NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.3137 8.2649 123.5780 51.8909 19.9490 176.4267 6 H 4.2318 8.5628 117.6408 52.7513 29.4113 173.3861 7 P 4.3994 0.0000 0.0000 63.1465 32.4392 175.9887 8 I 4.2364 8.1814 112.9206 61.4898 38.4810 175.1580 9 S 4.7394 7.3459 113.6317 57.3000 64.9124 174.1245 10 R 3.9298 9.1514 125.6510 58.6394 29.9846 176.3567 11 Y 4.3666 7.5229 114.6367 55.2413 39.7256 173.3560 12 P 4.2616 0.0000 0.0000 62.7430 31.8115 176.7062 13 V 4.2460 8.0902 122.2724 60.1494 31.9266 173.6776 14 P 4.4487 0.0000 0.0000 62.5737 31.9550 176.2760 15 E 4.2707 8.4776 119.6423 55.9316 30.6627 177.8707 16 L 3.9098 8.7141 121.4022 58.1517 41.8986 179.5025 17 A 4.0054 8.2184 119.1256 55.3631 18.1533 178.4557 18 A 4.1634 7.6496 116.8291 53.7659 18.8276 177.5803 19 L 4.4693 7.7719 116.0970 52.6042 43.2024 175.4509 20 P 4.2681 0.0000 0.0000 63.3158 33.1697 177.3386 21 D 4.2956 8.6320 120.0490 57.2292 41.1655 178.3255 22 D 4.3671 8.0409 119.4342 56.6305 39.3171 178.5760 23 I 3.5803 7.6006 120.8874 63.9417 37.0453 178.2591 24 R 3.8760 8.0571 119.6080 59.3437 29.7416 178.6656 25 Q 3.9522 8.1407 118.1952 58.7527 28.8437 178.3911 26 R 3.8865 7.8760 119.5982 59.3553 30.2230 178.7435 27 I 3.4394 7.5877 119.2946 64.4054 37.1261 178.5169 28 L 4.0043 8.0897 119.8061 57.2704 41.4062 179.1863 29 E 3.8699 8.4079 120.3418 59.2582 29.6080 179.2914 30 V 3.5096 7.4223 118.8062 64.3537 31.3407 178.0165 31 Q 4.0839 7.5430 121.4730 58.6785 28.6101 178.2204 32 D 4.2891 7.6069 118.4160 57.0228 40.9216 178.3954 33 K 4.0213 7.7197 119.0106 59.0988 32.3536 178.0061 34 A 4.3656 8.2501 119.2534 51.5536 19.7513 178.0597 35 G 3.9491 9.8391 104.9462 45.1087 0.0000 172.5675 36 F 4.6510 7.0614 112.8316 56.1004 40.1762 172.9147 37 V 4.0672 8.3262 121.0548 60.1853 32.2458 173.5831 38 P 5.0361 0.0000 0.0000 63.4254 31.9621 177.3661 39 N 4.6690 10.1289 120.6315 55.6355 38.4037 177.9826 40 V 3.3649 8.0052 120.9735 64.7397 31.1956 178.1947 41 F 4.1588 8.3673 118.2070 60.4659 38.6622 177.6403 42 L 4.1722 8.2523 117.1266 57.9999 41.8265 179.1402 43 T 4.2221 8.1913 109.4991 64.2155 69.1804 176.7193 44 L 4.2061 8.0473 120.5429 56.3522 41.5667 178.6362 45 A 4.1647 7.9226 120.2898 54.5957 18.2900 178.4411 46 H 4.4266 7.7853 115.0761 57.8071 31.0611 175.1866 47 R 4.4837 7.8692 119.6654 52.3153 30.6246 173.5853 48 P 4.2866 0.0000 0.0000 65.8390 31.6447 177.5110 49 D 4.4772 8.1411 116.9184 57.2970 40.7661 178.3824 50 E 4.1750 8.1847 118.6698 58.7903 29.7051 178.4839 51 F 4.2453 8.4487 120.9197 61.5125 39.4095 177.4794 52 R 4.2148 8.4361 117.2131 59.4410 30.0017 178.9080 53 A 4.0951 8.0908 120.3240 55.0591 18.3147 179.3369 54 F 4.0457 8.8405 119.4645 61.7737 39.5413 177.4838 55 F 4.1211 8.5719 116.8245 59.7680 38.6926 177.8163 56 A 4.0284 8.1640 120.9546 55.3605 18.0289 178.9566 57 Y 3.7469 7.6756 116.4422 60.9259 39.1788 177.2267 58 H 3.2585 7.6046 119.1432 59.3771 29.6564 176.9848 59 D 4.4673 8.0560 118.5835 57.1010 40.6760 178.3546 60 A 4.1503 7.7433 120.5481 54.0310 18.3003 178.5644 61 L 4.4626 7.1808 115.1192 54.9727 42.1905 177.4066 *63 L 4.3288 7.7665 118.7730 53.8713 43.5442 177.4358 64 K 4.1630 7.8372 117.5170 56.6741 33.1609 176.0882 65 D 4.6054 8.3943 120.5748 53.8627 41.8636 176.7403 66 G 4.0077 7.8885 109.5879 45.8581 