NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8726 8.3093 115.8547 57.1192 40.2191 176.0770 11 H 4.1812 6.6792 116.6017 56.8618 29.0643 173.5646 12 E 3.7809 8.2488 121.0313 59.0093 30.1609 178.3234 13 M 4.6052 7.7458 115.4000 55.3270 32.2323 176.8244 14 R 4.5858 8.0776 117.6788 55.4148 32.7227 175.5862 15 E 4.0720 8.1819 116.5758 55.1194 30.0690 174.7062 16 P 4.3183 0.0000 0.0000 62.7820 32.7289 174.6951 17 R 4.2383 7.8303 115.5143 55.7993 33.3546 173.6523 18 I 4.5462 8.2085 120.3572 59.9916 37.6352 175.6124 19 E 4.2894 9.0239 130.1124 58.7063 30.3527 176.8297 20 K 4.7181 7.4870 114.9693 55.9533 35.8843 174.6747 21 V 4.6120 8.5831 122.4885 61.3607 34.2045 174.6783 22 V 4.6008 8.4663 129.8567 61.6400 32.5909 174.6957 23 V 4.5629 8.2811 122.9610 60.2810 33.0541 175.0478 24 H 5.1694 8.9056 124.3920 54.9604 33.7247 172.1379 25 M 4.4699 8.6897 123.2980 53.4620 34.4259 175.1409 26 G 3.7175 8.2902 112.4445 46.8865 0.0000 172.5441 27 I 3.7176 8.4646 131.0721 61.8635 35.7772 177.5338 28 G 4.8370 5.3800 126.9939 46.4887 0.0000 172.4166 29 H 4.8456 7.4309 118.7646 55.6430 31.0068 174.0859 *35 A 4.4091 7.0548 124.6286 51.8330 19.1640 179.6827 36 N 4.3597 9.2993 120.2013 56.6395 37.0848 175.4989 37 A 4.2262 7.7849 121.6719 53.8839 19.5493 179.0370 38 E 4.0094 8.4440 116.8037 59.6574 29.3629 178.7973 39 D 4.4113 8.2252 118.4544 57.5839 40.8284 179.1578 40 I 3.7120 7.3784 111.7315 64.1565 37.6554 178.1522 41 L 4.0621 8.0135 120.7326 57.3488 41.4164 179.6218 42 G 3.6303 8.1405 105.6990 47.1452 0.0000 175.5755 43 E 4.1030 7.7514 119.7173 58.8364 29.7268 178.6485 44 I 4.0162 8.0238 118.0459 63.0439 38.1204 177.1747 45 T 4.3990 7.4833 109.5899 64.2077 69.7383 175.7356 46 G 4.1128 8.0141 106.7673 44.8182 0.0000 172.8653 47 Q 4.5686 8.0443 117.0805 54.0900 31.9522 174.1123 48 M 4.0535 8.5079 118.0758 55.6220 32.3499 174.5622 49 P 4.9000 0.0000 0.0000 61.6478 34.1494 174.5874 50 V 4.4516 8.3090 118.8274 60.8091 34.4050 175.2981 51 R 4.5560 8.7539 126.1972 56.8465 31.5319 176.2060 52 T 4.5209 8.4865 116.4976 62.0156 71.9584 174.5194 53 K 5.0723 8.9647 125.7424 54.9157 33.9714 175.2341 54 A 4.8933 8.0290 121.9306 50.3500 22.3963 175.3557 55 K 4.5984 8.1135 116.7998 55.4202 36.0665 172.9556 56 R 3.8377 8.7057 128.3423 55.7904 30.3716 176.7178 57 T 4.3577 8.3303 118.4585 63.3993 69.6650 174.1703 58 V 4.5205 8.6367 123.9708 60.6462 34.7800 176.6737 59 G 3.7489 8.9895 115.1272 48.7907 0.0000 174.6048 60 E 4.1287 8.2270 117.7924 59.4128 27.3173 177.3263 61 F 4.1048 7.4925 127.4604 60.5562 38.7662 175.2687 62 D 4.9105 8.0479 121.3177 53.1409 41.5380 175.8510 63 I 3.8474 7.7536 114.4716 63.0737 38.9544 176.2843 64 R 3.8012 7.9318 121.0560 55.9976 29.4654 174.9000 65 E 3.7219 8.5808 128.1042 58.9922 29.6572 176.2506 66 G 4.1869 8.2772 111.1910 46.5482 0.0000 172.7498 67 D 4.6002 8.5573 123.0660 51.5478 41.8617 173.8512 68 P 4.4023 0.0000 0.0000 64.0442 31.5361 175.7144 69 I 4.6596 8.7699 119.8544 62.2434 44.0455 174.4384 70 G 4.4887 7.7944 106.6341 46.1259 0.0000 171.4521 71 A 5.8105 8.4475 118.1965 51.7551 23.1733 175.8438 72 K 5.1172 8.3530 117.7072 55.8775 36.9908 175.0226 73 V 4.7118 8.7821 120.2493 61.6213 35.0952 173.3369 74 T 4.7481 8.5366 118.3963 60.2327 70.1297 173.6610 75 L 4.6901 8.6977 127.4747 53.0859 43.9398 176.0105 76 R 4.7291 7.9701 120.8403 54.8333 33.8477 175.9710 77 D 4.4049 8.9511 121.0581 55.4440 38.8943 176.0159 78 E 3.9596 9.0550 123.1457 61.2504 28.1578 178.5439 79 M 3.9470 8.2894 117.5580 58.4147 31.8659 178.6810 80 A 4.1893 7.9835 120.5736 54.9020 18.9821 179.4337 81 E 3.9338 8.1009 116.5095 59.7768 29.5323 179.3324 82 E 4.1181 8.7142 116.9421 58.5036 29.8002 178.7788 83 F 4.4337 7.5683 121.2217 60.8104 39.8668 177.4771 84 L 4.0348 8.5644 118.9705 57.9668 41.1773 179.3109 85 Q 4.0368 8.2334 117.8118 58.5019 28.7427 178.3804 86 T 4.3431 7.5661 106.4135 61.4393 69.7843 175.1676 87 A 4.2396 7.2102 123.5922 54.3501 19.7974 178.9935 88 L 3.5527 8.0524 117.8123 57.5693 41.6019 177.8832 89 P 4.3076 0.0000 0.0000 64.1943 