NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7879 8.3549 109.7358 45.3028 0.0000 172.8463 *2 E 4.1030 7.8467 121.6805 55.3750 31.1133 174.2366 3 P 4.1125 0.0000 0.0000 63.1565 32.0265 176.8304 4 S 4.1271 8.6158 116.6140 58.1951 63.2497 174.7815 5 A 4.0559 8.7318 131.6647 55.0610 18.0291 179.1061 6 K 3.4991 7.8809 117.7717 59.9961 32.3410 178.6944 7 H 4.2073 8.1731 116.0036 58.6129 28.6090 177.7882 8 L 4.0072 8.1253 120.9424 58.0336 41.4832 179.6570 9 Q 4.1578 8.4004 117.9215 58.5866 28.6374 178.5589 10 L 3.4349 7.8294 121.7201 58.1438 42.1332 179.0260 11 Q 3.8451 7.7384 117.4353 59.1828 28.4788 179.0382 12 T 3.8034 7.9997 116.7887 66.4648 68.4087 176.4329 13 L 3.8991 7.8731 122.2179 58.1790 41.8682 179.0246 14 L 3.7358 7.7120 118.8184 57.5948 41.4238 179.8752 15 S 4.0351 7.8165 115.0341 61.6256 62.8349 176.5143 16 E 3.4474 8.1701 121.5596 59.0286 29.0929 179.3768 17 R 3.7893 8.0090 119.1781 59.4678 29.8554 178.0930 18 H 3.8190 7.3776 115.2531 59.1526 30.0058 176.4293 19 A 4.0877 7.4960 121.0779 55.8410 18.3256 179.0323 20 Y 4.5190 7.7071 114.8234 60.8151 37.3988 178.1077 21 L 4.0377 7.7098 118.7015 55.7001 41.6682 177.8950 *23 E 4.2581 8.2208 119.0494 54.0772 31.2512 175.4072 24 G 3.7808 7.6151 104.6782 46.8348 0.0000 174.5265 25 N 4.5588 8.2034 120.1409 51.6619 37.6948 174.1916 26 R 3.9647 8.4281 126.5517 59.5851 30.5868 178.4340 27 E 4.0549 8.2722 113.2731 59.0858 29.8560 181.6936 28 A 3.7908 7.6574 120.9593 52.3784 17.7505 178.8157 *30 H 4.6362 8.3033 121.2088 57.9173 31.5319 175.5119 31 Q 4.1156 7.6718 116.0151 58.7515 28.7759 177.5090 32 L 4.3901 7.7093 117.2262 56.9040 42.8122 177.3263 33 L 4.6514 7.6194 119.5954 53.8005 41.9094 177.4547 34 S 4.6257 9.3103 118.9963 58.1660 63.9777 175.6140 35 S 4.3047 8.9197 115.3447 60.7890 63.1195 174.5541 36 D 4.9288 7.9611 119.6974 53.6041 41.1177 175.8149 37 F 4.4908 7.8292 121.6383 59.3564 39.8671 174.5658 38 S 4.5257 7.8135 118.3067 56.5954 67.0906 172.5166 39 F 4.3215 8.5736 122.9298 56.3862 42.5005 173.2246 40 I 5.0410 7.8864 127.8765 59.5476 39.1256 175.8758 41 D 5.0818 9.2167 127.7095 52.1507 40.5960 177.3596 42 G 3.9020 8.5519 107.1819 47.3976 0.0000 174.1860 43 Q 4.2861 8.4369 117.5295 55.7238 29.3257 176.4958 44 G 3.9205 8.5672 106.9856 45.1779 0.0000 173.4756 45 R 4.0550 8.3387 121.2550 55.9856 31.2315 174.9310 46 Q 5.0685 8.4674 127.5282 54.9184 30.4724 174.3624 47 F 5.1029 9.7841 125.4358 54.9164 42.3860 175.5137 48 D 4.9481 8.6832 121.8754 51.8458 41.3237 176.4584 49 A 4.0773 8.6846 119.5694 56.1088 17.9455 179.3058 50 E 3.9407 8.2444 115.3085 59.8974 29.2507 179.8455 51 T 4.1767 8.6621 109.5474 64.4668 68.9484 176.2211 52 Y 4.0010 8.5038 122.8083 60.6880 38.8784 178.0269 53 L 3.6841 8.0950 119.7893 57.9190 41.4935 179.2609 54 D 4.2919 7.8868 117.6632 57.3425 40.7770 177.8683 55 H 4.4936 7.7434 114.7971 57.0431 29.4636 176.1776 56 Y 4.5287 7.6860 116.0288 57.3855 40.2336 175.8745 57 V 4.4351 7.6340 118.8162 61.5663 31.9168 175.8330 58 D 4.5282 7.6080 119.2735 52.1943 43.3383 173.3109 59 P 5.1276 0.0000 0.0000 63.4867 31.4178 177.0578 60 D 4.5556 8.3201 118.0962 55.3678 41.4559 176.8770 61 Q 4.1320 8.1557 117.5005 56.3864 30.9111 175.1327 62 I 4.6591 7.2589 116.9224 59.0318 41.4931 174.0524 63 Q 4.6884 8.8334 127.1956 53.8743 31.7692 174.5625 64 W 4.8216 9.1862 125.0816 56.5910 29.4349 176.6844 65 S 4.7391 8.8270 118.8560 59.7475 64.2061 173.8387 66 N 4.6407 7.9797 115.5569 52.9248 42.1602 173.3317 67 Q 5.1306 8.9596 124.9467 54.4490 31.4271 174.2689 68 I 4.0941 8.7745 128.8650 60.7162 38.4466 175.6994 69 S 4.7687 8.7407 123.2244 57.6205 