0.0000 172.6752 67 G 3.8963 8.9573 106.9806 47.7167 0.0000 174.3024 68 L 4.6479 7.7504 119.5399 53.6453 42.8378 177.3774 69 T 4.1528 8.5114 113.9980 61.2156 70.6068 175.7506 70 K 4.0470 8.4813 121.4532 60.1916 32.2208 179.4752 71 G 4.0153 7.8639 106.9333 46.9967 0.0000 175.1001 72 E 4.1766 8.1136 120.1588 59.2991 29.6332 179.3057 73 R 4.1239 8.0899 118.1068 59.0738 30.1486 180.2278 74 E 3.9730 7.8623 118.1638 56.3255 29.4881 179.2744 *76 I 3.9006 7.7838 121.3451 61.4654 39.5707 178.4702 77 V 3.0967 7.1526 119.3664 65.8423 31.1666 178.2286 78 V 3.4327 7.6925 117.7768 65.9439 30.8796 177.8686 79 A 3.9733 7.7504 120.2660 55.2557 18.1594 179.5291 80 T 3.8984 7.7440 108.2906 64.8194 69.0163 177.3447 81 S 4.3300 8.8674 119.4559 60.8049 62.7159 176.3788 82 A 3.9608 8.4371 123.6601 54.9638 17.8231 179.1941 83 A 4.1409 7.4343 116.7881 53.9345 18.8050 178.3707 84 N 4.5818 7.4850 113.4201 52.4159 40.1108 175.9538 85 Q 2.9815 7.2249 118.4063 56.9951 26.6347 175.2432 86 C 4.8316 8.0834 120.3509 57.2189 32.1991 173.5680 87 L 3.9168 8.6650 129.5810 58.5075 41.7048 177.6646 88 Y 3.9494 8.0819 118.7532 61.2228 38.7709 177.8435 89 C 3.9766 8.0668 116.8332 62.5825 28.3225 176.2189 90 V 3.4468 7.5862 119.7544 65.9190 31.0366 178.3787 91 V 3.2069 7.4580 117.6518 65.6815 30.8046 177.8407 92 A 2.5800 7.2155 120.4867 54.9155 18.0967 179.1510 93 H 4.2532 7.9557 113.9550 57.6900 28.9029 178.2423 94 G 3.4862 7.8280 108.0651 47.5224 0.0000 175.5562 95 A 4.0181 7.5610 123.0115 54.9827 18.3803 179.8848 96 I 3.3840 7.2412 117.3259 64.2975 37.1832 178.1227 97 L 3.9282 8.2251 121.5085 58.5684 41.9090 179.3021 98 R 4.1060 8.0064 117.5875 59.2785 29.7285 179.1565 99 I 3.7272 7.1843 118.5217 64.7596 37.2866 177.7175 100 Y 4.6104 8.0100 116.6156 61.1815 37.9881 178.1692 101 E 4.2572 8.6943 118.2741 55.8909 30.0046 176.6559 102 K 4.2222 7.9084 117.0118 57.3974 29.7810 176.6818 103 K 4.4799 7.6489 117.7490 53.6541 33.6501 175.6152 104 P 4.4011 0.0000 0.0000 64.5192 31.6236 177.5762 105 L 4.4838 7.7590 118.5573 55.9491 43.0966 178.8596 106 V 3.8917 7.5175 117.9960 64.5180 30.9781 178.4701 107 A 3.9502 7.8809 121.2055 55.2402 18.3893 179.1682 108 D 4.2963 8.0198 116.9687 57.4295 40.8364 178.8812 109 Q 3.9689 7.9148 118.3088 59.1045 28.5537 179.0992 110 V 3.6571 7.8036 117.6917 65.8507 31.5865 177.6273 111 A 4.1108 8.0746 120.1689 54.4877 18.2522 179.2374 112 V 4.1060 7.5479 115.7393 64.2469 32.8937 176.2786 113 N 4.6485 8.2172 118.1195 52.7009 40.2775 173.8427 114 Y 4.1736 8.4363 123.8572 59.2689 38.4236 179.2274 115 L 3.7154 7.2025 119.4277 56.6872 41.7214 177.7392 116 K 4.4436 7.9143 116.7464 55.8749 32.4818 176.0786 117 A 4.5463 7.6142 121.9288 51.5232 19.8294 179.1158 118 D 4.7682 9.0976 121.6466 53.0653 39.1293 176.2412 119 I 4.7133 7.1970 112.9607 57.0614 41.4947 175.0073 120 P 4.4848 0.0000 0.0000 62.2601 33.1054 175.4584 121 P 4.2638 0.0000 0.0000 65.8295 30.8985 178.7107 122 R 3.7984 7.9883 116.1526 59.8383 30.0678 178.2306 123 Q 4.2685 8.0435 115.6179 58.5049 29.0159 178.2039 124 R 4.2417 7.9238 119.4530 59.2330 30.1829 179.6388 125 A 4.3420 8.0182 118.9685 52.6941 18.4825 179.0625 *127 L 3.9926 7.9769 122.7873 56.3184 43.9240 179.2340 128 D 4.4839 8.4589 120.4775 56.8009 40.7051 178.6204 129 F 4.0444 8.1498 120.7908 