 69.0202 175.1433 49 G 4.2332 9.2422 110.6432 47.4989 0.0000 175.6065 50 Y 3.7496 8.2271 122.4147 60.2710 38.5048 177.8487 51 W 4.6352 7.8921 118.9698 59.3004 29.2206 178.3178 52 L 4.0113 8.1110 118.0889 57.9591 41.1912 179.3352 53 R 4.2723 7.8546 113.9723 58.4087 29.6828 178.1488 54 R 4.1856 7.0535 117.9453 56.5143 30.9700 176.9052 55 L 4.3063 7.6476 119.0323 53.7816 42.2374 175.4942 56 P 4.3451 0.0000 0.0000 64.4862 31.9636 176.3634 57 Y 4.1452 7.6452 116.4993 58.1519 38.1287 174.9008 58 P 4.4101 0.0000 0.0000 64.8236 32.6051 175.6847 59 Q 4.5556 8.5071 121.9523 54.2192 31.2070 174.3133 60 K 5.0216 8.5633 125.9370 54.4598 35.7368 175.5023 61 V 4.6796 8.6811 123.9751 60.8985 35.0861 174.1464 62 G 3.6360 8.5247 115.0179 44.0940 0.0000 171.7489 63 V 4.9010 8.4045 125.9097 61.2747 33.5004 174.3034 64 E 4.7377 8.9718 129.2029 54.1888 32.1993 174.2329 65 P 3.4706 0.0000 0.0000 64.7162 31.9059 176.5405 66 S 4.1746 8.1834 114.6588 57.6105 62.5367 173.3639 67 E 3.9459 8.9840 127.9724 59.6399 29.0774 179.2245 68 A 4.0880 7.8789 116.8589 53.4946 18.4114 178.2766 *70 L 3.8843 7.9830 121.0048 55.7218 43.6326 178.6508 71 A 3.8096 8.0400 120.4556 55.1954 18.1497 179.9027 72 V 3.4780 7.2793 115.5203 65.8921 31.6810 178.1181 73 G 3.4050 7.6103 105.2464 47.9513 0.0000 175.6003 74 R 2.9975 6.1061 117.0035 57.7129 29.2893 178.6737 75 R 3.8964 6.6347 119.5690 59.5288 30.2439 178.3452 76 R 4.1151 7.8672 116.0677 57.5140 31.4570 176.6751 77 A 5.1328 8.7435 120.7711 48.9610 19.0622 175.1656 78 P 4.5026 0.0000 0.0000 65.6007 31.7017 178.2893 79 E 4.0023 8.4153 115.9429 58.0825 29.6117 176.1237 80 A 4.6429 7.7646 121.1035 50.8174 21.5010 176.4512 81 T 4.4268 8.3117 116.2112 62.4002 70.0287 174.2678 82 W 4.9919 8.9498 127.0571 55.2287 30.7568 175.7623 83 V 4.3588 9.0380 125.6387 61.0410 33.6882 174.6045 84 R 4.9082 8.9350 128.2970 55.1391 29.8453 174.4737 85 A 4.5576 7.8354 126.5386 51.0552 22.8053 174.5750 86 W 4.5963 8.8410 117.8709 54.6409 31.5068 177.9874 87 G 3.8023 8.8739 110.2761 48.7970 0.0000 174.9673 88 E 4.1041 8.4059 118.1331 58.7368 29.6592 177.0601 89 A 4.7535 7.7871 120.6823 50.2363 19.3405 173.4897 90 L 4.2255 9.5929 120.8811 53.6066 42.7715 176.9719 91 P 4.4928 0.0000 0.0000 62.3849 30.6464 175.9762 92 F 5.0317 7.3766 115.0094 55.7097 43.2448 173.6298 93 P 4.5784 0.0000 0.0000 61.9094 32.1047 176.2991 94 G 3.6943 8.4283 107.8257 46.2166 0.0000 173.0281 95 E 3.9798 8.8521 118.0513 56.5495 27.2438 175.4189 96 S 4.5546 8.5186 110.1272 57.8712 65.2745 175.8712 97 F 5.3958 7.8057 118.6034 55.0017 42.4401 175.4887 98 D 4.5172 8.7972 120.4122 56.1905 42.5619 176.7535 99 V 4.8644 7.8889 117.4077 61.0218 35.3725 174.3238 100 V 4.5470 8.7471 127.1983 60.9057 34.4162 173.6173 101 L 5.0204 8.8439 130.2140 53.4732 44.7169 175.1584 102 L 5.0027 8.9720 125.2475 52.9217 44.2270 174.0919 103 F 4.6643 8.8785 125.7067 56.2387 40.4781 175.5421 104 T 4.2197 8.1422 119.6138 62.4408 68.4329 172.8697 105 T 4.6710 7.6554 117.7814 65.9090 70.9841 177.2493 106 L 4.3027 8.0053 119.8073 57.4806 41.9462 178.2490 107 E 4.0050 8.0548 116.9437 57.6029 29.4408 177.7984 108 F 4.9447 8.1674 114.9353 56.8609 40.8089 175.6171 109 V 4.0323 7.7422 113.7705 61.2966 32.0338 175.3430 110 E 4.2185 8.9109 121.2192 57.6946 30.0784 176.1453 111 D 4.5076 7.9410 117.2668 51.5638 43.7192 175.4826 112 V 3.5202 8.3060 127.0278 66.2546 31.8406 177.4827 113 E 3.9318 8.1347 117.8370 59.3281 29.1936 179.2982 114 R 3.8529 8.7765 119.1302 59.4725 30.2156 