NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 3.9674 8.3149 119.9174 56.3236 33.9008 173.9643 3 L 4.3513 7.7474 118.2696 53.4635 42.0695 175.0097 4 Y 4.2963 9.6547 121.7039 57.4807 38.9153 177.3435 5 T 3.3570 7.9255 116.8151 65.1508 68.1528 172.0735 *23 D 4.4311 7.5798 118.9555 53.7762 43.3839 175.9037 24 S 4.2003 8.3471 117.3715 61.3074 63.2248 176.4511 25 L 3.9814 7.9107 122.2544 57.5114 41.2374 179.5714 26 R 3.9069 7.8617 117.6182 59.5250 30.3130 179.3911 27 V 3.6906 7.5168 111.4044 64.0973 31.4567 178.2865 28 E 4.0554 8.5531 119.8017 59.0221 29.4718 178.9666 29 S 4.1324 8.0035 115.2631 61.6942 62.9719 175.8993 30 Y 4.0938 8.3775 122.5664 60.6435 38.5082 178.3963 31 G 3.6467 8.3359 106.6037 48.2702 0.0000 175.8866 32 T 3.9773 8.0863 118.2884 66.2261 68.3540 177.1223 33 I 3.8123 7.8206 121.9785 64.1335 37.0758 177.9355 34 D 4.1499 7.8866 118.9712 57.2121 41.1648 177.8703 35 E 3.9982 8.2817 119.8253 59.3601 29.5606 178.4729 36 L 4.0695 8.4669 120.7360 58.2712 41.8943 178.4742 37 N 4.4374 8.4762 117.2555 56.8116 38.7531 177.0927 38 S 4.1086 8.2003 116.6659 61.5597 63.0218 176.5667 39 F 4.0263 8.3194 119.7059 59.9775 38.6614 177.8442 40 I 3.9879 7.7499 119.9275 63.8894 36.8039 178.5313 41 G 3.6068 7.9845 106.9218 47.7122 0.0000 175.6016 42 L 3.9216 7.7503 122.5791 57.7538 42.1010 178.9184 43 A 4.0407 7.9820 120.3914 54.5546 18.2455 179.5175 44 L 3.9128 8.0154 119.0779 58.3503 42.0428 178.9071 45 A 4.0105 8.0779 119.7979 55.1197 18.6563 178.9692 46 E 4.0235 8.2981 117.8121 59.4283 29.8233 179.0365 47 L 4.0075 8.0541 118.7676 57.4550 41.3433 179.6917 48 S 4.3470 8.1005 115.1536 61.3364 62.9062 176.2563 49 G 3.8945 7.5681 104.2678 44.8925 0.0000 173.0336 50 Q 4.7295 7.3716 120.0504 53.2070 31.4520 173.7810 51 P 4.5798 0.0000 0.0000 63.2735 32.3970 176.4280 52 G 3.7156 9.4117 108.1895 45.3267 0.0000 173.7002 53 F 5.0294 7.2590 117.3213 56.6793 40.4764 177.6308 54 E 4.0382 8.5138 121.6612 59.6974 29.4997 178.2734 55 D 4.4489 8.1536 118.3180 57.3577 40.9441 178.2045 56 L 4.4116 8.2946 120.5293 58.8429 42.0425 179.0970 57 T 3.8170 8.2975 109.1300 64.6183 68.5689 176.3819 58 A 4.0197 7.9864 123.3028 55.0358 18.5267 179.3542 59 E 4.0610 9.1496 117.8209 59.6412 29.6240 179.4916 60 L 4.1876 8.7757 119.5040 58.0301 41.6641 179.4463 61 L 4.0966 8.0636 120.0426 58.5330 41.9554 179.1862 62 T 3.9243 8.0146 115.8333 66.4090 68.2133 176.8476 63 I 3.9682 7.8097 123.2806 64.0482 37.1907 178.4166 64 Q 4.1684 8.2059 120.2373 58.7585 28.5076 178.7991 65 H 4.2108 8.2391 117.0563 58.8586 28.7962 177.6565 66 E 3.9172 8.3994 120.4369 59.4697 29.2829 179.5057 67 L 4.0421 