NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.3217 0.0000 0.0000 62.3497 32.8120 175.2934 8 A 4.5185 8.3483 124.0715 49.2382 20.6253 175.3658 9 T 4.3233 8.6727 113.1846 62.9406 71.5614 172.1893 10 A 4.4317 7.1897 121.1492 51.3314 21.6428 175.1035 11 E 4.2263 8.5521 116.1714 56.5144 30.1425 176.5036 12 E 4.4059 8.3667 120.5859 55.3844 30.9625 177.5842 13 S 4.4093 8.3271 117.9022 57.9441 65.3852 175.5545 14 V 3.6165 8.2505 121.5831 66.3672 31.1631 177.9428 15 D 4.4000 8.0058 118.4322 57.2006 40.7010 178.9508 16 V 3.6518 7.6282 119.8826 64.8056 31.4777 178.6316 17 I 3.7396 7.7564 120.3359 64.2564 36.8571 178.5632 18 T 3.8329 8.0148 116.5790 66.7319 68.4647 176.3237 19 D 4.3374 8.3969 120.9078 57.5082 40.8722 178.9413 20 A 3.9945 7.7844 120.8835 55.1510 18.2851 179.7236 21 L 3.8115 7.9298 117.5666 57.4514 41.7019 179.4327 22 L 3.8715 8.1935 120.7902 58.5798 42.1824 179.2201 23 T 3.8439 7.7504 114.9417 66.5856 68.3486 176.4778 24 A 4.0019 8.0229 122.9526 55.1353 18.2761 179.8442 25 S 4.0578 8.3086 113.0211 61.6294 62.9426 177.0219 26 R 3.8805 7.8988 121.3133 58.8847 29.6889 178.7826 27 L 3.9433 7.8827 120.0198 58.0221 42.0393 178.9729 28 L 3.9675 8.0790 119.1075 57.7903 41.5498 179.7063 29 V 3.5563 8.1348 118.2000 65.6808 31.4443 177.6731 30 A 3.9724 8.2573 120.9636 55.4254 18.1908 179.6210 31 I 3.6453 7.8883 118.1843 64.8270 37.2219 178.9711 32 S 4.1062 8.3157 115.7641 61.3049 62.6129 176.6142 33 A 3.8852 8.4629 123.9643 55.3234 17.8911 178.9916 34 H 4.0132 8.1414 116.7150 59.5880 29.4208 177.6270 35 S 3.8812 7.9110 116.5613 61.5629 62.6622 176.5319 36 I 3.2724 8.0760 122.4177 64.5099 36.6623 178.4749 37 A 3.9074 7.7277 119.7348 55.1560 18.1946 179.4140 38 Q 3.9676 7.5293 115.7668 58.2452 28.6871 178.3595 39 V 4.2474 6.8453 117.8073 63.3041 32.1511 175.7553 40 D 4.4852 8.0334 121.8521 52.6617 42.8105 175.2309 41 E 3.9210 8.8158 124.9882 57.7595 30.1914 177.0542 42 N 4.7125 8.0402 115.9052 53.5461 40.1671 175.2482 43 I 3.8420 7.1971 118.9559 61.3678 38.4549 176.4243 44 T 4.3793 8.8192 118.9253 60.7281 71.4622 175.9035 45 I 3.7387 8.0970 120.5456 64.3795 37.2098 177.0163 46 P 4.3540 0.0000 0.0000 65.3108 31.1518 178.8749 47 Q 3.9856 7.8610 117.1029 59.0913 28.7181 178.5614 48 F 4.3149 8.3140 121.5971 61.2107 39.2660 177.4372 49 R 3.7887 8.1917 117.9968 59.2356 29.8594 178.8252 50 T 3.8152 7.8689 115.5857 66.8125 68.5258 176.3431 51 L 3.9133 7.6669 120.4898 57.8986 41.5889 179.9405 52 V 3.3996 7.3542 117.9854 65.7523 31.3970 178.0812 53 I 3.6803 7.8686 119.8466 64.4180 36.9986 178.3051 54 L 3.9548 7.9030 119.6507 57.9355 41.2449 179.4299 55 S 4.1139 7.7924 111.7036 61.6285 62.3488 175.6906 56 N 4.5237 8.1592 117.5992 55.2020 38.4925 176.0565 57 H 4.7706 8.0421 115.1158 55.1266 31.1332 174.9331 58 G 3.8157 8.6692 109.2778 43.5774 0.0000 170.6719 59 P 5.2211 0.0000 0.0000 62.5329 31.7042 176.3433 60 I 4.8547 8.1828 116.8236 59.0124 41.4483 174.3707 61 N 5.0928 8.5803 120.9332 51.8471 38.8406 175.8583 62 L 3.9111 8.7457 119.2075 57.9927 41.7789 179.4612 63 A 3.9677 8.0800 119.9685 55.6314 18.2756 179.6568 64 T 3.7570 8.5046 114.2295 66.6269 68.4863 176.4748 65 L 3.8497 8.0902 122.1472 58.1764 41.9929 178.5034 66 A 3.9668 8.4780 120.8358 55.7546 18.0298 179.6735 67 T 3.9219 7.4531 111.7662 66.9275 68.7158 176.8045 68 L 4.0736 7.7877 118.7619 56.7714 41.5815 178.2817 69 L 4.4348 7.4763 118.9163 53.9890 43.7425 175.8743 70 G 3.7018 8.8958 106.7594 46.5521 0.0000 174.3596 71 V 4.0104 7.4082 118.8338 60.5770 33.0597 176.0533 72 Q 4.6942 7.0760 120.7859 53.7362 28.5011 172.0774 73 P 4.8684 0.0000 0.0000 62.3301 31.8450 177.6031 74 S 3.9844 7.8151 115.6460 62.0672 61.5952 176.1698 75 A 4.0382 7.9422 122.6113 55.1665 17.9996 179.6506 76 T 4.1296 7.5189 114.6871 66.5808 68.4570 177.0414 77 G 3.6866 7.8599 107.9017 47.6853 0.0000 176.0078 78 R 3.7014 7.1875 115.2058 57.1789 29.8631 177.9046 *80 V 4.0084 7.8168 118.0507 62.6273 33.4289 176.9393 81 D 4.3188 8.1187 118.7161 57.2918 40.8541 178.4059 82 R 3.9324 7.8003 118.3436 59.4784 30.1536 179.1445 83 L 