NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.5696 8.6498 117.6178 52.7856 37.8827 172.0430 2 F 4.9149 7.6825 112.7678 54.3573 41.3818 171.9505 3 M 4.9209 10.0974 116.6824 53.5469 34.6151 175.6934 4 L 5.2853 8.5003 119.9867 53.3495 44.8002 174.9725 5 N 5.3615 9.2054 120.5426 51.4767 41.7323 173.5007 6 Q 5.5984 8.8478 121.2093 52.1641 32.3566 173.4098 7 P 4.5722 0.0000 0.0000 63.1692 32.2873 175.9984 8 H 4.5020 8.8823 117.5994 58.9303 30.0279 175.5740 9 S 5.2623 7.7510 112.2402 55.8479 67.6580 173.4675 *11 V 4.5520 8.2036 122.0667 63.0723 32.7614 173.6852 12 S 5.2989 8.4692 121.8136 56.8317 64.5588 172.5303 13 E 4.7511 8.5030 124.7330 55.1884 33.1489 174.5460 14 S 4.6268 8.5887 121.7247 57.3895 64.4027 172.0465 15 P 4.0741 0.0000 0.0000 64.5253 31.4324 177.1472 16 G 3.8860 8.8371 109.1208 45.2217 0.0000 173.1700 17 K 4.4438 7.3820 118.6495 55.1019 35.3901 175.1141 18 T 4.8951 8.2222 118.0962 62.3674 69.6453 174.9358 19 V 4.3677 8.5004 126.7029 60.0864 34.1882 174.8067 20 T 4.8566 8.3318 119.5161 61.7646 71.2646 173.2035 21 I 4.5041 8.5342 127.8001 59.4779 39.6646 174.8177 22 S 5.4103 8.7261 121.5507 56.6920 66.4322 173.6418 23 C 5.3802 9.8338 121.7226 55.4948 47.6328 172.5038 24 T 5.0082 8.7722 123.7274 62.0002 70.3563 173.9013 25 R 4.8539 8.4891 127.3594 55.5929 30.4724 176.5007 26 S 4.5934 8.7542 120.8270 60.3025 63.9878 174.5241 27 S 4.3791 8.1343 111.9200 58.4179 64.8734 175.7879 27A G 3.9332 8.7003 108.7927 45.1077 0.0000 172.5934 27B N 4.5953 8.1222 116.2612 52.3619 39.1519 176.5626 28 I 3.4141 8.6582 124.0653 63.9162 37.9580 176.9750 29 A 4.1095 7.8008 122.2985 54.4454 18.5704 179.3938 30 S 3.9063 7.5233 111.5110 61.0620 63.0614 174.3709 31 N 4.9417 7.2225 115.3660 51.1722 42.1772 173.9148 32 Y 4.4141 8.2780 118.8521 58.3018 38.8511 175.0537 33 V 4.5468 9.3074 124.3950 61.4634 33.5746 174.5315 34 Q 5.0120 8.7989 127.0410 53.9999 31.6554 174.4734 35 W 5.2218 8.9567 121.9609 55.1465 32.4145 174.2997 36 Y 5.4612 9.6955 121.4735 56.3130 41.2214 174.2419 37 Q 4.7839 9.1077 123.7321 54.4215 31.8184 174.1143 38 Q 4.8228 8.5249 126.2975 54.2437 33.4163 173.8342 *42 S 4.3830 8.5108 115.3288 57.5251 64.0643 173.7005 43 A 4.1349 8.2814 124.4782 51.2888 18.8327 175.8702 44 P 4.5787 0.0000 0.0000 63.0280 32.1287 176.0033 45 I 4.7923 8.1873 115.1572 59.1574 40.7227 174.8428 46 T 4.5406 8.8419 121.8760 64.1522 68.2444 174.4879 47 V 4.3213 8.9336 119.7624 61.6698 34.2093 176.4188 48 I 5.1119 7.7815 120.2777 59.5890 41.3461 174.0754 49 Y 4.9456 8.5609 123.5965 54.9880 41.8245 174.5626 50 E 3.4883 10.1083 117.6357 57.7418 27.7396 175.1168 51 D 5.2347 9.6860 125.3319 54.9516 40.5688 177.0678 52 N 4.9655 7.6220 109.6677 53.2047 39.0347 173.2934 53 Q 4.1856 8.1468 119.8000 55.1305 30.2168 174.9872 54 R 4.8422 8.3865 123.8747 54.6118 31.2380 174.8510 55 P 4.7720 0.0000 0.0000 62.3935 32.9927 175.9773 56 S 4.3066 8.5583 116.6695 60.4457 63.1022 175.1806 57 G 3.9295 9.0848 112.9291 44.9800 0.0000 173.2624 58 V 3.9952 7.1057 119.5850 60.2657 32.5536 173.9368 59 P 4.5179 0.0000 0.0000 62.6542 31.8370 177.1470 60 D 4.4798 8.7097 120.1273 57.3115 41.1070 178.0070 61 R 4.0635 8.1388 115.2508 58.2470 30.3815 176.3413 62 F 4.8537 8.4423 119.4556 56.5334 40.1606 175.3195 63 A 4.6035 8.8450 124.9163 50.2517 22.3675 174.9056 64 G 4.4872 8.9934 109.6957 44.0837 0.0000 172.9796 65 S 4.9369 9.2993 119.2214 57.3073 67.1351 173.2912 66 I 4.9378 8.3494 120.0216 58.8536 38.7288 175.7314 66A D 4.7417 9.2726 127.3152 51.4811 41.9748 176.6826 66B R 3.9862 8.5919 126.2777 58.8798 30.4180 179.4303 67 S 4.2910 8.0658 111.3068 60.0027 63.1628 174.8802 68 S 4.5527 7.7889 113.2850 56.8569 63.8134 172.9959 69 N 4.1170 8.0981 119.0034 54.9778 37.8730 173.0395 70 S 5.2870 8.0980 109.3053 56.5009 67.4158 173.1573 71 A 5.3578 9.3649 122.3320 50.5039 22.1809 175.6362 72 S 5.1853 9.4639 115.5218 56.6925 