31.3976 177.2138 90 L 4.4892 7.8044 116.9032 53.8364 42.4152 175.5060 91 A 4.8630 7.6143 120.9957 50.3445 22.0965 176.2085 92 E 4.5322 8.2236 119.1405 53.4583 29.1519 175.1819 93 L 3.9087 7.9793 119.9476 55.1760 42.5388 176.6820 94 A 5.6279 8.2583 123.5170 49.3540 22.3873 177.2895 95 T 3.8250 8.6055 116.0294 66.8953 68.7738 176.7439 96 S 4.3219 8.2118 115.6080 61.5359 63.0066 176.1483 97 Q 4.4618 8.0777 115.6880 56.5989 28.0202 175.3577 98 F 4.8766 8.2205 117.1772 55.5289 41.2715 175.4050 99 D 4.7520 10.6100 123.5894 54.0598 42.2693 175.2899 100 D 4.7334 8.4862 118.0600 55.7665 41.5429 177.9576 101 T 4.1791 7.9287 113.7807 64.0839 68.8256 175.2027 102 G 4.2098 8.4840 109.7820 46.1924 0.0000 172.8179 103 N 5.2187 8.2049 115.0123 51.1487 42.3578 173.4212 104 F 5.0492 7.5455 112.5870 56.1119 41.4431 173.1234 105 S 5.0149 8.6873 115.8522 56.4779 65.0155 172.6076 106 F 4.9651 8.8371 121.1259 54.9979 41.4560 173.2127 107 G 3.9123 8.9418 102.5358 43.6635 0.0000 173.5271 *128 L 3.9956 8.2429 125.0269 55.2154 42.9824 176.7900 129 D 4.8609 8.8675 126.6265 52.9096 43.9291 176.3998 130 V 4.0994 8.0511 120.7320 61.9080 34.4029 173.8769 131 T 4.7381 8.3523 125.2327 61.6521 71.1260 174.0670 132 V 4.4984 7.6109 124.5605 61.0509 34.3317 173.7231 133 N 4.9539 9.2780 128.1485 52.4398 39.9472 173.4565 134 L 5.2440 8.2229 126.3784 53.2894 44.3719 176.0110 135 V 4.1751 7.9272 120.2341 61.1687 35.0625 172.6308 136 R 4.5050 8.2035 119.9854 54.3491 31.7907 176.2937 137 P 4.0928 0.0000 0.0000 65.8312 31.5309 178.4532 138 G 4.1335 7.9398 106.5508 45.7572 0.0000 175.0386 139 Y 4.3256 7.7489 122.1551 60.1616 38.9841 175.8770 140 R 3.9215 8.2666 119.4820 59.6230 29.8210 178.0453 141 V 3.6700 7.4824 116.1131 65.1012 31.1120 176.6913 142 A 5.1435 7.6866 119.0931 50.8691 19.5745 176.6855 143 K 4.3040 7.9334 116.1492 55.7783 33.9814 176.7276 144 R 4.3060 7.5569 115.1621 55.2770 30.7288 176.5776 145 D 4.4145 8.4600 118.0333 57.2958 41.2466 177.5479 146 K 4.0293 7.9363 118.4920 57.5001 32.7382 177.0860 147 A 4.2709 8.6672 124.8042 52.6032 16.2477 176.9261 148 S 4.5247 7.1421 113.2287 60.4950 64.2413 173.4607 149 R 4.5936 8.6836 119.0371 55.3545 33.7380 173.5547 150 S 4.7054 8.4947 118.5670 57.2648 63.6251 173.8539 151 I 3.8784 8.2968 127.5603 60.5366 37.6441 174.4460 152 P 4.4353 0.0000 0.0000 62.6407 32.1502 177.2641 153 T 3.9097 8.7388 112.2937 65.3076 68.1351 176.5854 154 K 3.9565 8.0747 119.6585 59.1030 32.2080 177.5786 155 H 4.6088 7.9058 115.1109 55.4705 30.3419 175.1642 156 R 4.2621 7.3445 118.9641 55.9485 30.8300 176.2736 157 L 4.2187 8.1938 122.7707 55.0179 43.0144 176.0131 158 N 5.1910 8.1946 118.5766 50.1155 43.3284 174.0161 159 P 4.3385 0.0000 0.0000 65.8414 31.4686 178.7539 160 A 3.8396 7.9210 118.7758 55.5226 18.4896 179.1683 161 D 4.3478 8.2144 116.3705 57.4012 40.7918 179.0689 162 A 4.0926 8.3177 121.5957 55.1446 18.6218 179.4110 163 V 3.1726 7.9943 116.7988 66.8594 31.3328 177.3291 164 A 3.9042 8.2735 119.7364 54.7982 17.8003 179.1147 165 F 4.1395 8.2665 118.6918 61.5377 39.8650 178.0018 166 I 3.5770 7.9346 117.9845 64.3737 37.2369 177.4541 167 E 4.8249 8.6935 121.5253 58.8212 29.0609 178.7157 168 S 4.7668 8.3916 111.0776 57.6911 63.7231 175.1432 169 T 4.6106 7.9574 116.2425 63.4187 71.3110 171.9631 170 Y 3.3416 7.8929 124.6607 56.1698 34.9575 168.7026 171 D 4.5485 6.3989 117.9059 53.3325 43.1146 176.5148 172 V 4.7577 7.4890 117.4006 61.1352 35.6638 177.4664 173 E 4.4052 8.9139 127.6913 57.6215 28.9389 177.0571 174 V 3.7158 7.4858 116.3110 61.7317 32.1035 175.0484 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 10 F 8.31 4.87 0.00 3.16 3.31 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 11 H 6.68 4.18 0.00 3.23 2.92 0.00 5.48 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.25 3.78 0.00 1.59 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 0.00 2.22 2.26 0.00 13 M 7.75 4.61 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 14 R 8.08 4.59 0.00 1.92 1.94 0.00 3.36 0.00 0.00 3.