NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.1689 0.0000 0.0000 61.8792 32.8372 175.5508 6 A 3.8703 7.9794 120.6446 51.1518 18.8034 176.8270 7 R 3.8293 8.8511 121.4979 59.4930 31.0622 176.1226 8 E 4.0298 8.1456 116.7881 58.9315 29.6123 176.1848 9 Q 4.2367 7.6847 119.3768 56.3221 29.1322 175.2245 *11 I 4.0245 7.5734 108.4138 60.2878 38.8432 174.3648 12 S 4.8186 8.6610 115.3605 55.6254 67.4308 174.7866 13 A 4.0261 8.5532 122.9130 55.6695 17.9978 179.2430 14 Y 4.1099 8.0563 117.6959 60.7626 38.9887 177.9208 15 S 4.0835 8.3175 115.3597 61.4588 62.5606 176.3797 16 E 3.9221 8.3281 122.1975 58.8952 28.9479 178.9702 17 L 3.9012 7.6089 119.4193 58.3241 42.2789 179.1048 18 V 3.6774 7.2226 116.6954 64.0109 31.3644 176.6123 19 G 3.9889 7.3829 104.9734 45.0751 0.0000 173.0129 20 L 4.3067 7.6971 119.8496 54.4123 42.4173 176.6304 21 D 4.5862 8.9681 122.9339 51.7355 43.9048 172.5942 22 P 4.5277 0.0000 0.0000 63.4274 31.5596 175.8932 23 V 4.3414 8.8237 123.4949 64.2097 33.2107 175.5254 24 S 4.7465 7.5927 112.2854 57.4616 66.2406 172.8345 25 L 5.1056 8.4318 119.4190 53.3576 45.2263 176.7699 26 G 4.1271 9.0487 112.3434 44.6643 0.0000 172.7913 27 D 4.4305 8.6747 119.8005 53.8052 40.0566 176.7047 28 G 3.8724 9.3065 114.9835 45.4392 0.0000 171.0522 29 V 5.0335 7.3817 117.0972 59.8305 35.0243 173.6136 30 A 5.1983 8.9135 123.4909 50.4847 23.3078 174.4237 31 E 5.1111 9.1873 120.0560 54.4265 33.2595 174.8186 32 V 4.9943 8.8524 125.6499 61.0900 35.4275 174.2579 33 R 5.1125 8.9711 123.2454 54.5846 32.8424 175.1515 34 L 4.6773 8.7254 122.5966 52.0895 44.7052 173.6586 35 P 4.9046 0.0000 0.0000 62.1956 30.5213 177.7572 *37 A 4.0213 8.4208 119.3480 51.1964 19.7407 177.1974 38 A 3.9673 8.5282 122.3486 55.7780 18.3419 179.3992 39 H 4.5780 7.9023 107.2482 56.5471 28.7640 175.6172 40 L 4.4454 7.5743 119.5107 55.0196 42.1477 177.0435 41 R 4.3279 7.6397 119.0433 55.8647 30.9084 176.4882 42 N 4.9124 8.7281 120.0257 51.6864 39.7249 175.7385 43 R 3.9564 8.5279 115.9977 59.3053 30.1613 177.8493 44 G 3.7129 8.0891 104.8728 45.4244 0.0000 174.4823 45 G 3.8613 8.2185 107.7245 45.8155 0.0000 174.2257 46 V 4.0844 7.0541 109.9408 62.4342 34.7926 174.4089 *48 H 4.7089 7.6851 117.4193 55.8539 32.2167 174.5699 49 G 3.5637 8.3539 113.6673 48.0016 0.0000 176.1205 50 G 3.7459 8.5396 107.1146 47.6150 0.0000 175.5982 51 A 4.1080 8.0174 122.6661 54.9354 18.2983 179.5197 52 L 4.0227 7.9273 116.6121 57.9954 41.8249 179.2279 53 F 4.2481 8.5660 119.6147 61.3397 39.6717 176.9738 54 S 4.5587 8.6949 115.0431 61.5460 62.6393 176.6715 55 L 3.8862 7.9525 119.6492 56.3901 41.6482 177.7929 *57 D 4.3876 7.9317 117.5594 53.9392 43.0909 176.8340 58 V 3.8160 7.9648 118.5461 66.4565 31.7019 179.1886 59 T 3.7897 8.0739 114.3679 64.0350 67.7556 176.3752 *61 G 3.7421 8.2329 112.6477 45.6308 0.0000 176.0454 62 L 3.8969 7.9416 120.0725 57.2707 41.3948 179.3755 63 A 3.8972 8.0705 120.9477 55.2764 18.2225 179.4301 64 C 3.7959 7.5366 114.5742 63.0934 28.2043 176.4252 65 S 3.3952 7.8027 116.9508 61.1393 61.9462 176.7423 66 S 4.1999 7.5688 115.6973 60.3927 62.9122 176.1950 67 S 4.2219 7.1436 116.9813 61.1316 62.5546 175.0466 68 H 4.5471 7.8328 114.7835 54.9765 29.4098 176.1677 69 G 4.0988 7.6389 108.1709 46.1162 0.0000 174.4137 70 F 4.2402 8.6685 118.3482 58.5453 39.2264 176.1292 71 D 4.6692 8.0787 119.1719 53.9006 39.8882 175.9305 72 R 4.7374 7.6654 118.2169 54.5080 33.7645 174.4004 73 Q 4.9279 8.1596 117.1059 54.3071 32.6372 174.7905 74 S 5.2249 8.5439 114.7294 57.0457 66.6777 173.3865 75 V 4.6900 8.4691 112.7034 59.5867 36.0235 175.2367 76 T 2.8281 8.1956 120.3679 63.7906 68.1344 174.3160 77 L 4.2839 8.5264 127.9410 57.1919 42.2676 176.8855 78 E 4.7672 7.6853 113.8723 56.0134 32.5739 173.5069 79 C 5.0290 8.3940 119.2123 58.3064 35.0609 172.7552 80 K 4.7577 9.2033 124.6149 54.6884 35.2151 174.7312 81 I 5.0315 8.4699 126.0969 59.2504 41.4146 173.6993 82 N 4.9478 9.1695 125.3711 51.6561 41.4376 173.0401 83 Y 4.8332 8.5026 120.6045 57.1485 38.9748 174.8477 84 I 4.4724 9.1637 125.5098 62.5573 38.7512 176.1662 85 R 4.6318 7.7195 114.1630 54.4058 32.3297 174.0894 86 A 4.2716 8.3319 121.4096 51.6669 19.3506 177.0638 87 V 4.2934 8.2611 119.9849 61.1318 33.2361 175.3138 88 A 4.5323 8.3915 129.2999 52.7676 20.4340 175.1059 89 D 4.4305 7.9967 112.9528 53.6825 