NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3569 8.1744 112.9183 61.1938 70.8827 173.5277 4 R 4.7838 7.9245 118.8783 54.6078 29.5746 171.8351 5 S 5.5483 10.2119 118.9398 56.0492 67.6122 174.2726 6 A 5.1753 8.8714 121.2599 50.8449 22.9856 175.3878 7 R 4.8999 8.8964 117.9943 54.2925 34.7170 174.7159 8 V 4.8747 8.3028 120.9215 61.1856 34.9546 174.0975 9 I 5.0373 8.7109 127.7315 59.6150 40.7594 174.2418 10 I 4.6846 8.8953 128.4121 59.6684 39.1980 174.8502 11 A 4.8525 9.0336 131.0960 51.1498 20.0142 176.1382 12 S 4.2452 8.9555 116.3688 57.8100 65.7715 175.7620 13 T 3.9963 8.8337 129.6423 66.7115 68.0084 177.3409 14 R 4.0190 7.9956 120.7571 61.7507 29.4796 180.1529 15 A 4.3618 8.2036 120.9299 54.6214 18.1972 179.4070 16 S 4.3814 8.3964 112.1569 60.0584 62.8317 175.3762 17 S 4.3866 7.3109 115.4696 58.0181 63.5169 173.0912 *22 D 4.2630 8.2830 121.9256 55.8001 41.3152 175.5840 23 R 4.4801 8.3185 124.0505 57.3436 31.1976 174.6528 24 C 4.3514 8.2590 114.2631 62.8852 27.9111 175.9955 25 G 3.7241 8.5454 107.5311 47.6843 0.0000 174.0352 26 P 4.3047 0.0000 0.0000 64.8060 31.3087 178.8429 27 I 3.7427 7.3007 118.7653 64.5434 37.0219 178.5283 28 I 3.7670 7.8557 120.5231 64.6341 36.8664 178.6242 29 T 3.9108 8.2929 116.9923 66.6204 68.3070 176.2294 30 E 3.9582 8.4187 121.2157 59.0807 29.6033 178.6953 31 W 4.3821 8.2533 129.7425 59.9189 30.7483 177.9505 32 L 4.0975 8.5641 118.9116 57.6876 41.1100 179.1940 33 A 3.9908 8.2376 120.7013 55.5132 17.9377 179.4382 34 Q 3.9131 8.5180 116.6097 59.2478 28.6178 178.7733 35 Q 4.1910 7.7824 115.8916 55.6943 28.9242 176.7998 36 G 3.7903 7.8894 108.6503 45.0947 0.0000 173.5298 37 F 4.8751 8.3542 118.5989 56.4931 40.4459 175.4587 38 S 4.8556 8.7821 117.8281 57.6097 64.6719 173.3140 39 S 5.3634 8.7965 116.2443 56.4447 66.4662 172.5438 40 A 4.7036 8.4644 124.6868 50.5432 21.3299 177.3980 41 Q 4.0695 8.4913 117.5183 54.4451 28.6123 172.8720 42 P 4.5833 0.0000 0.0000 62.4619 32.0117 175.7079 43 E 4.2919 8.9234 123.7004 55.7291 30.7355 175.5772 44 V 4.6400 8.3694 125.4249 61.6048 32.6639 175.2295 45 V 4.6914 8.8245 120.5766 59.1627 36.1365 175.1613 46 A 4.4936 8.5112 123.7179 51.6455 19.1293 177.3230 47 D 4.3138 8.3314 120.0097 54.9461 41.7264 177.5516 48 G 4.1798 8.9903 106.7811 45.0173 0.0000 176.3594 49 S 4.1284 8.9567 118.0101 61.3226 62.4760 174.3920 50 P 4.2792 0.0000 0.0000 65.0698 30.9357 178.8855 51 V 3.6266 7.8964 117.6722 65.8948 31.4694 177.9572 52 G 3.8532 8.1844 106.3540 47.1579 0.0000 174.8661 53 E 3.8973 8.3361 121.5775 58.8598 29.7134 178.6242 54 A 4.2253 8.0419 122.1843 54.5560 18.3303 179.6020 55 L 3.9132 8.1677 117.5686 58.0263 41.7207 179.8821 56 R 3.9684 8.2426 120.4485 59.8327 30.1157 179.8680 57 K 3.9566 8.4625 123.5342 59.8012 31.9949 180.8146 58 A 4.2008 8.0621 122.3133 55.0119 18.3223 179.8246 59 I 3.5967 8.0927 118.7274 64.6775 36.9732 178.4190 60 D 4.4567 8.1130 118.3543 56.8811 40.6996 178.0060 61 D 4.4275 7.7431 118.1779 54.7112 41.1106 175.3332 62 D 4.3836 7.9784 117.6972 55.3898 39.6719 173.9374 63 V 4.5465 6.7890 107.5926 59.3029 33.5811 176.3924 64 D 4.7934 8.5994 120.8038 56.8717 42.2087 177.2506 65 V 4.9695 8.0271 116.6749 60.0758 35.3016 174.3349 66 I 4.9747 8.9663 124.7143 59.5048 40.0909 174.2761 67 L 5.1021 8.7513 127.3222 53.1276 44.0861 175.7570 68 T 5.0938 8.5668 114.2213 60.0993 71.5509 173.4316 69 S 5.0630 8.3945 116.9973 56.7544 65.8417 174.3377 70 G 3.9204 8.2733 111.5800 47.9447 0.0000 172.7904 71 G 4.0015 8.9691 105.5364 46.8913 0.0000 174.9799 72 T 4.5298 7.8421 108.0039 60.8808 70.3778 174.7538 73 G 3.9607 