67.6030 172.8120 73 L 4.3939 8.0875 125.9268 53.3137 44.0499 174.9677 74 T 4.7609 8.8548 123.1848 61.6966 71.5616 173.0054 75 I 4.4411 8.4347 127.9447 59.5006 39.1714 175.4452 76 S 4.3506 8.6648 123.9837 57.6799 63.9073 174.7430 77 G 3.9365 8.4057 108.8638 45.5473 0.0000 173.1961 78 L 3.9887 7.7176 119.1452 55.4267 43.1020 177.4640 79 K 4.8795 9.2612 120.1858 54.4946 36.1363 177.9579 80 T 3.9224 8.5354 111.9355 64.5645 68.9201 176.3394 81 E 4.0619 8.2134 119.1758 59.0996 29.5873 177.6422 82 D 4.6981 8.1184 118.1641 55.8301 41.0050 176.1352 83 E 4.1265 8.2284 119.0492 56.6148 29.2434 175.7894 84 A 4.3383 8.1114 124.5203 51.7329 23.0695 173.5026 85 D 4.7084 8.4121 117.9814 53.5605 42.6146 175.7812 86 Y 4.9841 8.2166 121.2095 56.3919 40.6759 174.3431 87 Y 5.7368 9.1869 122.0467 56.4792 41.7279 172.9113 88 C 4.4149 8.8957 117.6332 54.4865 42.3500 171.9945 89 Q 5.2711 7.9607 118.7053 56.1693 32.8199 173.0990 90 S 4.3651 8.0157 118.5366 56.8579 66.4555 171.3421 91 Y 5.3023 8.1005 116.6768 56.4685 41.0888 176.0711 92 D 4.7254 9.0358 120.4249 53.6811 41.6107 173.9128 93 A 4.0900 9.1779 123.9075 50.5776 17.3418 175.8463 94 R 4.2541 8.8606 121.7270 54.4485 25.9050 177.8605 95 N 4.4101 9.4314 121.8471 54.1112 38.3204 174.3217 96 V 5.0741 7.8680 110.2694 59.7292 36.1128 175.2685 97 V 4.4300 8.1809 120.3414 61.3187 34.9726 173.9268 98 F 5.2416 8.7569 124.8302 55.3586 41.4248 175.5660 99 G 4.2986 8.4439 109.5647 45.2611 0.0000 175.0069 100 G 3.4833 8.8649 109.6215 46.6624 0.0000 175.2527 101 G 4.9809 8.7751 104.0284 45.9271 0.0000 172.9908 102 T 5.0212 8.0824 114.7275 61.7120 72.6505 173.0322 103 R 4.6661 9.2504 127.9998 54.8284 31.2085 174.8591 104 L 4.8163 8.7593 129.6471 54.7228 43.6709 175.0396 105 T 4.6876 8.6891 123.6161 61.9100 71.0573 173.8253 106 V 4.6208 7.9930 124.9548 61.3973 32.5143 175.7436 107 L 4.2392 8.3625 128.7814 54.5957 43.1350 177.7115 108 G 4.0030 8.5594 107.8129 46.0369 0.0000 173.4708 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 1 N 8.65 5.57 0.00 2.56 2.75 0.00 0.00 5.85 6.55 0.00 0.00 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 F 7.68 4.91 0.00 3.08 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 3 M 10.10 4.92 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 4 L 8.50 5.29 0.00 1.72 1.62 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 5 N 9.21 5.36 0.00 2.64 2.72 0.00 0.00 6.29 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.85 5.60 0.00 2.23 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.06 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 7 P 0.00 4.57 0.00 2.23 2.13 0.00 3.97 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 8 H 8.88 4.50 0.00 3.20 3.49 0.00 5.57 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 9 S 7.75 5.26 0.00 3.76 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 *11 V 8.20 4.55 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 1.26 0.00 0.00 0.96 0.00 0.00 12 S 8.47 5.30 0.00 3.90 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 13 E 8.50 4.75 0.00 2.08 1.66 0.00 0.00 0.00 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 2.27 0.00 14 S 8.59 4.63 0.00 3.80 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 15 P 0.00 4.07 0.00 2.02 2.00 0.00 3.69 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 2.03 2.10 0.00 16 G 8.84 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.38 4.44 0.00 1.84 1.68 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.36 7.81 18 T 8.22 4.90 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 19 V 8.50 4.37 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 0.62 0.00 0.00 0.81 0.00 0.00 20 T 8.33 4.86 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 21 I 8.53 4.50 1.48 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.60 1.01 0.00 0.00 22 S 8.73 5.41 0.00 3.94 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 