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.95 0.00 15 E 8.18 4.07 0.00 2.11 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 2.53 2.32 0.00 16 P 0.00 4.32 0.00 0.90 1.60 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 17 R 7.83 4.24 0.00 1.77 1.88 0.00 2.73 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.00 18 I 8.21 4.55 1.97 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.90 0.96 0.00 0.00 19 E 9.02 4.29 0.00 1.88 1.87 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 2.33 2.30 0.00 20 K 7.49 4.72 0.00 1.77 1.81 0.00 1.46 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.30 1.32 7.81 21 V 8.58 4.61 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 0.98 0.00 0.00 0.99 0.00 0.00 22 V 8.47 4.60 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 0.81 0.00 0.00 0.85 0.00 0.00 23 V 8.28 4.56 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 0.03 0.00 0.00 0.71 0.00 0.00 24 H 8.91 5.17 0.00 3.19 2.98 0.00 5.52 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.69 4.47 0.00 1.87 1.85 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 26 G 8.29 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.46 3.72 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.69 0.00 0.00 28 G 5.38 4.84 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 29 H 7.43 4.85 0.00 3.16 3.33 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 7.05 4.41 1.03 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 36 N 9.30 4.36 0.00 2.84 2.96 0.00 0.00 5.87 7.26 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 37 A 7.78 4.23 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 38 E 8.44 4.01 0.00 1.99 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 2.31 2.55 0.00 39 D 8.23 4.41 0.00 2.67 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 40 I 7.38 3.71 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.57 0.91 0.00 0.00 41 L 8.01 4.06 0.00 1.85 1.72 0.86 0.86 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 42 G 8.14 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 0.00 0.00 0.00 43 E 7.75 4.10 0.00 1.94 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 2.35 2.50 0.00 44 I 8.02 4.02 1.96 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.86 1.09 0.00 0.00 45 T 7.48 4.40 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 0.98 0.00 0.00 46 G 8.01 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.04 4.57 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.84 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 48 M 8.51 4.05 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 49 P 0.00 4.90 0.00 2.03 2.02 0.00 3.68 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.92 0.00 50 V 8.31 4.45 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 1.04 0.00 0.00 0.95 0.00 0.00 51 R 8.75 4.56 0.00 1.72 1.84 0.00 3.35 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 52 T 8.49 4.52 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 1.20 0.00 0.00 53 K 8.96 5.07 0.00 1.62 1.74 0.00 1.73 0.00 0.00 0.82 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.27 7.81 54 A 8.03 4.89 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 55 K 8.11 4.60 0.00 1.59 1.67 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.42 7.81 56 R 8.71 3.84 0.00 1.96 1.95 0.00 3.21 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 57 T 8.33 4.36 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 1.24 0.00 0.00 58 V 8.64 4.52 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 1.08 0.00 0.00 0.99 0.00 0.00 59 G 8.99 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.23 4.13 0.00 2.14 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 2.31 2.34 0.00 61 F 7.49 4.10 0.00 3.02 3.29 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 62 D 8.05 4.91 0.00 2.98 2.52 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 63 I 7.75 3.85 1.93 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 1.46 0.80 1.02 0.00 0.00 64 R 7.93 3.80 0.00 1.76 2.07 0.00 3.21 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 