7.8207 114.4396 45.7696 0.0000 174.3636 74 I 4.2794 8.2231 118.3000 60.4223 38.2551 175.6770 75 A 4.2733 8.0883 124.9451 51.2080 18.9963 177.1949 76 P 4.1883 0.0000 0.0000 66.1293 31.0097 177.4656 77 T 4.3414 7.7099 105.5357 61.3918 69.0508 175.3497 78 D 4.6945 8.1734 125.1627 53.6320 39.1336 176.3051 79 S 5.1681 7.9135 113.3384 56.9626 64.4341 176.7131 80 T 3.8556 7.9808 119.8636 67.0273 68.1459 174.5156 81 P 4.5241 0.0000 0.0000 65.5850 31.2474 178.4593 82 D 4.4319 8.0161 117.4196 57.4571 40.4393 178.6694 83 Q 4.0250 8.3695 118.8072 59.0579 28.6584 178.9175 84 T 3.8651 7.9875 116.9820 66.5354 68.2405 176.7822 85 V 3.5589 8.2921 120.3533 66.1690 31.2849 177.8770 86 A 4.1696 7.7524 118.4255 54.0944 18.2647 178.2324 87 V 4.1828 7.4818 108.5128 61.2452 33.2781 176.5372 88 V 4.1064 7.0130 111.7669 60.2202 32.6560 176.0583 89 D 4.5320 8.8834 123.1090 57.2857 41.0905 176.1887 90 Y 4.7767 6.9064 114.4602 56.3548 40.3811 172.8166 91 L 5.2242 8.4830 119.7007 53.2746 44.4820 177.0824 92 I 4.6049 8.2872 121.6320 58.1880 37.5429 174.6117 93 P 4.3844 0.0000 0.0000 65.4625 31.4199 178.8340 94 G 3.5842 8.0606 105.2759 47.3834 0.0000 175.3781 95 L 3.9622 7.7748 122.4058 57.8551 42.1626 178.7700 96 A 3.9618 7.9363 120.3401 55.1286 18.2884 179.0760 97 E 3.8528 8.4326 117.6493 59.2464 29.7219 178.7018 98 A 3.9724 8.1946 121.0103 55.3061 18.1941 179.5746 99 I 3.5751 7.6181 116.8920 64.6086 37.5192 178.3293 100 R 4.1283 8.1088 121.1889 60.2763 29.9920 180.0784 101 R 4.0782 8.2873 120.1537 60.9376 29.1382 180.5609 102 S 4.5413 8.0000 112.1397 61.0464 63.1066 175.7747 103 G 4.0791 7.9900 109.4392 43.1495 0.0000 172.8379 104 L 4.9871 7.0959 120.9050 52.2682 43.8901 174.8634 105 P 4.5280 0.0000 0.0000 64.0008 32.0013 178.0052 106 K 4.1038 8.0065 120.8705 56.8047 31.9619 182.2466 107 V 4.3469 7.9212 119.2335 59.3947 31.4135 173.4853 108 P 4.2539 0.0000 0.0000 65.4442 31.3079 177.2731 109 T 4.1310 7.8098 106.2313 63.2065 68.5621 176.0369 110 S 4.0780 8.3777 119.5582 62.0600 62.6317 176.5913 111 V 3.7897 7.4426 113.2867 63.3286 31.3534 177.6442 112 L 4.2616 7.8426 117.9133 54.8467 41.9858 177.0582 113 S 4.2827 7.3943 114.4638 58.5914 62.6266 173.8143 114 R 4.4172 9.1145 126.2728 55.7349 30.3048 176.7742 115 G 3.8708 7.5259 105.8890 47.1270 0.0000 173.5652 116 V 4.7255 9.2557 116.0959 59.4507 35.8737 174.2283 117 C 5.2933 8.2430 118.3109 58.5399 32.0772 173.8088 118 G 4.2898 8.7109 108.3546 45.8474 0.0000 171.5221 119 V 4.7393 8.0937 118.9498 60.7438 34.7468 174.8629 120 A 4.6703 8.8210 131.0283 50.7686 21.0378 178.3647 121 G 3.8677 9.6209 118.2108 48.6584 0.0000 174.1150 122 Q 4.6439 9.2377 116.8883 54.5453 28.9284 175.9330 123 T 4.8398 7.8737 116.1000 62.5424 71.6657 172.9772 124 L 4.7345 8.7693 128.9149 54.1915 43.9269 175.1556 125 I 4.9824 9.0929 126.8861 59.4569 40.5708 174.5796 126 V 4.5397 8.6398 126.4779 61.0556 34.4103 173.9050 127 N 5.4521 8.7711 126.1730 52.1006 39.0514 174.9957 128 L 4.6379 8.8080 124.2893 52.2236 44.6470 174.4366 129 P 4.3000 0.0000 0.0000 62.7572 32.1398 176.5634 130 G 3.9927 8.5347 107.9769 45.8633 0.0000 174.1540 131 S 4.8212 7.4830 114.9016 55.5338 66.7616 172.9510 132 P 4.2963 0.0000 0.0000 65.8860 31.0435 179.2081 133 G 3.7115 8.1107 104.0431 47.8398 0.0000 175.8767 134 G 3.5454 7.8557 108.5123 47.2440 0.0000 176.0939 135 V 3.4793 7.9091 120.6280 65.9143 31.5820 178.4066 136 R 3.8212 8.0173 117.7943 59.1956 29.6912 178.7296 137 D 4.4239 8.3418 119.0056 57.4161 40.8782 179.2168 138 G 3.4875 8.2036 106.2889 47.7316 0.0000 175.7590 139 L 3.4393 8.0059 121.8590 57.1176 41.1937 