61.0023 39.2628 176.8165 130 A 3.7708 7.9045 119.9590 55.3828 18.1662 179.5654 131 L 3.8057 7.6941 116.9839 57.2750 41.5230 179.7380 132 K 3.8059 7.4666 120.2046 59.2871 31.8950 179.0572 133 V 3.2483 7.0910 117.5145 65.9178 31.4313 177.2060 134 C 4.1463 7.9382 117.6637 61.7087 31.5189 174.7643 135 K 4.4953 7.8154 116.5485 55.9942 34.6866 176.6607 136 A 4.6956 8.4344 123.4502 50.6536 19.6804 177.7641 137 S 4.0556 7.9810 118.7144 61.3051 63.7155 176.7576 138 H 4.2807 8.1488 115.4107 57.7247 28.4127 175.6262 139 E 4.3029 7.4729 118.1052 55.8821 29.6200 176.3269 140 V 3.8261 7.4800 120.8943 62.8669 32.0301 174.6787 141 N 5.2871 9.9181 124.0027 50.2112 40.7100 174.9334 142 E 4.2695 8.8840 116.3253 59.5631 29.3006 179.3568 143 A 4.1011 7.9354 119.3990 54.8248 18.1511 179.4543 144 D 4.3062 8.2028 118.0331 57.5449 40.8486 178.9000 145 F 3.8914 8.0537 117.8238 60.3157 38.5190 177.3434 146 E 3.9951 8.7219 118.4743 59.5793 29.0922 179.3284 147 A 4.0827 7.7918 119.3382 55.0952 18.7105 179.4427 148 L 4.2162 7.6355 117.4081 58.1611 41.8331 179.7731 149 R 4.3540 8.1483 119.3584 58.8410 29.7518 178.8657 150 E 4.0084 7.8077 116.4834 58.9987 29.4825 178.0501 151 H 4.7191 7.9934 113.6497 55.2161 29.3056 175.6463 152 G 3.8261 7.7405 109.2908 45.0508 0.0000 173.3744 153 F 4.8161 7.9153 119.4914 56.2709 39.7577 176.1525 154 T 4.4025 8.5584 116.8188 61.1157 71.2411 175.0656 155 D 4.4713 8.5568 119.9000 57.5012 40.6152 178.8093 156 E 4.1034 8.2009 118.7539 59.2359 29.3698 178.8564 157 D 4.4875 8.2092 119.0709 57.0584 40.8615 178.4861 158 A 3.8606 8.4220 121.6437 54.8522 18.3938 179.2478 159 W 4.2643 8.5665 126.8912 61.0364 30.6581 177.8271 160 D 4.6488 8.1905 118.4454 57.4698 40.1811 178.9321 161 I 3.6851 8.0418 119.9465 64.4515 37.1185 178.2487 162 A 3.8864 8.4869 121.5127 55.1751 18.1683 179.5863 163 A 3.9249 8.5798 119.5931 55.2395 18.4238 179.8553 164 I 3.8530 8.0623 118.3998 64.9655 37.2707 178.4014 165 T 3.8424 8.0791 116.4022 66.8108 67.8345 176.1698 166 A 3.8555 8.1460 122.3142 55.2851 18.4536 179.4582 167 F 3.6435 8.1637 119.0180 61.2263 39.3195 176.9376 168 F 3.9156 8.6461 116.5431 59.0205 38.3784 177.8876 169 G 3.4861 7.8419 106.1411 47.1180 0.0000 175.8490 170 L 3.8082 6.8642 121.2256 57.9766 42.2120 178.4133 171 S 4.1377 7.0406 111.6141 61.5444 62.0075 175.4899 172 N 4.5499 8.2520 119.1322 56.3744 38.2922 178.0863 173 R 3.9481 7.4305 116.1287 56.4336 30.1337 178.6502 *175 A 4.1865 7.9463 122.7921 52.4412 20.5971 179.7217 176 N 4.3647 8.5526 113.5122 56.8732 38.8305 177.8819 177 T 3.8862 7.9826 113.9121 66.1433 68.7402 175.2759 178 I 4.2357 7.8160 112.4970 60.0017 38.5962 175.3208 179 G 4.1815 7.7769 109.2038 45.5136 0.0000 173.1495 *181 R 4.2232 8.1498 119.6055 55.1350 31.0408 173.5666 182 P 5.1430 0.0000 0.0000 62.4025 32.6611 175.7598 183 N 4.7153 9.2454 117.9373 53.0837 38.9621 175.8952 184 D 4.5437 8.9508 121.9273 57.9703 40.8875 179.1494 185 E 3.8782 7.7717 118.0248 59.2929 29.0527 179.1723 186 F 4.5369 7.8568 116.9232 60.3607 38.9212 177.3724 187 F 4.3000 8.1191 116.2070 58.9634 40.1034 175.8073 188 L 4.3894 7.6601 121.5198 53.3482 40.2794 176.7270 *190 G 4.0317 7.8332 106.7484 44.6157 0.0000 171.5666 191 R 4.0789 7.8614 119.0832 57.3424 30.5470 176.6775 192 V 4.2728 7.5197 117.4788 59.8933 32.6043 