42.3640 176.5809 90 G 3.8569 8.7173 106.2614 45.7275 0.0000 172.3809 91 E 4.9203 8.5118 119.3930 54.5478 33.0940 175.1296 92 V 4.7471 8.4193 112.2027 59.6750 35.5881 174.8909 93 R 5.0184 8.8767 121.4837 54.5855 33.4263 174.2246 94 C 5.2173 9.1537 124.1480 57.5625 34.3093 172.3718 95 V 4.8837 8.6335 125.6610 61.0446 33.8191 173.9813 96 A 5.3039 8.8870 129.2214 50.1583 22.5414 174.9033 97 R 4.9317 8.8311 120.4758 54.3213 33.6472 174.4671 98 V 4.0541 8.8614 127.8120 63.3654 31.2981 175.6347 99 L 4.4625 9.1560 128.4219 56.6449 43.0039 176.7711 100 H 4.7698 7.9923 117.4490 54.7577 33.5227 172.2065 101 A 4.7940 8.4859 127.3849 50.2774 20.1793 175.8201 102 G 3.9845 8.8742 111.3554 44.5382 0.0000 172.6587 103 R 4.0724 8.4906 115.0450 58.1834 29.7150 177.7070 104 R 4.5674 8.0085 116.0688 56.0719 32.7046 175.1443 105 S 5.2723 7.7052 110.5943 56.6811 67.0530 172.9569 106 L 5.3208 9.0486 120.3403 53.0474 45.5510 175.5630 107 V 4.9232 8.6554 122.4068 61.2683 34.0397 174.6243 108 V 4.9905 8.8728 126.6533 61.1086 35.2091 173.8233 109 E 5.2992 8.9418 123.8868 54.8920 33.0632 174.3731 110 A 5.2176 8.7273 120.7402 50.8015 23.3185 175.0946 111 E 5.0361 9.0877 117.2919 54.4979 33.5231 174.5869 112 V 4.9631 8.7645 121.8583 61.4222 34.1162 174.6473 113 R 5.1415 9.2096 125.6321 54.5731 35.3042 174.2104 114 Q 4.4975 8.8306 122.0482 53.5892 31.1247 176.4392 115 G 3.7433 8.7889 119.2398 47.1034 0.0000 172.0064 116 D 4.7024 8.9075 123.0189 52.8033 39.4047 175.5484 117 K 4.3872 7.9883 120.5744 54.9035 33.1354 175.4030 118 L 4.3985 8.4772 126.8822 54.8292 42.7796 175.8519 119 V 4.2278 8.9945 126.5409 64.6906 33.1236 175.2814 120 A 5.0496 7.6081 119.3699 50.8447 22.9331 174.8090 121 K 4.9123 8.8325 119.8405 55.1599 36.3233 175.3965 122 G 4.4469 9.0914 112.6499 45.6721 0.0000 171.0385 123 Q 5.0766 9.0694 120.0080 54.8572 33.0122 173.6215 124 G 4.7652 9.3591 112.3029 45.2655 0.0000 171.1037 125 T 5.3838 8.9229 115.5349 61.7288 72.1716 173.6986 126 F 5.1324 9.6771 124.3312 55.6020 42.9299 174.0854 127 A 4.9422 8.8463 124.1442 50.4604 20.8401 176.1449 128 Q 4.2810 8.9198 125.6405 55.8819 29.6845 175.9528 129 L 4.3454 8.4847 126.1572 54.9013 41.4652 176.7303 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 P 0.00 4.17 0.00 1.80 1.80 0.00 3.45 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.44 0.00 6 A 7.98 3.87 1.25 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 0.00 0.00 0.00 7 R 8.85 3.83 0.00 1.75 1.97 0.00 3.24 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 8 E 8.15 4.03 0.00 1.93 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 2.29 2.37 0.00 9 Q 7.68 4.24 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.29 0.00 0.00 0.00 0.00 0.00 1.96 2.31 0.00 *11 I 7.57 4.02 1.89 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 1.63 0.74 0.99 0.00 0.00 12 S 8.66 4.82 0.00 4.08 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 13 A 8.55 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 14 Y 8.06 4.11 0.00 3.10 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 15 S 8.32 4.08 0.00 4.13 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 16 E 8.33 3.92 0.00 2.20 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 2.40 2.48 0.00 17 L 7.61 3.90 0.00 1.69 1.70 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.22 3.68 1.82 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 0.80 0.00 0.00 0.31 0.00 0.00 19 G 7.38 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.70 4.31 0.00 1.54 1.62 0.94 0.74 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 21 D 8.97 4.59 0.00 2.75 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 1.97 1.99 0.00 3.69 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 2.04 2.11 0.00 23 V 8.82 4.34 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 0.79 0.00 0.00 0.95 0.00 0.00 24 S 7.59 4.75 0.00 3.89 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 25 L 8.43 5.11 0.00 1.52 1.60 1.06 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 26 G 9.05 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 27 D 8.67 4.43 0.00 2.62 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 9.31 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 29 V 7.38 5.03 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 0.80 0.00 0.00 0.94 