4.0371 7.8773 118.0328 57.3490 41.5500 179.5753 84 V 4.2407 7.6069 120.2872 65.5521 31.2906 178.2522 85 G 3.6293 7.9788 103.8176 47.7625 0.0000 174.9960 86 A 4.1414 8.2128 121.1644 52.2335 18.5100 177.0614 87 E 3.8202 8.1994 115.9648 57.6405 27.4985 175.2795 88 L 4.6282 8.4388 120.2795 55.1093 44.5086 176.9148 89 I 5.0507 7.6764 118.5272 59.4445 41.0429 174.3245 90 D 5.2423 9.3708 125.4394 52.6800 44.0001 175.2566 91 R 5.0044 8.4712 120.2631 54.8274 31.9391 175.7387 92 L 5.0048 9.0552 123.5132 51.8531 45.4400 174.4960 93 P 4.6675 0.0000 0.0000 62.9929 32.1800 175.4338 94 H 3.9312 8.7623 120.6804 56.7008 29.9471 174.4115 95 P 3.4507 0.0000 0.0000 60.8225 33.9467 178.6814 96 T 3.6078 7.6144 116.2813 62.4958 65.0645 175.8528 97 S 4.2966 9.0725 122.9589 59.1356 62.6827 173.2539 98 R 4.4533 8.4648 122.1016 56.6405 30.2762 176.3000 99 R 4.7414 7.5269 115.9448 55.0851 29.8362 174.2959 100 E 4.7994 7.8828 116.8125 56.0627 33.6351 173.4825 101 L 5.2129 8.4588 122.6587 52.9752 46.3514 175.2191 102 L 4.9752 9.2051 121.4135 53.0058 44.8886 175.3810 103 A 5.0916 9.0282 124.6178 50.9646 21.1287 176.0928 104 A 4.9092 8.8024 121.9346 50.0435 23.1698 175.8270 105 L 4.5305 8.5506 121.5730 55.1497 42.6600 178.2966 106 T 4.2921 8.6055 114.3642 60.6627 71.5996 175.4398 107 K 3.8690 8.5299 120.2451 59.8235 31.9013 178.8349 108 R 3.9982 7.9752 117.9316 59.1313 30.1886 178.8297 109 G 3.7317 7.9540 105.3665 48.0039 0.0000 175.7693 110 R 3.9284 8.1686 120.7681 59.0565 30.0554 178.8720 111 D 4.3650 8.3027 118.7248 57.3389 40.8025 178.6405 112 V 3.6179 8.1199 119.0733 66.3314 31.5517 178.1262 113 V 3.7419 7.8107 117.2808 66.2224 31.4795 177.9228 114 R 3.9407 8.1118 118.3067 59.7102 29.6423 178.5027 115 Q 4.0243 8.3452 117.3548 58.7795 29.1148 178.4318 116 V 3.7935 7.9870 119.5343 66.0510 31.5469 178.2838 117 T 3.8747 7.9361 115.2638 65.8868 68.5269 174.6823 118 E 4.1671 7.3058 119.1196 58.1652 29.8484 175.8270 119 H 4.8715 8.6136 126.1062 56.4104 27.0318 177.6884 120 R 3.9139 8.4067 116.7228 59.4969 30.1307 178.9715 121 R 3.8993 8.4941 118.5730 60.0681 29.9860 178.5604 122 T 3.8639 7.8698 114.6141 66.6298 68.5428 176.1680 123 E 3.9181 8.8479 121.5208 59.2160 29.6833 178.8786 124 I 3.6725 8.2093 120.0604 64.3955 37.1631 178.1867 125 A 4.0297 8.1453 121.6257 55.0519 17.9302 179.4894 126 R 3.8079 7.9033 116.1788 59.8315 30.5800 178.4245 127 I 3.8279 7.7368 119.4002 64.5014 36.8796 178.7071 128 V 3.6409 8.0503 118.3442 65.9214 31.4206 177.5893 129 E 4.0774 8.2431 117.7003 58.6805 30.3109 177.6580 130 Q 4.1721 7.6014 118.7976 54.9107 28.3341 176.2700 *132 A 4.1241 7.4468 119.5852 51.1255 21.1485 175.0136 133 P 4.1708 0.0000 0.0000 66.0241 31.4888 179.0223 134 A 4.0297 7.9777 118.6740 55.1829 18.2730 179.4172 135 E 3.9532 8.1211 116.6959 59.5580 29.7542 179.3929 136 R 3.9140 7.9671 118.1131 59.5989 30.1082 178.6456 137 H 4.2207 8.1170 117.6818 59.1128 29.8731 177.4473 138 G 3.7044 8.2583 107.6323 47.6619 0.0000 175.3979 139 L 3.9076 8.1288 122.5692 57.9978 42.2027 178.9313 140 V 3.5680 7.5306 117.7542 66.1436 31.3139 177.8530 141 R 3.8330 8.0992 117.8096 59.5097 30.0440 178.2965 142 A 4.0255 8.3567 120.8881 55.2734 18.3634 179.5905 143 L 4.1397 8.1852 117.6687 57.7715 41.7010 179.7540 144 T 3.9428 8.0869 109.8811 64.6986 68.6808 176.5741 145 A 3.9924 8.2426 123.7999 54.8931 18.3374 179.4496 146 F 4.1584 8.3338 118.9971 61.6319 39.2598 177.5168 147 T 3.7645 7.8670 114.5028 66.6936 68.3251 176.0306 148 E 4.0527 8.1574 119.1489 59.4372 29.6773 179.0843 149 A 4.2082 7.8414 120.7128 54.4627 18.0706 178.3300 150 G 4.0339 7.3003 102.8881 43.7386 0.0000 174.1428 151 G 3.4985 7.0525 110.6432 46.3105 0.0000 174.1924 152 E 4.0213 8.8059 124.2340 56.6246 30.4216 173.7063 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 7 P 0.00 4.32 0.00 2.06 2.05 0.00 3.63 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 1.92 2.09 0.00 8 A 8.35 4.52 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 9 T 8.67 4.32 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 10 A 7.19 4.43 