173.4150 193 P 4.4457 0.0000 0.0000 63.0285 32.0092 177.1310 194 K 4.2026 8.4632 119.7395 55.0144 31.7108 177.9807 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 5 A 8.26 4.31 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 6 H 8.56 4.23 0.00 3.26 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.40 0.00 2.19 2.07 0.00 3.79 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 1.97 0.00 8 I 8.18 4.24 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.69 0.99 0.00 0.00 9 S 7.35 4.74 0.00 3.84 3.77 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 10 R 9.15 3.93 0.00 1.85 1.99 0.00 3.26 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.46 0.00 11 Y 7.52 4.37 0.00 2.96 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 12 P 0.00 4.26 0.00 2.08 2.01 0.00 3.48 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 13 V 8.09 4.25 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 0.96 0.00 0.00 0.97 0.00 0.00 14 P 0.00 4.45 0.00 2.22 2.06 0.00 4.06 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 15 E 8.48 4.27 0.00 2.02 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 2.41 2.28 0.00 16 L 8.71 3.91 0.00 1.70 1.71 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.22 4.01 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 18 A 7.65 4.16 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 19 L 7.77 4.47 0.00 1.64 1.48 0.83 0.93 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 20 P 0.00 4.27 0.00 2.16 1.96 0.00 3.49 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 21 D 8.63 4.30 0.00 2.77 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.04 4.37 0.00 2.94 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 23 I 7.60 3.58 1.77 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.17 0.12 0.00 0.00 24 R 8.06 3.88 0.00 1.94 2.09 0.00 3.07 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 25 Q 8.14 3.95 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 26 R 7.88 3.89 0.00 1.98 2.28 0.00 2.94 0.00 0.00 2.99 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 27 I 7.59 3.44 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.28 0.88 0.00 0.00 28 L 8.09 4.00 0.00 1.70 1.67 0.90 0.85 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 29 E 8.41 3.87 0.00 2.10 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 2.25 2.29 0.00 30 V 7.42 3.51 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 0.06 0.00 0.00 0.66 0.00 0.00 31 Q 7.54 4.08 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 32 D 7.61 4.29 0.00 2.80 2.68 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 33 K 7.72 4.02 0.00 1.87 1.75 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 34 A 8.25 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 9.84 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 0.00 0.00 0.00 36 F 7.06 4.65 0.00 3.08 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 37 V 8.33 4.07 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 0.87 0.00 0.00 0.93 0.00 0.00 38 P 0.00 5.04 0.00 2.89 2.72 0.00 3.60 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.25 0.00 39 N 10.13 4.67 0.00 2.93 2.92 0.00 0.00 6.52 7.23 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 40 V 8.01 3.36 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 