179.7947 140 G 3.6779 7.8043 105.0549 47.7028 0.0000 175.6435 141 V 3.7665 7.4922 120.5006 65.9144 31.6395 178.1426 142 L 4.0500 7.9512 118.4432 57.6575 41.1470 179.0966 143 A 4.4978 8.4068 120.4744 55.5732 18.4285 179.5303 144 G 3.8332 7.9590 101.0852 46.6151 0.0000 174.7381 145 V 4.5178 7.5258 111.0712 60.2946 34.6340 177.3348 146 L 4.0543 8.8210 122.2047 58.2822 41.8586 178.6331 147 D 4.4205 8.2171 118.1948 57.8880 40.7953 178.3607 148 H 4.1194 8.3662 115.9076 58.7341 28.6400 177.5461 149 A 4.0584 8.6237 122.9357 55.2830 18.2633 179.7588 150 L 4.0106 8.3940 117.8456 57.8486 41.5923 179.3853 151 D 4.3454 8.2852 118.9816 57.4703 40.8268 178.6886 152 Q 3.9468 8.4583 120.3152 59.1340 28.8664 177.8013 153 L 4.0228 8.1049 120.3293 58.0066 42.1828 178.0248 154 A 4.4240 7.8063 117.6092 51.6430 19.0185 177.1437 155 G 3.5869 8.1749 107.7031 46.9040 0.0000 174.8755 156 K 4.2400 8.2154 126.5884 54.6361 32.2858 178.2078 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 3 T 8.17 4.36 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 4 R 7.92 4.78 0.00 1.77 1.62 0.00 2.78 0.00 0.00 3.11 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.17 0.00 5 S 10.21 5.55 0.00 3.93 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 6 A 8.87 5.18 1.13 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 7 R 8.90 4.90 0.00 1.70 1.77 0.00 3.23 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 8 V 8.30 4.87 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 1.00 0.00 0.00 0.93 0.00 0.00 9 I 8.71 5.04 1.85 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 1.21 0.56 0.89 0.00 0.00 10 I 8.90 4.68 1.86 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 1.15 1.24 0.94 0.00 0.00 11 A 9.03 4.85 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 12 S 8.96 4.25 0.00 3.84 3.68 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 0.00 0.00 0.00 13 T 8.83 4.00 4.23 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 1.21 0.00 0.00 14 R 8.00 4.02 0.00 1.91 1.86 0.00 3.27 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.28 0.00 15 A 8.20 4.36 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.40 4.38 0.00 4.06 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 0.00 17 S 7.31 4.39 0.00 4.03 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 *22 D 8.28 4.26 0.00 2.66 2.67 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 23 R 8.32 4.48 0.00 1.76 1.90 0.00 3.30 0.00 0.00 3.34 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 24 C 8.26 4.35 0.00 3.10 2.97 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 25 G 8.55 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 26 P 0.00 4.30 0.00 2.18 2.13 0.00 3.67 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 27 I 7.30 3.74 2.03 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 1.54 0.67 0.92 0.00 0.00 28 I 7.86 3.77 1.86 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 1.41 0.69 0.89 0.00 0.00 29 T 8.29 3.91 4.28 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 0.00 0.00 0.00 1.25 0.00 0.00 30 E 8.42 3.96 0.00 2.20 2.23 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 2.35 2.43 0.00 31 W 8.25 4.38 0.00 3.58 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 32 L 8.56 4.10 0.00 2.03 1.84 0.94 0.58 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 A 8.24 3.99 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 34 Q 8.52 3.91 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.64 0.00 35 Q 7.78 4.19 0.00 1.73 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.77 0.00 0.00 0.00 0.00 