178.6619 115 V 3.7706 7.7597 118.0581 66.1919 31.4876 178.0161 116 L 3.9798 8.0862 118.6685 57.4630 41.3907 179.5109 117 L 3.9523 7.8885 119.0970 57.8232 41.6127 179.2293 118 E 3.9844 8.4803 118.5692 59.4429 29.1898 179.2291 119 A 3.9912 7.8912 119.5918 55.3383 18.1960 179.3965 120 R 4.0206 8.0150 116.9815 59.0639 30.0650 178.7629 121 R 3.9028 8.1550 118.8539 59.4929 30.1542 178.7370 122 V 3.8242 7.9508 117.5431 64.2792 31.3807 175.0948 123 L 4.6980 7.1941 121.2960 54.6593 43.3291 176.7449 124 R 4.3200 9.0091 122.9464 54.7208 31.7149 173.5259 125 P 4.1302 0.0000 0.0000 63.4835 31.3660 176.4891 126 G 3.9030 9.1331 112.1376 45.9255 0.0000 173.4894 127 G 3.8649 8.4837 107.2311 46.1260 0.0000 172.8830 128 A 5.0235 8.7746 124.2602 50.4159 20.8588 175.9204 129 L 4.9017 9.2900 126.0272 53.5151 44.3089 175.1501 130 V 4.9531 8.7653 127.3249 61.2187 33.7834 174.3301 131 V 4.8737 9.3195 128.3787 61.0279 34.5336 174.3151 132 G 4.1628 9.4230 114.4231 44.4604 0.0000 172.0553 133 V 4.9984 8.5053 116.6576 59.5340 36.7936 175.1824 134 L 5.4638 9.0336 123.1561 52.7965 41.4508 175.5515 135 E 4.0007 8.8373 123.9339 56.3168 29.7742 177.6772 136 A 4.0723 9.0825 131.2279 54.9990 18.6018 177.8044 137 L 4.4216 7.8499 113.6381 54.7420 42.2082 176.6067 138 S 4.7436 7.7579 114.9481 56.1747 64.7545 173.5358 139 P 4.1760 0.0000 0.0000 65.7075 30.6220 178.7378 140 W 3.4020 8.1083 118.5597 59.3121 28.8768 178.1637 141 A 3.5703 7.9753 120.5746 54.7628 17.7194 179.4115 142 A 3.6789 7.5409 118.7429 55.1173 18.3920 179.4307 143 L 3.5757 7.2608 118.5697 58.5122 42.1092 178.8651 144 Y 3.8583 7.4027 116.9684 60.8537 37.6167 178.6728 145 R 4.0553 8.2296 119.4213 59.1851 30.1600 179.0775 146 R 3.8506 7.8447 118.3693 59.5153 30.0536 178.4788 147 L 4.1681 8.3369 119.3355 57.8321 41.4888 179.5623 148 G 3.8804 8.8004 106.3254 48.0063 0.0000 175.5640 149 E 3.8204 8.2513 120.2750 58.2330 29.5684 178.1458 150 K 4.3151 7.8317 118.5114 56.3161 32.2683 177.1912 151 G 3.9233 8.6347 106.2608 46.2294 0.0000 173.8891 152 V 3.9157 8.0857 120.6439 62.0879 32.2347 175.4343 153 L 4.5444 8.2350 126.7721 53.6440 42.7954 175.3865 154 P 4.2212 0.0000 0.0000 62.7250 31.5205 177.6491 155 W 4.7775 7.4628 119.8754 60.4922 28.7241 177.7526 156 A 4.3669 8.1567 119.6934 54.2759 17.7161 178.1166 157 Q 4.5077 8.0218 114.4882 55.6735 29.2687 175.4634 158 A 4.3481 7.7461 121.3720 50.8036 20.6321 177.5020 159 R 4.5627 7.6409 115.3631 54.2768 32.8014 174.3558 160 F 4.9176 8.7071 119.4375 55.7998 41.3467 174.8509 161 L 5.1234 8.7069 121.7818 52.9479 45.1790 175.3978 162 A 5.1147 9.6733 125.0506 49.8787 21.7744 177.9110 163 R 3.5615 9.8699 118.2807 59.5234 28.8798 179.1862 164 E 3.9392 8.0210 118.6448 59.4613 29.5477 178.8105 165 D 4.3794 8.3302 119.1973 57.1621 40.7578 178.8599 166 L 3.8788 7.8372 118.9410 57.9398 41.8491 179.4587 167 K 4.4469 8.6336 119.4294 59.0150 31.7210 179.2528 168 A 4.0230 7.9340 120.3454 54.7491 18.3151 179.1058 169 L 4.1781 7.5611 116.3065 56.6186 42.2809 178.3728 170 L 4.3197 8.4579 116.2553 54.5027 42.8127 177.4000 171 G 3.8717 8.3996 108.0451 43.5157 0.0000 170.2260 172 P 4.6279 0.0000 0.0000 61.7360 31.3400 174.5150 173 P 3.3310 0.0000 0.0000 62.0592 31.6318 176.1938 174 E 4.1032 8.3797 121.8345 59.0414 30.2327 176.2672 175 A 4.5773 7.1726 118.7098 51.0580 22.6025 174.7619 176 E 4.8649 8.4600 117.7316 55.0437 34.2340 174.9109 177 G 4.3286 8.6929 107.1713 45.6390 0.0000 171.8041 178 E 5.3947 8.5258 116.7527 55.3478 32.4266 174.1100 179 