0.85 0.00 0.00 0.66 0.00 0.00 41 F 8.37 4.16 0.00 3.36 3.27 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 42 L 8.25 4.17 0.00 1.73 1.84 1.03 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.19 4.22 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 44 L 8.05 4.21 0.00 1.84 1.67 -0.43 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.92 4.16 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 46 H 7.79 4.43 0.00 3.37 3.46 0.00 5.89 0.00 0.00 0.00 0.00 7.08 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 124 R 7.92 4.24 0.00 1.98 2.12 0.00 3.11 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 125 A 8.02 4.34 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 *127 L 7.98 3.99 0.00 1.36 0.88 0.78 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.46 4.48 0.00 2.87 2.78 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 0.00 129 F 8.15 4.04 0.00 2.93 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 0.00 130 A 7.90 3.77 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 0.00 131 L 7.69 3.81 0.00 1.76 1.67 0.54 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.47 3.81 0.00 1.63 1.58 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.32 7.81 133 V 7.09 3.25 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 0.65 0.00 0.00 0.14 0.00 0.00 134 C 7.94 4.15 0.00 2.95 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 0.00 135 K 7.82 4.50 0.00 1.70 1.77 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.52 7.81 136 A 8.43 4.70 1.12 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 0.00 0.00 137 S 7.98 4.06 0.00 3.90 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 0.00 138 H 8.15 4.28 0.00 3.28 3.45 0.00 5.51 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 7.47 4.30 0.00 1.99 1.93 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 2.20 1.85 0.00 140 V 7.48 3.83 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.67 0.00 0.00 141 N 9.92 5.29 0.00 2.96 2.93 0.00 0.00 6.59 7.93 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 0.00 142 E 8.88 4.27 0.00 2.07 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 2.47 2.36 0.00 143 A 7.94 4.10 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 0.00 144 D 8.20 4.31 0.00 2.85 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 0.00 145 F 8.05 3.89 0.00 3.21 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 0.00 146 E 8.72 4.00 0.00 2.19 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 2.38 2.54 0.00 147 A 7.79 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 0.00 148 L 7.64 4.22 0.00 1.78 1.73 -0.35 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.15 4.35 0.00 2.06 2.02 0.00 3.17 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 150 E 7.81 4.01 0.00 2.09 1.92 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 2.48 2.50 0.00 151 H 7.99 4.72 0.00 3.45 3.30 0.00 5.62 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 0.00 152 G 7.74 3.83 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 0.00 0.00 0.00 153 F 7.92 4.82 0.00 3.17 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 8.56 4.40 4.28 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 1.23 0.00 0.00 155 D 8.56 4.47 0.00 2.72 2.75 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 