8.8370 119.8718 57.6191 41.5131 179.2186 68 F 4.0896 8.3464 120.7743 61.4075 39.2675 177.0071 69 D 4.3835 8.2807 118.5595 57.4258 40.5943 178.3136 70 C 4.1265 8.1509 117.4851 62.7210 28.0399 176.3356 71 G 3.8274 8.1079 107.2249 47.8884 0.0000 175.7160 72 G 3.6705 7.7174 108.7827 47.6405 0.0000 175.3307 73 D 4.7273 8.3659 120.6346 57.0236 40.8542 178.5499 74 L 4.2746 8.0356 118.3513 56.2087 41.9317 176.5355 75 A 4.3809 8.3003 118.5129 51.6578 20.8852 177.6067 76 I 3.3133 7.4292 116.9450 63.4918 38.6001 176.2909 77 V 3.6646 8.2215 121.6287 64.1841 31.8588 176.1875 78 T 4.6989 8.1303 119.6948 61.1919 68.3563 173.2309 79 E 4.3899 7.7805 118.9586 54.4102 33.3764 175.9704 80 R 2.5100 8.4581 124.8132 58.7698 30.2345 178.4818 81 K 3.8140 7.7811 115.6773 58.8670 32.0554 177.0272 82 D 4.6530 7.7790 116.7499 53.9056 41.2822 176.2880 83 Y 4.6155 7.4679 118.8064 58.6033 38.2482 176.4981 84 K 4.2027 9.3713 125.2188 58.6479 32.7786 177.9062 85 L 3.9303 7.7955 119.7997 55.3655 42.0492 176.1841 86 T 4.7008 8.0401 114.7634 59.7280 71.6352 175.1620 87 E 4.0982 8.5616 121.3280 59.4256 29.3517 179.3936 88 E 4.0961 8.2112 118.3569 59.3684 29.6139 179.2734 89 S 4.2537 7.8425 114.4895 61.4963 62.8454 176.8758 90 V 3.7642 7.8076 120.6527 66.0989 31.2389 178.3162 91 S 4.3194 8.1104 114.5287 61.4448 62.7344 176.2062 92 F 4.0640 8.6763 123.7372 61.3266 39.1875 177.0351 93 L 3.7478 7.8937 118.2171 57.9156 41.3384 179.4395 94 E 3.9467 8.1121 118.3311 59.7321 29.3687 179.3992 95 T 3.8465 8.0509 113.1969 64.8682 67.2412 176.7306 96 R 3.4428 7.6539 120.2952 58.8144 29.9730 178.6292 97 I 3.9196 7.7148 119.6622 64.8881 37.1170 178.1351 98 D 4.3310 7.9021 118.6984 57.1860 40.5693 178.8720 99 A 3.8974 7.9393 121.2814 55.5345 18.3722 179.4394 100 Y 4.3934 8.6061 116.0976 61.3415 37.5980 178.9711 101 T 3.9084 8.0636 116.2219 66.5073 68.6779 176.2303 102 A 4.1477 8.0496 121.7882 55.5564 18.4484 178.7440 103 E 3.8998 8.3248 116.6426 58.1336 30.0737 176.8028 104 A 4.0895 7.7648 123.3810 51.5276 19.2729 175.6607 105 P 4.4223 0.0000 0.0000 62.1631 32.1103 176.3874 106 E 3.9680 8.7165 120.4853 56.7567 29.8548 176.3053 107 L 4.5984 8.4440 123.9735 54.1442 41.9617 176.2521 108 K 4.4827 8.6141 121.0115 56.1310 32.9235 175.3395 109 K 4.4989 7.4551 116.9425 54.8510 36.3845 175.5345 110 F 4.8995 8.2932 118.5360 57.5676 40.3062 174.9913 111 I 5.0687 8.6844 122.5379 60.0201 39.1219 174.9081 112 L 4.8679 8.4343 124.8479 52.0291 44.3405 174.8286 113 P 3.8107 0.0000 0.0000 62.9588 31.7874 176.7146 114 G 3.9270 8.9466 112.1079 45.8688 0.0000 170.2620 115 G 4.0919 8.1291 107.5009 44.1448 0.0000 176.9794 116 S 4.3251 