61.3211 173.4133 70 E 4.1909 9.0591 128.1396 59.0602 30.0872 176.8443 71 S 4.3954 7.7383 111.9463 57.6498 66.1701 174.9717 *73 V 4.1617 7.7797 121.6489 62.6757 32.6649 173.8307 74 V 4.7827 8.3901 127.0533 61.0899 33.8539 174.2761 75 E 4.4491 9.0358 126.7434 54.5040 32.7096 174.7508 76 V 4.2869 8.1177 124.8378 61.6423 32.7076 175.3126 77 F 5.0269 8.9129 129.0298 56.7076 40.8105 175.1424 78 E 4.1381 9.2410 120.8642 60.6122 29.6726 177.9478 79 T 4.7074 8.0456 112.5777 63.5482 70.0684 173.6834 80 T 5.8599 7.8976 110.8830 60.3064 72.9295 172.4794 81 A 5.3708 9.4500 123.1092 50.2356 23.1213 174.6999 82 L 5.2233 9.3050 123.2838 53.3294 45.0056 175.2009 83 V 4.9057 8.9334 126.3545 61.2291 34.1177 174.0076 84 Q 5.2471 9.0812 127.1356 54.2342 31.1946 174.7417 85 E 4.9286 9.1941 123.2826 54.8270 34.1169 173.6684 86 I 4.9731 8.6492 126.6681 59.9833 39.1933 175.0290 87 V 5.0337 8.7958 120.6039 59.4667 35.3004 174.5968 88 E 4.9770 9.1835 125.2995 54.8135 31.6400 174.2618 89 D 5.7276 9.4037 128.3909 53.7800 43.2430 175.5537 90 H 5.1576 9.7180 120.2728 54.1480 31.7621 172.6090 91 F 5.2873 8.0738 117.0945 55.6880 41.2603 173.9007 92 S 5.1083 9.1760 116.3262 57.9018 65.0436 173.5291 93 Y 4.7590 8.3966 125.0785 56.8699 40.5486 174.2524 94 G 3.7494 9.0022 119.0807 47.3599 0.0000 174.1293 95 R 4.2191 8.4170 117.1573 55.9706 28.7918 179.7979 96 S 4.5092 7.4930 115.5583 59.1306 64.1826 172.1645 *98 Y 4.4885 8.1347 119.6665 58.9399 39.3549 174.4450 99 I 4.8489 7.9784 122.1324 59.7615 41.0163 175.1701 100 G 3.9440 8.4619 109.6288 45.4192 0.0000 172.3762 101 R 5.2061 8.0081 122.5084 54.4981 33.2649 175.1452 102 F 5.3228 9.0156 119.5766 56.1057 44.2630 173.3715 103 R 5.0800 9.1654 123.1043 55.2179 31.4036 175.2756 104 S 5.3831 9.5029 121.5154 56.4158 66.6586 173.3132 105 V 5.0805 8.3771 120.3994 60.2906 34.5504 174.6286 106 S 5.3838 9.2387 118.0688 56.8736 67.8633 172.5069 107 L 5.4406 8.8884 123.3259 53.6905 45.1438 174.8166 108 Y 5.4406 9.3138 123.1264 56.5858 41.5682 173.9974 109 H 5.6847 9.8085 122.3389 54.4234 32.7267 172.3541 110 W 4.7736 9.3616 135.0000 55.8744 30.8332 175.2081 111 A 4.2817 7.8666 129.7341 51.2939 21.8029 175.1127 112 N 3.7606 9.0961 115.5974 54.5032 36.1524 174.5153 113 E 2.7386 7.6093 111.2894 56.5505 27.4119 174.6086 114 G 4.0861 6.5546 104.1320 44.5421 0.0000 172.3752 115 W 5.7750 8.9075 120.3720 55.2049 31.3078 175.8994 116 K 5.1472 9.4303 121.2401 54.3859 36.5670 175.2640 117 W 4.7191 9.4853 133.8312 57.9555 31.3546 175.5681 118 H 4.9212 9.5083 126.6061 56.4719 32.1006 173.6123 119 F 4.8126 7.8460 118.3568 56.7645 43.2758 172.6677 120 H 5.1171 6.9836 122.9488 54.6660 33.8433 171.7766 121 Q 4.4847 8.3539 124.5425 54.4464 32.6347 173.0882 122 L 5.0795 8.5101 125.7795 53.3152 44.6249 175.5603 123 T 4.8824 8.8422 119.3190 60.9682 71.6124 171.8650 124 P 4.8214 0.0000 0.0000 62.9608 31.9966 175.8243 125 L 4.8917 8.2192 122.8830 52.5095 44.8455 176.4120 126 D 4.4472 8.6023 120.7743 53.4744 41.4287 175.0544 127 P 4.3538 0.0000 0.0000 62.7977 31.9340 176.5643 128 S 4.2808 8.4286 114.4133 59.0503 62.7615 174.3486 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 0 G 8.35 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 E 7.85 4.10 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 2.41 2.29 0.00 3 P 0.00 4.11 0.00 2.03 2.00 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 4 S 8.62 4.13 0.00 3.79 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.73 4.06 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 6 K 7.88 3.50 0.00 1.23 1.58 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.61 