0.00 156 E 8.20 4.10 0.00 1.99 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 2.38 2.29 0.00 157 D 8.21 4.49 0.00 3.16 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.42 3.86 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 0.00 159 W 8.57 4.26 0.00 3.56 3.24 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 0.00 160 D 8.19 4.65 0.00 2.96 2.81 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 0.00 161 I 8.04 3.69 2.11 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 1.30 0.69 0.92 0.00 0.00 162 A 8.49 3.89 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 0.00 163 A 8.58 3.92 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.06 3.85 2.06 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 1.66 0.87 0.91 0.00 0.00 165 T 8.08 3.84 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 1.17 0.00 0.00 166 A 8.15 3.86 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 0.00 167 F 8.16 3.64 0.00 2.55 2.87 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 0.00 168 F 8.65 3.92 0.00 3.23 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 0.00 169 G 7.84 3.49 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 0.00 0.00 0.00 170 L 6.86 3.81 0.00 1.40 1.43 0.80 0.80 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 0.00 171 S 7.04 4.14 0.00 3.20 3.63 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 0.00 172 N 8.25 4.55 0.00 2.90 2.84 0.00 0.00 7.11 8.51 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 0.00 173 R 7.43 3.95 0.00 1.95 1.88 0.00 3.21 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 *175 A 7.95 4.19 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 N 8.55 4.36 0.00 2.82 2.88 0.00 0.00 7.11 6.67 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 0.00 177 T 7.98 3.89 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 1.25 0.00 0.00 178 I 7.82 4.24 2.05 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 1.31 0.81 0.81 0.00 0.00 179 G 7.78 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 0.00 0.00 0.00 *181 R 8.15 4.22 0.00 1.90 2.00 0.00 3.42 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 182 P 0.00 5.14 0.00 2.30 1.97 0.00 4.06 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 2.35 2.07 0.00 183 N 9.25 4.72 0.00 2.65 2.69 0.00 0.00 6.98 8.08 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 0.00 184 D 8.95 4.54 0.00 2.69 2.68 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 0.00 185 E 7.77 3.88 0.00 1.16 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.13 0.00 186 F 7.86 4.54 0.00 3.02 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 0.00 187 F 8.12 4.30 0.00 3.15 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 0.00 188 L 7.66 4.39 0.00 1.80 1.59 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 *190 G 7.83 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 0.00 191 R 7.86 4.08 0.00 1.89 2.02 0.00 3.17 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 192 V 7.52 4.27 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 0.87 0.00 0.00 0.95 0.00 0.00 193 P 0.00 4.45 0.00 2.24 2.06 0.00 3.83 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 2.00 1.98 0.00 194 K 8.46 4.20 0.00 1.80 1.62 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.