0.00 1.33 1.16 0.00 36 G 7.89 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 37 F 8.35 4.88 0.00 2.99 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 38 S 8.78 4.86 0.00 3.95 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 39 S 8.80 5.36 0.00 3.89 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 40 A 8.46 4.70 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 41 Q 8.49 4.07 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.83 0.00 0.00 0.00 0.00 0.00 2.28 1.96 0.00 42 P 0.00 4.58 0.00 1.92 2.02 0.00 3.64 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 2.04 2.14 0.00 43 E 8.92 4.29 0.00 1.93 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 2.30 2.25 0.00 44 V 8.37 4.64 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 45 V 8.82 4.69 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 0.68 0.00 0.00 0.98 0.00 0.00 46 A 8.51 4.49 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 47 D 8.33 4.31 0.00 2.58 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 48 G 8.99 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 0.00 0.00 0.00 49 S 8.96 4.13 0.00 3.87 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 50 P 0.00 4.28 0.00 2.39 2.09 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 51 V 7.90 3.63 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 1.08 0.00 0.00 0.95 0.00 0.00 52 G 8.18 3.85 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 0.00 53 E 8.34 3.90 0.00 2.09 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 0.00 2.30 2.37 0.00 54 A 8.04 4.23 1.42 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 0.00 0.00 0.00 55 L 8.17 3.91 0.00 1.86 1.71 0.93 1.20 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 56 R 8.24 3.97 0.00 2.03 1.98 0.00 3.12 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 57 K 8.46 3.96 0.00 1.73 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.33 7.81 58 A 8.06 4.20 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 59 I 8.09 3.60 1.86 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 0.83 0.90 0.00 0.00 60 D 8.11 4.46 0.00 2.81 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 61 D 7.74 4.43 0.00 2.91 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 62 D 7.98 4.38 0.00 2.83 2.79 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 63 V 6.79 4.55 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 1.13 0.00 0.00 1.02 0.00 0.00 64 D 8.60 4.79 0.00 2.94 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 65 V 8.03 4.97 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 0.54 0.00 0.00 0.90 0.00 0.00 66 I 8.97 4.97 1.83 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 1.21 0.68 0.88 0.00 0.00 67 L 8.75 5.10 0.00 1.49 1.43 0.75 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.57 5.09 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 1.17 0.00 0.00 69 S 8.39 5.06 0.00 3.81 3.64 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 70 G 8.27 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 71 G 8.97 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 72 T 7.84 4.53 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 73 G 7.82 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 0.00 0.00 0.00 74 I 8.22 4.28 1.86 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 1.34 0.74 0.90 0.00 0.00 75 A 8.09 4.27 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 P 0.00 4.19 0.00 2.18 2.21 0.00 3.75 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 1.99 1.97 0.00 77 T 7.71 4.34 4.23 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 