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.16 0.24 7.81 7 H 8.17 4.21 0.00 3.22 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.13 4.01 0.00 1.89 1.74 0.93 0.83 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 9 Q 8.40 4.16 0.00 2.58 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.68 0.00 10 L 7.83 3.43 0.00 0.83 1.43 -0.48 0.02 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 11 Q 7.74 3.85 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 12 T 8.00 3.80 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 1.24 0.00 0.00 13 L 7.87 3.90 0.00 1.86 1.66 1.18 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.71 3.74 0.00 1.67 1.48 0.64 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.82 4.04 0.00 3.92 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 16 E 8.17 3.45 0.00 1.78 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 2.17 2.28 0.00 17 R 8.01 3.79 0.00 1.69 1.70 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.45 0.00 18 H 7.38 3.82 0.00 3.16 3.33 0.00 6.03 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 19 A 7.50 4.09 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 20 Y 7.71 4.52 0.00 3.08 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 21 L 7.71 4.04 0.00 1.60 1.33 0.58 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *23 E 8.22 4.26 0.00 2.11 2.18 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 2.23 2.36 0.00 24 G 7.62 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 0.00 0.00 0.00 25 N 8.20 4.56 0.00 2.72 2.68 0.00 0.00 6.97 8.32 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 26 R 8.43 3.96 0.00 1.77 1.91 0.00 3.27 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 27 E 8.27 4.05 0.00 1.93 1.94 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 2.31 1.88 0.00 28 A 7.66 3.79 0.04 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 0.00 0.00 *30 H 8.30 4.64 0.00 3.36 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 7.67 4.12 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.79 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 32 L 7.71 4.39 0.00 1.93 1.94 1.10 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.62 4.65 0.00 1.43 1.10 0.53 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 34 S 9.31 4.63 0.00 4.08 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 0.00 35 S 8.92 4.30 0.00 4.05 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 0.00 36 D 7.96 4.93 0.00 2.78 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 37 F 7.83 4.49 0.00 3.07 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 38 S 7.81 4.53 0.00 3.82 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 39 F 8.57 4.32 0.00 2.29 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 40 I 7.89 5.04 1.62 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.40 0.89 0.00 0.00 41 D 9.22 5.08 0.00 3.15 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.55 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 0.00 0.00 0.00 43 Q 8.44 4.29 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.92 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 44 G 8.57 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 0.00 0.00 0.00 45 R 8.34 4.06 0.00 1.93 2.21 0.00 2.98 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.34 0.00 46 Q 8.47 5.07 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.49 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 47 F 9.78 5.10 0.00 3.11 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 48 D 8.68 4.95 0.00 2.98 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 