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 11 E 8.55 4.23 0.00 1.98 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 2.32 2.33 0.00 12 E 8.37 4.41 0.00 1.96 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 2.28 2.35 0.00 13 S 8.33 4.41 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.25 3.62 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.95 0.00 0.00 15 D 8.01 4.40 0.00 2.76 2.69 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 16 V 7.63 3.65 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 0.92 0.00 0.00 0.93 0.00 0.00 17 I 7.76 3.74 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.82 0.93 0.00 0.00 18 T 8.01 3.83 4.42 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 1.22 0.00 0.00 19 D 8.40 4.34 0.00 2.72 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 20 A 7.78 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 21 L 7.93 3.81 0.00 1.78 1.40 0.70 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.19 3.87 0.00 1.91 1.69 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.75 3.84 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 1.19 0.00 0.00 24 A 8.02 4.00 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 25 S 8.31 4.06 0.00 4.03 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 26 R 7.90 3.88 0.00 2.10 2.00 0.00 3.11 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 27 L 7.88 3.94 0.00 1.77 1.79 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.08 3.97 0.00 2.05 1.71 0.92 0.71 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 29 V 8.13 3.56 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 0.95 0.00 0.00 0.94 0.00 0.00 30 A 8.26 3.97 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 31 I 7.89 3.65 2.06 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 1.52 0.82 0.93 0.00 0.00 32 S 8.32 4.11 0.00 3.97 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 33 A 8.46 3.89 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.14 4.01 0.00 3.25 3.57 0.00 5.79 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 35 S 7.91 3.88 0.00 3.87 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 36 I 8.08 3.27 1.72 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.46 0.63 0.00 0.00 37 A 7.73 3.91 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 38 Q 7.53 3.97 0.00 1.90 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.04 0.00 39 V 6.85 4.25 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 0.83 0.00 0.00 1.03 0.00 0.00 40 D 8.03 4.49 0.00 2.64 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.82 3.92 0.00 2.09 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 2.26 2.31 0.00 42 N 8.04 4.71 0.00 2.74 2.89 0.00 0.00 6.89 7.59 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 43 I 7.20 3.84 2.08 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 1.46 0.95 0.94 0.00 0.00 44 T 8.82 4.38 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 45 I 8.10 3.74 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.90 0.96 0.00 0.00 46 P 0.00 4.35 0.00 2.17 2.11 0.00 3.63 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 2.13 2.19 0.00 47 Q 7.86 3.99 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 48 F 8.31 4.31 0.00 3.12 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.19 3.79 0.00 2.06 1.93 0.00 3.23 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 50 T 7.87 3.82 4.42 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 1.19 0.00 0.00 51 L 7.67 3.91 0.00 1.74 1.53 0.92 0.95 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 52 V 7.35 3.40 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 0.93 0.00 0.00 0.27 0.00 0.00 53 I 7.87 3.68 1.97 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 1.50 0.44 0.86 0.00 0.00 54 L 7.90 3.95 0.00 1.81 1.70 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.79 4.11 0.00 3.83 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.16 4.52 0.00 2.94 2.79 0.00 0.00 6.87 7.67 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 57 H 8.04 4.77 0.00 3.19 3.31 0.00 5.91 