23 C 9.83 5.38 0.00 3.14 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 24 T 8.77 5.01 4.27 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 1.22 0.00 0.00 25 R 8.49 4.85 0.00 1.60 1.76 0.00 2.26 0.00 0.00 2.88 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.80 0.00 26 S 8.75 4.59 0.00 4.00 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 27 S 8.13 4.38 0.00 3.97 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 27A G 8.70 3.93 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 0.00 0.00 0.00 27B N 8.12 4.60 0.00 2.76 2.67 0.00 0.00 6.42 7.28 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 28 I 8.66 3.41 1.83 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.54 0.90 0.00 0.00 29 A 7.80 4.11 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 30 S 7.52 3.91 0.00 4.03 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 7.22 4.94 0.00 2.39 2.66 0.00 0.00 7.02 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 32 Y 8.28 4.41 0.00 3.06 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 33 V 9.31 4.55 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 0.57 0.00 0.00 0.81 0.00 0.00 34 Q 8.80 5.01 0.00 1.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 35 W 8.96 5.22 0.00 3.20 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 9.70 5.46 0.00 3.21 3.03 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 37 Q 9.11 4.78 0.00 2.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.63 0.00 0.00 0.00 0.00 0.00 1.91 1.56 0.00 38 Q 8.52 4.82 0.00 2.19 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.31 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 *42 S 8.51 4.38 0.00 4.04 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.28 4.13 1.24 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 0.00 0.00 44 P 0.00 4.58 0.00 1.82 2.01 0.00 3.53 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 1.80 2.04 0.00 45 I 8.19 4.79 1.93 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 1.25 0.99 0.99 0.00 0.00 46 T 8.84 4.54 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 1.31 0.00 0.00 47 V 8.93 4.32 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 0.59 0.00 0.00 1.19 0.00 0.00 48 I 7.78 5.11 2.19 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 1.48 0.93 1.07 0.00 0.00 49 Y 8.56 4.95 0.00 2.91 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 50 E 10.11 3.49 0.00 1.70 1.50 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 1.47 2.12 0.00 51 D 9.69 5.23 0.00 2.92 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 7.62 4.97 0.00 2.72 2.98 0.00 0.00 5.99 7.39 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 53 Q 8.15 4.19 0.00 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 6.98 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 54 R 8.39 4.84 0.00 1.69 1.88 0.00 3.50 0.00 0.00 3.61 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 55 P 0.00 4.77 0.00 2.17 2.28 0.00 3.95 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 56 S 8.56 4.31 0.00 3.89 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 57 G 9.08 3.93 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 0.00 0.00 0.00 58 V 7.11 4.00 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 0.61 0.00 0.00 0.86 0.00 0.00 59 P 0.00 4.52 0.00 2.45 2.25 0.00 3.44 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 2.40 2.11 0.00 60 D 8.71 4.48 0.00 2.72 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 61 R 8.14 4.06 0.00 1.97 2.19 0.00 2.85 0.00 0.00 3.56 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.39 0.00 62 F 8.44 4.85 0.00 3.00 3.01 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 63 A 8.85 4.60 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.99 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 65 S 9.30 4.94 0.00 3.84 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 