49 A 8.68 4.08 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 50 E 8.24 3.94 0.00 2.05 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 2.46 2.37 0.00 51 T 8.66 4.18 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 1.38 0.00 0.00 52 Y 8.50 4.00 0.00 3.10 3.34 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 53 L 8.09 3.68 0.00 1.86 1.64 0.74 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.89 4.29 0.00 2.78 2.59 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 55 H 7.74 4.49 0.00 2.94 2.95 0.00 5.81 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 7.69 4.53 0.00 2.04 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 57 V 7.63 4.44 1.94 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 0.75 0.00 0.00 0.67 0.00 0.00 58 D 7.61 4.53 0.00 2.65 2.50 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 59 P 0.00 5.13 0.00 2.08 2.10 0.00 3.75 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.19 0.00 60 D 8.32 4.56 0.00 2.74 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.16 4.13 0.00 1.79 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 62 I 7.26 4.66 1.61 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.23 0.93 0.00 0.00 63 Q 8.83 4.69 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 64 W 9.19 4.82 0.00 3.23 3.32 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 65 S 8.83 4.74 0.00 3.97 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 0.00 66 N 7.98 4.64 0.00 2.82 2.75 0.00 0.00 6.62 7.55 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 67 Q 8.96 5.13 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.66 0.00 68 I 8.77 4.09 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.42 0.96 0.00 0.00 69 S 8.74 4.77 0.00 3.93 3.80 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 70 E 9.06 4.19 0.00 2.04 2.02 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 2.38 2.31 0.00 71 S 7.74 4.40 0.00 3.85 3.67 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 0.00 0.00 0.00 0.00 *73 V 7.78 4.16 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 0.93 0.00 0.00 0.93 0.00 0.00 74 V 8.39 4.78 1.98 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 0.69 0.00 0.00 0.82 0.00 0.00 75 E 9.04 4.45 0.00 1.80 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 2.12 2.19 0.00 76 V 8.12 4.29 1.86 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 0.81 0.00 0.00 0.61 0.00 0.00 77 F 8.91 5.03 0.00 3.24 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 78 E 9.24 4.14 0.00 2.06 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 0.00 2.41 2.34 0.00 79 T 8.05 4.71 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 1.39 0.00 0.00 80 T 7.90 5.86 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 1.36 0.00 0.00 81 A 9.45 5.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 9.30 5.22 0.00 1.99 1.79 1.06 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.93 4.91 2.33 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 0.94 0.00 0.00 0.92 0.00 0.00 84 Q 9.08 5.25 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.39 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 85 E 9.19 4.93 0.00 2.04 1.78 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 2.25 2.47 0.00 86 I 8.65 4.97 1.91 0.00 0.00 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 1.28 0.62 1.03 0.00 0.00 87 V 8.80 5.03 2.31 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 0.80 0.00 0.00 1.23 0.00 0.00 88 E 9.18 4.98 0.00 2.08 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 2.17 2.24 0.00 89 D 9.40 5.73 0.00 3.02 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 