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 58 G 8.67 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 5.22 0.00 1.94 2.02 0.00 3.68 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 60 I 8.18 4.85 1.85 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 1.57 1.13 0.96 0.00 0.00 61 N 8.58 5.09 0.00 2.91 3.13 0.00 0.00 6.73 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 62 L 8.75 3.91 0.00 1.70 1.76 0.92 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 63 A 8.08 3.97 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 64 T 8.50 3.76 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 65 L 8.09 3.85 0.00 1.71 1.82 0.89 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.48 3.97 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 67 T 7.45 3.92 4.35 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 1.19 0.00 0.00 68 L 7.79 4.07 0.00 1.72 1.68 0.85 0.53 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 69 L 7.48 4.43 0.00 1.78 1.84 0.91 1.53 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 70 G 8.90 3.70 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 0.00 0.00 0.00 71 V 7.41 4.01 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 0.79 0.00 0.00 0.93 0.00 0.00 72 Q 7.08 4.69 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 73 P 0.00 4.87 0.00 2.26 2.30 0.00 3.86 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 1.98 1.88 0.00 74 S 7.82 3.98 0.00 3.88 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 75 A 7.94 4.04 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 76 T 7.52 4.13 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 77 G 7.86 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 0.00 0.00 0.00 78 R 7.19 3.70 0.00 1.87 2.06 0.00 3.18 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 *80 V 7.82 4.01 2.13 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 0.99 0.00 0.00 0.98 0.00 0.00 81 D 8.12 4.32 0.00 2.97 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.80 3.93 0.00 1.86 1.97 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 83 L 7.88 4.04 0.00 1.84 1.73 0.93 0.86 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 84 V 7.61 4.24 2.26 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 1.47 0.00 0.00 1.04 0.00 0.00 85 G 7.98 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 86 A 8.21 4.14 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 87 E 8.20 3.82 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 88 L 8.44 4.63 0.00 1.67 1.70 0.96 0.83 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 89 I 7.68 5.05 1.87 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 1.34 1.13 0.96 0.00 0.00 90 D 9.37 5.24 0.00 2.55 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.47 5.00 0.00 1.69 1.85 0.00 3.15 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 92 L 9.06 5.00 0.00 1.51 1.51 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.67 0.00 2.08 2.06 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 94 H 8.76 3.93 0.00 3.36 3.46 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 3.45 0.00 2.01 1.83 0.00 3.16 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.07 0.00 96 T 7.61 3.61 4.31 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 1.29 0.00 0.00 97 S 9.07 4.30 0.00 3.76 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 98 R 8.46 4.45 0.00 1.95 2.03 0.00 3.03 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 99 R 7.53 4.74 0.00 1.82 1.96 0.00 3.04 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 100 E 7.88 4.80 0.00 1.96 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 2.25 2.30 0.00 101 L 8.46 5.21 0.00 1.63 1.49 0.93 0.53 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 0.00 102 L 9.21 4.98 0.00 1.52 1.54 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 103 A 9.03 5.09 1.21 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 0.00 104 A 8.80 4.91 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 0.00 105 L 8.55 4.53 0.00 1.54 1.62 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.61 