A 4.4712 8.7061 122.0557 51.8388 23.5133 173.0148 180 V 3.8059 8.6185 122.8096 63.2039 29.0117 172.0329 181 F 4.5176 9.9248 123.8677 57.1950 39.9849 176.5522 182 L 4.6752 8.3347 120.3031 55.3759 41.4160 175.7398 183 A 4.6434 8.1802 121.5206 49.6343 20.9834 176.0969 184 P 3.1656 0.0000 0.0000 65.1019 31.1499 177.4708 185 E 4.5120 7.6077 114.7843 55.8384 29.7444 175.9707 186 A 4.2153 7.8978 121.8094 52.6638 19.0075 177.6131 187 H 5.1386 8.4039 117.1961 53.0810 31.4134 172.9381 188 P 3.8005 0.0000 0.0000 60.9689 32.2237 174.2676 189 P 4.0035 0.0000 0.0000 63.0012 31.4470 176.8083 190 Y 4.1734 8.1142 121.7362 61.0605 37.5025 178.6206 191 E 4.2154 8.1614 119.1117 59.2033 29.5742 178.9754 192 E 3.9240 8.1420 118.1023 59.4450 29.5454 178.8971 193 A 4.0493 8.1030 120.2312 55.4376 18.3433 179.0404 194 D 4.5252 8.6154 116.5528 57.7209 41.4339 178.4600 195 L 4.0016 8.2858 119.4530 57.6224 41.5413 179.3593 196 A 4.0869 8.6045 121.3290 55.2777 18.4748 179.9163 197 G 4.0528 8.5023 105.8452 47.2470 0.0000 175.9364 198 R 3.7260 7.7938 120.3985 59.4447 29.9434 178.6433 199 R 3.8273 7.7365 116.7455 59.2333 30.1050 177.7405 200 A 4.2338 8.0445 119.0378 53.0817 18.5157 178.2194 201 G 3.9633 8.0783 105.7214 44.8915 0.0000 173.7395 202 N 4.4851 7.7380 116.7719 53.3647 39.0874 175.3114 203 R 4.3144 8.3894 121.1599 55.0575 31.0197 174.8333 204 P 4.0094 0.0000 0.0000 62.2532 32.2411 176.3030 205 A 4.1675 8.5872 121.4504 53.8904 19.6646 177.2734 206 L 5.0880 8.0060 117.8477 53.4371 45.2278 174.8282 207 Y 5.1535 8.8489 127.4371 55.8149 41.4365 174.1583 208 L 5.0255 8.2938 125.7025 52.7398 45.5930 175.7772 209 G 3.8081 8.8689 109.3346 44.0783 0.0000 171.1628 210 R 5.1941 7.8656 122.7656 53.9710 32.9597 174.2991 211 W 5.1042 9.8210 126.2032 54.8670 32.8270 176.1783 212 R 5.2355 8.6200 120.8652 55.6870 30.1096 175.7039 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 D 8.21 4.66 0.00 2.84 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.04 0.00 1.67 2.26 0.00 3.84 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 1.57 1.92 0.00 4 F 8.54 4.27 0.00 3.15 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 5 A 7.85 4.04 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 6 S 7.94 4.68 0.00 3.95 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 7 L 8.14 4.41 0.00 1.87 1.86 0.66 0.84 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 8 A 8.24 3.84 1.27 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 0.00 0.00 9 E 8.45 3.86 0.00 1.97 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 2.31 2.26 0.00 10 A 7.49 4.66 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 11 Y 7.77 4.07 0.00 3.15 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 12 E 7.93 3.89 0.00 2.12 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 0.00 2.56 2.61 0.00 13 A 7.73 4.01 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 14 W 8.09 4.24 0.00 3.29 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 15 Y 7.52 4.33 0.00 3.15 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 16 G 8.03 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 17 T 7.15 4.21 4.29 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 1.31 0.00 0.00 18 P 0.00 4.46 0.00 2.39 2.38 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 19 L 7.89 3.30 0.00 1.70 1.76 0.58 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.38 4.04 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 22 Y 7.71 3.81 0.00 3.05 2.92 