0.00 0.00 30 A 8.91 5.20 1.25 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 0.00 0.00 0.00 31 E 9.19 5.11 0.00 2.00 1.74 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 2.18 2.40 0.00 32 V 8.85 4.99 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 1.01 0.00 0.00 0.94 0.00 0.00 33 R 8.97 5.11 0.00 1.99 2.00 0.00 2.78 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.54 0.00 34 L 8.73 4.68 0.00 1.73 1.53 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.90 0.00 2.21 1.51 0.00 3.99 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 *37 A 8.42 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.53 3.97 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 39 H 7.90 4.58 0.00 3.28 3.42 0.00 5.52 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.57 4.45 0.00 1.72 1.74 0.92 0.81 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 41 R 7.64 4.33 0.00 1.85 1.86 0.00 3.15 0.00 0.00 3.40 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 42 N 8.73 4.91 0.00 2.86 2.91 0.00 0.00 6.84 7.61 0.00 0.00 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 R 8.53 3.96 0.00 1.81 2.03 0.00 3.20 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 44 G 8.09 3.71 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 0.00 0.00 0.00 45 G 8.22 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 46 V 7.05 4.08 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 0.77 0.00 0.00 0.95 0.00 0.00 *48 H 7.69 4.71 0.00 3.39 3.20 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.35 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.54 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 51 A 8.02 4.11 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 52 L 7.93 4.02 0.00 2.15 1.98 1.10 0.98 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 53 F 8.57 4.25 0.00 3.24 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 54 S 8.69 4.56 0.00 4.22 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 55 L 7.95 3.89 0.00 1.77 1.95 0.97 1.27 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 *57 D 7.93 4.39 0.00 2.15 2.63 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 58 V 7.96 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 0.95 0.00 0.00 1.04 0.00 0.00 59 T 8.07 3.79 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 1.29 0.00 0.00 *61 G 8.23 3.74 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 0.00 0.00 0.00 62 L 7.94 3.90 0.00 1.88 1.78 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.07 3.90 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 64 C 7.54 3.80 0.00 2.68 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 65 S 7.80 3.40 0.00 3.17 2.63 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 66 S 7.57 4.20 0.00 4.22 4.10 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 67 S 7.14 4.22 0.00 3.73 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 68 H 7.83 4.55 0.00 3.23 3.44 0.00 5.81 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 69 G 7.64 4.10 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 0.00 0.00 0.00 70 F 8.67 4.24 0.00 3.07 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 71 D 8.08 4.67 0.00 2.82 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 72 R 7.67 4.74 0.00 2.03 1.68 0.00 3.09 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 73 Q 8.16 4.93 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 74 S 8.54 5.22 0.00 4.08 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 75 V 8.47 4.69 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 0.76 0.00 0.00 0.92 0.00 0.00 76 T 8.20 2.83 3.99 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 0.00 0.00 0.85 0.00 0.00 77 L 8.53 4.28 0.00 1.60 1.66 0.91 0.91 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 78 E 7.69 4.77 0.00 2.03 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 2.25 2.32 0.00 79 C 8.39 5.03 0.00 3.04 3.14 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 0.00 80 K 9.20 4.76 0.00 1.81 1.59 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.51 7.81 81 I 8.47 5.03 1.97 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.98 0.82 0.00 0.00 82 N 9.17 4.95 0.00 2.54 2.64 0.00 0.00 6.89 7.34 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 83 Y 8.50 4.83 0.00 2.93 