65 E 8.58 3.72 0.00 2.04 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 66 G 8.28 4.19 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 0.00 67 D 8.56 4.60 0.00 2.64 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 68 P 0.00 4.40 0.00 1.93 2.05 0.00 3.64 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 2.02 2.14 0.00 69 I 8.77 4.66 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 1.13 1.13 0.90 0.00 0.00 70 G 7.79 4.49 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 71 A 8.45 5.81 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 72 K 8.35 5.12 0.00 1.75 1.88 0.00 1.42 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.39 7.81 73 V 8.78 4.71 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 0.96 0.00 0.00 0.91 0.00 0.00 74 T 8.54 4.75 4.19 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 1.15 0.00 0.00 75 L 8.70 4.69 0.00 1.54 1.63 0.50 0.58 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 76 R 7.97 4.73 0.00 1.62 1.77 0.00 3.31 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.61 0.00 77 D 8.95 4.40 0.00 2.89 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 0.00 0.00 0.00 0.00 78 E 9.05 3.96 0.00 2.02 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 2.42 2.43 0.00 79 M 8.29 3.95 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.59 0.00 80 A 7.98 4.19 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 81 E 8.10 3.93 0.00 2.16 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 2.45 2.46 0.00 82 E 8.71 4.12 0.00 1.98 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 2.35 2.48 0.00 83 F 7.57 4.43 0.00 3.43 3.29 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 84 L 8.56 4.03 0.00 1.88 1.80 1.10 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.23 4.04 0.00 1.90 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.19 2.57 0.00 86 T 7.57 4.34 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 87 A 7.21 4.24 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 88 L 8.05 3.55 0.00 1.66 1.63 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.31 0.00 1.97 2.09 0.00 3.49 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 90 L 7.80 4.49 0.00 1.82 1.76 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.61 4.86 1.05 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 92 E 8.22 4.53 0.00 1.94 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 2.19 2.28 0.00 93 L 7.98 3.91 0.00 1.58 1.68 0.66 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.26 5.63 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 95 T 8.61 3.82 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 1.17 0.00 0.00 96 S 8.21 4.32 0.00 4.06 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 97 Q 8.08 4.46 0.00 2.64 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.78 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 98 F 8.22 4.88 0.00 3.21 3.05 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 99 D 10.61 4.75 0.00 2.69 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 0.00 100 D 8.49 4.73 0.00 2.72 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 0.00 101 T 7.93 4.18 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 1.22 0.00 0.00 102 G 8.48 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.20 5.22 0.00 2.75 2.62 0.00 0.00 6.52 8.13 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 0.00 104 F 7.55 5.05 0.00 2.60 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 0.00 105 S 8.69 5.01 0.00 3.72 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 F 8.84 4.97 0.00 3.18 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.94 3.91 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 0.00 0.00 0.00 *128 L 8.24 4.00 0.00 1.68 1.65 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.87 4.86 0.00 2.71 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.05 4.10 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 0.88 0.00 0.00 0.87 0.00 0.00 131 T 8.35 4.74 4.08 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 