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 23 V 7.90 3.44 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 0.98 0.00 0.00 1.13 0.00 0.00 24 I 7.79 3.46 1.10 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.47 0.69 0.00 0.00 25 A 7.77 3.91 1.27 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 0.00 0.00 26 E 7.99 3.81 0.00 1.85 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 2.05 0.00 27 E 8.36 4.03 0.00 2.25 2.34 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 2.39 2.59 0.00 28 E 8.42 3.98 0.00 2.50 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 0.00 2.39 2.50 0.00 29 R 8.06 3.87 0.00 2.05 2.05 0.00 3.14 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 30 A 7.86 3.96 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 31 L 8.17 3.95 0.00 1.60 1.65 0.77 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.67 3.98 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8.17 4.94 0.00 3.10 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.74 4.03 2.35 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 0.83 0.00 0.00 1.01 0.00 0.00 110 E 8.91 4.22 0.00 1.99 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 2.27 2.24 0.00 111 D 7.94 4.51 0.00 2.69 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.31 3.52 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 0.97 0.00 0.00 0.91 0.00 0.00 113 E 8.13 3.93 0.00 2.03 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 0.00 2.36 2.35 0.00 114 R 8.78 3.85 0.00 2.11 2.08 0.00 3.10 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 1.64 1.64 0.00 115 V 7.76 3.77 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 0.99 0.00 0.00 1.01 0.00 0.00 116 L 8.09 3.98 0.00 1.83 1.58 0.78 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.89 3.95 0.00 2.01 1.71 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.48 3.98 0.00 2.20 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 2.36 2.68 0.00 119 A 7.89 3.99 1.33 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 0.00 0.00 120 R 8.02 4.02 0.00 1.95 2.05 0.00 3.17 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 121 R 8.16 3.90 0.00 1.95 2.11 0.00 3.18 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 122 V 7.95 3.82 2.40 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 1.29 0.00 0.00 1.22 0.00 0.00 123 L 7.19 4.70 0.00 2.18 1.68 1.07 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 124 R 9.01 4.32 0.00 1.92 2.06 0.00 3.06 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.61 0.00 125 P 0.00 4.13 0.00 1.96 2.09 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.31 0.00 126 G 9.13 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 0.00 0.00 0.00 127 G 8.48 3.86 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 0.00 0.00 0.00 128 A 8.77 5.02 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 0.00 129 L 9.29 4.90 0.00 1.76 1.85 0.96 0.56 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 0.00 130 V 8.77 4.95 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 0.93 0.00 0.00 0.93 0.00 0.00 131 V 9.32 4.87 2.38 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 0.93 0.00 0.00 0.91 0.00 0.00 132 G 9.42 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 0.00 0.00 0.00 133 V 8.51 5.00 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 0.80 0.00 0.00 1.10 0.00 0.00 134 L 9.03 5.46 0.00 1.87 1.92 1.36 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.84 4.00 0.00 2.15 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 