90 H 9.72 5.16 0.00 3.14 3.24 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.07 5.29 0.00 2.61 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 0.00 0.00 0.00 0.00 92 S 9.18 5.11 0.00 3.97 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 93 Y 8.40 4.76 0.00 3.19 2.91 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 94 G 9.00 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 95 R 8.42 4.22 0.00 2.04 2.02 0.00 3.26 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.20 0.00 96 S 7.49 4.51 0.00 3.86 3.38 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 *98 Y 8.13 4.49 0.00 2.36 2.59 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 99 I 7.98 4.85 1.77 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 1.16 0.52 0.69 0.00 0.00 100 G 8.46 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 0.00 101 R 8.01 5.21 0.00 1.61 1.75 0.00 3.25 0.00 0.00 3.45 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 102 F 9.02 5.32 0.00 3.00 2.89 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 0.00 103 R 9.17 5.08 0.00 1.98 1.87 0.00 3.31 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 104 S 9.50 5.38 0.00 3.66 3.96 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 0.00 105 V 8.38 5.08 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 0.87 0.00 0.00 1.06 0.00 0.00 106 S 9.24 5.38 0.00 3.86 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 0.00 107 L 8.89 5.44 0.00 1.86 1.63 1.04 0.82 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 0.00 108 Y 9.31 5.44 0.00 2.84 3.18 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 0.00 109 H 9.81 5.68 0.00 3.34 3.35 0.00 5.76 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 W 9.36 4.77 0.00 1.78 2.51 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 0.00 0.00 0.00 0.00 111 A 7.87 4.28 0.98 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 0.00 112 N 9.10 3.76 0.00 2.66 2.73 0.00 0.00 7.00 7.66 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 0.00 113 E 7.61 2.74 0.00 1.85 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 1.98 2.11 0.00 114 G 6.55 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 0.00 0.00 0.00 0.00 115 W 8.91 5.77 0.00 3.34 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 0.00 116 K 9.43 5.15 0.00 1.89 2.00 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.49 7.81 117 W 9.49 4.72 0.00 3.54 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 0.00 118 H 9.51 4.92 0.00 3.48 3.57 0.00 5.83 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 F 7.85 4.81 0.00 3.00 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 0.00 120 H 6.98 5.12 0.00 3.07 2.23 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 8.35 4.48 0.00 1.90 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.55 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 122 L 8.51 5.08 0.00 1.38 1.28 -0.03 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.84 4.88 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 1.27 0.00 0.00 124 P 0.00 4.82 0.00 1.99 2.04 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.41 0.00 125 L 8.22 4.89 0.00 1.41 1.51 0.95 1.34 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 0.00 126 D 8.60 4.45 0.00 2.64 2.58 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 0.00 0.00 0.00 0.00 127 P 0.00 4.35 0.00 2.14 2.00 0.00 3.73 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 1.96 1.95 0.00 128 S 8.43 4.28 0.00 3.88 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 * Residues marked with a * may have inaccurate shift predictions.