1.20 0.00 0.00 78 D 8.17 4.69 0.00 2.86 2.81 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 0.00 0.00 0.00 79 S 7.91 5.17 0.00 3.94 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 80 T 7.98 3.86 4.34 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 1.18 0.00 0.00 81 P 0.00 4.52 0.00 2.14 2.22 0.00 3.58 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 82 D 8.02 4.43 0.00 2.77 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 83 Q 8.37 4.03 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.51 2.66 0.00 84 T 7.99 3.87 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 1.17 0.00 0.00 85 V 8.29 3.56 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 1.01 0.00 0.00 0.94 0.00 0.00 86 A 7.75 4.17 1.37 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 0.00 0.00 87 V 7.48 4.18 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 0.72 0.00 0.00 0.96 0.00 0.00 88 V 7.01 4.11 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 0.66 0.00 0.00 0.98 0.00 0.00 89 D 8.88 4.53 0.00 2.63 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 90 Y 6.91 4.78 0.00 3.15 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 91 L 8.48 5.22 0.00 1.68 1.62 0.94 0.79 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 92 I 8.29 4.60 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.93 0.96 0.00 0.00 93 P 0.00 4.38 0.00 2.27 2.32 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 94 G 8.06 3.58 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 0.00 0.00 0.00 95 L 7.77 3.96 0.00 1.77 1.81 0.93 0.88 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 96 A 7.94 3.96 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 97 E 8.43 3.85 0.00 2.19 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 2.30 2.37 0.00 98 A 8.19 3.97 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 99 I 7.62 3.58 1.98 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 1.46 0.64 0.86 0.00 0.00 100 R 8.11 4.13 0.00 2.03 1.98 0.00 3.11 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 101 R 8.29 4.08 0.00 1.81 1.94 0.00 3.27 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 102 S 8.00 4.54 0.00 4.02 4.12 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 0.00 0.00 0.00 103 G 7.99 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 0.00 0.00 0.00 0.00 104 L 7.10 4.99 0.00 1.76 1.57 0.91 1.08 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 0.00 105 P 0.00 4.53 0.00 2.17 2.15 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 106 K 8.01 4.10 0.00 1.80 1.77 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.00 7.81 107 V 7.92 4.35 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 1.02 0.00 0.00 0.92 0.00 0.00 108 P 0.00 4.25 0.00 2.19 2.10 0.00 3.64 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 2.11 2.16 0.00 109 T 7.81 4.13 4.23 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 1.20 0.00 0.00 110 S 8.38 4.08 0.00 3.86 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 0.00 111 V 7.44 3.79 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 0.77 0.00 0.00 0.96 0.00 0.00 112 L 7.84 4.26 0.00 1.69 1.71 0.91 1.13 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 0.00 113 S 7.39 4.28 0.00 3.85 3.85 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 0.00 114 R 9.11 4.42 0.00 1.92 1.92 0.00 3.23 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 115 G 7.53 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 0.00 116 V 9.26 4.73 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 0.78 0.00 0.00 0.97 0.00 0.00 117 C 