0.00 2.40 2.44 0.00 136 A 9.08 4.07 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 0.00 137 L 7.85 4.42 0.00 1.64 1.70 0.91 0.84 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 0.00 138 S 7.76 4.74 0.00 4.28 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 0.00 139 P 0.00 4.18 0.00 2.03 2.27 0.00 3.79 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 2.12 2.09 0.00 140 W 8.11 3.40 0.00 3.35 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 0.00 141 A 7.98 3.57 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.54 3.68 1.20 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 0.00 0.00 143 L 7.26 3.58 0.00 1.28 1.10 0.70 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 144 Y 7.40 3.86 0.00 2.43 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 0.00 145 R 8.23 4.06 0.00 1.84 1.93 0.00 3.05 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.18 0.00 146 R 7.84 3.85 0.00 1.88 2.00 0.00 3.04 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 147 L 8.34 4.17 0.00 1.94 1.91 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.80 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 0.00 149 E 8.25 3.82 0.00 2.18 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 0.00 2.59 2.49 0.00 150 K 7.83 4.32 0.00 2.01 2.07 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.51 7.81 151 G 8.63 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 0.00 152 V 8.09 3.92 2.38 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 1.08 0.00 0.00 1.05 0.00 0.00 153 L 8.23 4.54 0.00 1.54 1.44 0.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 154 P 0.00 4.22 0.00 1.08 0.68 0.00 2.45 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.97 0.00 155 W 7.46 4.78 0.00 3.66 3.60 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 0.00 156 A 8.16 4.37 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 0.00 157 Q 8.02 4.51 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 158 A 7.75 4.35 0.95 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 0.00 0.00 159 R 7.64 4.56 0.00 1.77 1.85 0.00 2.72 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.44 0.00 160 F 8.71 4.92 0.00 3.01 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 0.00 161 L 8.71 5.12 0.00 1.61 1.55 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 162 A 9.67 5.11 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 0.00 163 R 9.87 3.56 0.00 0.67 0.96 0.00 2.63 0.00 0.00 2.79 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.43 0.00 164 E 8.02 3.94 0.00 2.05 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 0.00 2.38 2.44 0.00 165 D 8.33 4.38 0.00 2.77 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 7.84 3.88 0.00 2.08 1.82 1.33 0.93 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 0.00 167 K 8.63 4.45 0.00 2.01 1.99 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.73 1.69 7.81 168 A 7.93 4.02 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 0.00 169 L 7.56 4.18 0.00 1.66 1.60 0.86 0.90 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 0.00 170 L 8.46 4.32 0.00 0.35 0.66 -0.85 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 171 G 8.40 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 0.00 0.00 0.00 172 P 0.00 4.63 0.00 2.23 2.16 0.00 3.90 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 2.07 2.01 0.00 173 P 0.00 3.33 0.00 1.66 0.49 0.00 3.82 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 1.83 1.89 0.00 174 E 8.38 