8.35 4.94 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 1.23 0.84 0.91 0.00 0.00 66A D 9.27 4.74 0.00 2.71 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66B R 8.59 3.99 0.00 1.89 1.94 0.00 3.15 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 67 S 8.07 4.29 0.00 4.01 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 68 S 7.79 4.55 0.00 3.95 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.10 4.12 0.00 2.92 2.79 0.00 0.00 6.68 7.80 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 70 S 8.10 5.29 0.00 4.06 4.04 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 71 A 9.36 5.36 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 72 S 9.46 5.19 0.00 3.69 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.09 4.39 0.00 0.27 0.13 0.67 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.85 4.76 4.09 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 1.11 0.00 0.00 75 I 8.43 4.44 1.44 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.24 -0.00 0.00 0.00 76 S 8.66 4.35 0.00 3.67 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 77 G 8.41 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.72 3.99 0.00 1.68 1.58 0.84 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 79 K 9.26 4.88 0.00 1.93 1.67 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.50 7.81 80 T 8.54 3.92 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 1.22 0.00 0.00 81 E 8.21 4.06 0.00 2.14 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 0.00 2.33 2.43 0.00 82 D 8.12 4.70 0.00 2.88 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 83 E 8.23 4.13 0.00 2.20 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 2.61 2.26 0.00 84 A 8.11 4.34 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.41 4.71 0.00 2.54 1.83 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 86 Y 8.22 4.98 0.00 2.98 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 87 Y 9.19 5.74 0.00 3.32 3.13 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 88 C 8.90 4.41 0.00 1.85 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 89 Q 7.96 5.27 0.00 1.40 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.53 0.00 0.00 0.00 0.00 0.00 1.77 1.20 0.00 90 S 8.02 4.37 0.00 3.72 3.78 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 91 Y 8.10 5.30 0.00 2.94 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 92 D 9.04 4.73 0.00 2.74 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 93 A 9.18 4.09 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 94 R 8.86 4.25 0.00 1.88 2.08 0.00 3.24 0.00 0.00 3.27 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 95 N 9.43 4.41 0.00 2.91 2.98 0.00 0.00 5.69 7.68 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 96 V 7.87 5.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.00 0.00 0.00 97 V 8.18 4.43 1.58 0.00 0.00 0.00 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 0.26 0.00 0.00 98 F 8.76 5.24 0.00 2.85 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 99 G 8.44 4.30 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 0.00 100 G 8.86 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.78 4.98 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 0.00 102 T 8.08 5.02 4.38 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 1.31 0.00 0.00 103 R 9.25 4.67 0.00 1.92 1.87 0.00 3.16 0.00 0.00 3.23 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 104 L 8.76 4.82 0.00 1.81 1.71 0.85 0.67 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 0.00 105 T 8.69 4.69 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 1.27 0.00 0.00 106 V 7.99 4.62 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 0.75 0.00 0.00 0.95 0.00 0.00 107 L 8.36 4.24 0.00 1.57 1.60 0.94 1.02 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 0.00 108 G 8.56 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.