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 84 I 9.16 4.47 2.04 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 1.30 0.58 0.99 0.00 0.00 85 R 7.72 4.63 0.00 1.88 1.87 0.00 3.04 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 86 A 8.33 4.27 1.25 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 0.00 0.00 0.00 87 V 8.26 4.29 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 0.86 0.00 0.00 0.96 0.00 0.00 88 A 8.39 4.53 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 89 D 8.00 4.43 0.00 2.72 2.63 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 90 G 8.72 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 91 E 8.51 4.92 0.00 2.15 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 2.16 2.29 0.00 92 V 8.42 4.75 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 0.73 0.00 0.00 1.02 0.00 0.00 93 R 8.88 5.02 0.00 1.68 1.89 0.00 3.46 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 94 C 9.15 5.22 0.00 2.94 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 95 V 8.63 4.88 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 0.93 0.00 0.00 0.92 0.00 0.00 96 A 8.89 5.30 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 97 R 8.83 4.93 0.00 1.80 1.70 0.00 3.08 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 98 V 8.86 4.05 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 0.80 0.00 0.00 0.84 0.00 0.00 99 L 9.16 4.46 0.00 1.62 1.71 0.93 1.03 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 0.00 100 H 7.99 4.77 0.00 3.22 3.10 0.00 5.80 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 0.00 101 A 8.49 4.79 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 0.00 102 G 8.87 3.98 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 0.00 0.00 0.00 103 R 8.49 4.07 0.00 1.93 2.08 0.00 2.99 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 104 R 8.01 4.57 0.00 1.87 1.97 0.00 3.09 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 105 S 7.71 5.27 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 0.00 106 L 9.05 5.32 0.00 1.66 1.61 1.05 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.66 4.92 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 1.02 0.00 0.00 0.97 0.00 0.00 108 V 8.87 4.99 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 0.97 0.00 0.00 0.72 0.00 0.00 109 E 8.94 5.30 0.00 2.14 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 2.16 2.20 0.00 110 A 8.73 5.22 1.18 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 0.00 111 E 9.09 5.04 0.00 2.00 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 2.16 2.21 0.00 112 V 8.76 4.96 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 1.07 0.00 0.00 0.93 0.00 0.00 113 R 9.21 5.14 0.00 1.72 1.90 0.00 3.11 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 114 Q 8.83 4.50 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.82 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 115 G 8.79 3.74 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 0.00 0.00 0.00 116 D 8.91 4.70 0.00 2.80 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 0.00 117 K 7.99 4.39 0.00 1.92 1.77 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.43 7.81 118 L 8.48 4.40 0.00 1.59 1.59 1.01 0.98 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 0.00 119 V 8.99 4.23 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 0.86 0.00 0.00 0.96 0.00 0.00 120 A 7.61 5.05 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 0.00 121 K 8.83 4.91 0.00 1.83 1.55 0.00 1.56 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.41 7.81 122 G 9.09 4.45 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 0.00 123 Q 9.07 5.08 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.49 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 124 G 9.36 4.77 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 0.00 0.00 0.00 125 T 8.92 5.38 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 1.25 0.00 0.00 126 F 9.68 5.13 0.00 2.84 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 0.00 127 A 8.85 4.94 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 0.00 128 Q 8.92 4.28 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 129 L 8.48 4.35 0.00 1.69 1.54 0.93 0.72 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 * Residues marked with a * may have inaccurate shift predictions.