4.10 0.00 1.92 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 0.00 2.23 2.21 0.00 175 A 7.17 4.58 1.09 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 0.00 0.00 176 E 8.46 4.86 0.00 1.78 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 2.20 0.00 177 G 8.69 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 0.00 0.00 0.00 0.00 178 E 8.53 5.39 0.00 1.92 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 0.00 2.32 2.58 0.00 179 A 8.71 4.47 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 0.00 180 V 8.62 3.81 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 0.94 0.00 0.00 0.82 0.00 0.00 181 F 9.92 4.52 0.00 3.42 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 L 8.33 4.68 0.00 1.90 1.99 1.33 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 183 A 8.18 4.64 1.17 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 0.00 0.00 184 P 0.00 3.17 0.00 1.38 1.11 0.00 3.03 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.44 0.00 185 E 7.61 4.51 0.00 1.84 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 186 A 7.90 4.22 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 0.00 187 H 8.40 5.14 0.00 3.08 3.13 0.00 5.72 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 P 0.00 3.80 0.00 1.66 0.49 0.00 3.65 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 189 P 0.00 4.00 0.00 2.18 2.17 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.94 0.00 190 Y 8.11 4.17 0.00 2.51 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 0.00 191 E 8.16 4.22 0.00 2.08 2.10 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 2.70 2.58 0.00 192 E 8.14 3.92 0.00 2.13 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 0.00 2.33 2.31 0.00 193 A 8.10 4.05 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 0.00 194 D 8.62 4.53 0.00 3.14 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 0.00 195 L 8.29 4.00 0.00 1.87 1.71 0.95 1.04 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 0.00 196 A 8.60 4.09 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 0.00 197 G 8.50 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 0.00 198 R 7.79 3.73 0.00 1.57 1.79 0.00 2.74 0.00 0.00 2.84 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 199 R 7.74 3.83 0.00 1.82 2.10 0.00 3.35 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 200 A 8.04 4.23 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 0.00 201 G 8.08 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 0.00 202 N 7.74 4.49 0.00 3.14 2.93 0.00 0.00 6.94 7.40 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 0.00 203 R 8.39 4.31 0.00 1.96 1.88 0.00 3.43 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 204 P 0.00 4.01 0.00 1.99 0.89 0.00 3.78 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 1.94 2.11 0.00 205 A 8.59 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 L 8.01 5.09 0.00 1.83 1.42 0.60 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 207 Y 8.85 5.15 0.00 3.29 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 0.00 208 L 8.29 5.03 0.00 1.37 1.25 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 209 G 8.87 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 0.00 210 R 7.87 5.19 0.00 1.74 1.56 0.00 3.02 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 211 W 9.82 5.10 0.00 3.23 2.92 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 0.00 212 R 8.62 5.24 0.00 1.80 1.82 0.00 3.55 0.00 0.00 3.94 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.