4.29 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 1.23 0.00 0.00 107 K 8.53 3.87 0.00 1.84 1.86 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.54 7.81 108 R 7.98 4.00 0.00 2.02 1.97 0.00 3.37 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 109 G 7.95 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 0.00 110 R 8.17 3.93 0.00 2.03 2.00 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 111 D 8.30 4.37 0.00 2.91 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.12 3.62 2.32 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 1.16 0.00 0.00 1.02 0.00 0.00 113 V 7.81 3.74 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 0.92 0.00 0.00 0.93 0.00 0.00 114 R 8.11 3.94 0.00 1.91 2.14 0.00 3.36 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 115 Q 8.35 4.02 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 116 V 7.99 3.79 2.41 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 0.93 0.00 0.00 0.91 0.00 0.00 117 T 7.94 3.87 4.46 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 1.24 0.00 0.00 118 E 7.31 4.17 0.00 2.05 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 119 H 8.61 4.87 0.00 3.44 3.62 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.41 3.91 0.00 2.20 2.02 0.00 3.20 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 121 R 8.49 3.90 0.00 1.94 1.96 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 122 T 7.87 3.86 4.41 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 1.23 0.00 0.00 123 E 8.85 3.92 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 124 I 8.21 3.67 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.44 0.92 0.00 0.00 125 A 8.15 4.03 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 0.00 126 R 7.90 3.81 0.00 1.93 2.12 0.00 3.26 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 127 I 7.74 3.83 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.74 0.90 0.00 0.00 128 V 8.05 3.64 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 0.83 0.00 0.00 0.97 0.00 0.00 129 E 8.24 4.08 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 2.35 2.43 0.00 130 Q 7.60 4.17 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.42 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 *132 A 7.45 4.12 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 0.00 133 P 0.00 4.17 0.00 2.17 2.15 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 134 A 7.98 4.03 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 0.00 135 E 8.12 3.95 0.00 2.19 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 2.40 2.40 0.00 136 R 7.97 3.91 0.00 2.06 2.00 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 137 H 8.12 4.22 0.00 3.36 3.39 0.00 5.60 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 0.00 138 G 8.26 3.70 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 0.00 0.00 0.00 139 L 8.13 3.91 0.00 1.76 1.85 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 140 V 7.53 3.57 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 0.90 0.00 0.00 0.96 0.00 0.00 141 R 8.10 3.83 0.00 1.95 2.11 0.00 3.18 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 142 A 8.36 4.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.19 4.14 0.00 1.74 1.77 0.92 0.44 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 0.00 144 T 8.09 3.94 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 1.29 0.00 0.00 145 A 8.24 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 146 F 8.33 4.16 0.00 3.17 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 0.00 147 T 7.87 3.76 4.43 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 1.21 0.00 0.00 148 E 8.16 4.05 0.00 2.04 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 2.58 2.47 0.00 149 A 7.84 4.21 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 0.00 150 G 7.30 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 0.00 151 G 7.05 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.81 4.02 0.00 2.24 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 2.14 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.