1.03 0.00 0.00 132 V 7.61 4.50 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.76 0.00 0.00 133 N 9.28 4.95 0.00 2.70 2.60 0.00 0.00 6.61 6.64 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 0.00 134 L 8.22 5.24 0.00 1.75 1.49 1.29 1.11 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 0.00 135 V 7.93 4.18 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 0.30 0.00 0.00 0.52 0.00 0.00 136 R 8.20 4.50 0.00 1.67 1.77 0.00 3.10 0.00 0.00 2.93 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 137 P 0.00 4.09 0.00 2.07 2.16 0.00 3.75 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 1.92 2.11 0.00 138 G 7.94 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 7.75 4.33 0.00 3.20 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 0.00 140 R 8.27 3.92 0.00 1.92 1.94 0.00 3.25 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 141 V 7.48 3.67 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 1.00 0.00 0.00 0.97 0.00 0.00 142 A 7.69 5.14 1.05 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 0.00 143 K 7.93 4.30 0.00 1.54 1.73 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.76 1.31 7.81 144 R 7.56 4.31 0.00 1.89 1.90 0.00 3.00 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 145 D 8.46 4.41 0.00 2.67 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 0.00 146 K 7.94 4.03 0.00 1.80 1.71 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.42 7.81 147 A 8.67 4.27 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 0.00 148 S 7.14 4.52 0.00 3.94 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 0.00 149 R 8.68 4.59 0.00 1.89 1.72 0.00 3.12 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 150 S 8.49 4.71 0.00 3.91 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 0.00 151 I 8.30 3.88 2.00 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 1.46 1.20 1.04 0.00 0.00 152 P 0.00 4.44 0.00 2.21 2.00 0.00 3.66 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 153 T 8.74 3.91 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 1.23 0.00 0.00 154 K 8.07 3.96 0.00 1.77 1.96 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.59 7.81 155 H 7.91 4.61 0.00 3.17 3.36 0.00 5.94 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.34 4.26 0.00 2.08 1.86 0.00 3.43 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.75 0.00 157 L 8.19 4.22 0.00 1.52 1.79 0.89 0.94 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 0.00 158 N 8.19 5.19 0.00 2.94 2.67 0.00 0.00 6.83 8.03 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 0.00 159 P 0.00 4.34 0.00 2.16 2.17 0.00 3.63 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 2.16 2.42 0.00 160 A 7.92 3.84 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 0.00 161 D 8.21 4.35 0.00 2.92 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 0.00 162 A 8.32 4.09 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.99 3.17 1.95 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 0.52 0.00 0.00 0.00 0.00 0.00 164 A 8.27 3.90 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 0.00 165 F 8.27 4.14 0.00 3.06 3.39 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 0.00 166 I 7.93 3.58 1.99 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.18 0.85 0.00 0.00 167 E 8.69 4.82 0.00 1.95 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.14 0.00 168 S 8.39 4.77 0.00 3.85 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 0.00 169 T 7.96 4.61 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 170 Y 7.89 3.34 0.00 3.00 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 0.00 171 D 6.40 4.55 0.00 2.96 2.90 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 0.00 172 V 7.49 4.76 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 0.84 0.00 0.00 0.89 0.00 0.00 173 E 8.91 4.41 0.00 1.99 1.68 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 2.27 2.23 0.00 174 V 7.49 3.72 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 0.92 0.00 0.00 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.