8.24 5.29 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 0.00 118 G 8.71 4.29 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 0.00 119 V 8.09 4.74 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 0.00 0.00 0.84 0.00 0.00 0.81 0.00 0.00 120 A 8.82 4.67 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 0.00 121 G 9.62 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 0.00 122 Q 9.24 4.64 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.62 0.00 0.00 0.00 0.00 0.00 2.19 1.92 0.00 123 T 7.87 4.84 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 1.21 0.00 0.00 124 L 8.77 4.73 0.00 1.78 1.54 0.96 0.74 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 0.00 125 I 9.09 4.98 1.81 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 1.07 0.63 0.87 0.00 0.00 126 V 8.64 4.54 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 0.90 0.00 0.00 0.89 0.00 0.00 127 N 8.77 5.45 0.00 2.73 2.71 0.00 0.00 6.88 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 0.00 128 L 8.81 4.64 0.00 1.56 1.46 0.72 0.70 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 0.00 129 P 0.00 4.30 0.00 1.89 1.97 0.00 3.59 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 130 G 8.53 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 0.00 131 S 7.48 4.82 0.00 4.01 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 0.00 132 P 0.00 4.30 0.00 2.16 2.14 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 133 G 8.11 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 0.00 134 G 7.86 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.91 3.48 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 0.96 0.00 0.00 136 R 8.02 3.82 0.00 2.02 1.95 0.00 3.19 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 137 D 8.34 4.42 0.00 2.81 2.68 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 0.00 0.00 0.00 138 G 8.20 3.49 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 0.00 139 L 8.01 3.44 0.00 1.44 0.52 0.57 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.80 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 141 V 7.49 3.77 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 1.02 0.00 0.00 0.92 0.00 0.00 142 L 7.95 4.05 0.00 1.74 1.78 0.63 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.41 4.50 1.65 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 0.00 0.00 144 G 7.96 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 0.00 0.00 0.00 145 V 7.53 4.52 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 0.75 0.00 0.00 1.05 0.00 0.00 146 L 8.82 4.05 0.00 2.07 1.93 1.01 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.22 4.42 0.00 2.78 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 0.00 148 H 8.37 4.12 0.00 3.40 3.40 0.00 5.82 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 0.00 149 A 8.62 4.06 1.42 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 0.00 0.00 0.00 150 L 8.39 4.01 0.00 1.76 1.80 1.21 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 151 D 8.29 4.35 0.00 2.86 2.72 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 0.00 152 Q 8.46 3.95 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 153 L 8.10 4.02 0.00 1.97 1.87 1.02 1.28 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 0.00 154 A 7.81 4.42 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 0.00 155 G 8.17 3.59 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 0.00 0.00 0.00 156 K 8.22 4.24 0.00 1.96 1.72 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.27 1.24 7.81 * Residues marked with a * may have inaccurate shift predictions.