10.6291 121.7346 57.3052 64.7853 174.4630 117 K 3.7820 8.5766 123.7129 60.2718 31.8493 178.6781 118 C 4.0299 8.0042 115.9063 62.7933 28.0231 175.8861 119 A 3.9010 7.8477 122.0266 55.0298 17.7689 179.9395 120 S 4.0802 8.1576 113.8749 61.8545 62.9730 176.9101 121 L 4.0054 7.9767 121.5905 57.7879 41.2959 179.6324 122 L 3.8686 7.7962 118.9507 57.7762 41.4169 179.1943 123 H 4.2964 8.1154 116.5017 58.6352 28.5582 177.7769 124 I 3.5640 7.9420 121.6316 64.3748 36.9551 178.3825 125 A 3.7123 7.7183 121.4356 54.5950 17.9694 179.7397 126 R 4.0627 7.6578 117.8442 59.9799 30.2460 178.9385 127 T 3.9420 8.1154 109.8005 64.8313 68.7514 176.6747 128 I 3.7030 7.9251 122.6278 63.9709 36.9224 178.5959 129 T 3.9538 7.9458 117.0555 66.7762 68.3448 176.9672 130 R 3.9023 8.0878 119.9462 59.0285 29.9662 179.2330 131 R 3.8082 8.0892 118.5129 59.3460 30.1392 178.2899 132 A 3.9962 8.3262 121.0286 55.2816 18.2443 179.2302 133 E 3.9090 8.5574 118.0452 59.3639 29.7426 179.2868 134 R 3.8879 7.9259 118.2060 59.4064 30.2826 179.2855 135 R 3.9666 8.1478 117.8646 59.2009 29.7811 179.3343 136 V 3.6632 7.6928 117.4662 65.7740 31.5841 177.9897 137 V 3.6966 7.9505 117.4938 65.7886 31.4282 177.5906 138 A 4.2006 7.8359 120.2945 54.5429 18.1509 179.3493 139 L 4.4401 7.6162 117.3915 55.6704 42.0316 178.8452 *141 K 4.2787 8.0882 118.6259 55.3940 33.9059 176.9336 142 S 4.5476 7.3675 110.9814 58.4468 63.8167 173.2502 143 E 4.6982 7.4437 116.8811 55.5659 32.1965 174.8685 144 E 4.2321 8.6595 119.6667 56.0747 30.1437 176.3084 145 I 4.6641 7.8301 115.0243 58.8139 41.0715 175.6841 146 H 4.3198 8.1651 119.2965 54.4379 28.3559 174.5766 147 E 4.0488 8.5833 126.2057 59.3793 29.1675 179.3547 148 T 3.7899 7.5365 116.4197 66.3415 68.3994 176.0970 149 V 3.5076 7.8228 120.6483 66.0112 31.4041 177.6243 150 L 3.9426 7.8737 119.1607 58.5539 41.9272 179.1087 151 R 3.9157 7.8666 117.2742 59.1512 29.3921 178.4998 152 Y 3.9901 8.4164 119.8946 60.8091 38.7340 178.1850 153 L 4.0277 8.4288 120.2953 57.6527 41.4419 179.0205 154 N 4.3017 8.1647 116.4968 56.8759 39.2087 176.9113 155 R 4.0549 8.1096 119.4763 58.8117 30.1185 178.5298 156 L 3.6536 7.9044 120.9605 58.0471 41.9546 179.2715 157 S 4.3970 7.8646 114.0887 61.8970 63.1144 176.3049 158 D 4.5183 8.1933 122.3029 56.8503 40.4338 178.0531 159 Y 4.0572 7.9623 120.3558 60.7821 38.7589 178.0899 160 F 3.9834 8.1912 118.7133 60.2282 38.9860 177.5230 161 F 4.0394 8.3509 120.2951 61.1837 39.2928 176.8076 162 A 4.0673 8.5892 120.9271 55.2077 18.1815 179.6349 163 G 2.9518 8.2977 104.4391 47.8731 0.0000 175.5377 164 A 3.8283 8.0208 124.1049 54.7887 18.2651 179.9971 165 R 4.0461 7.4909 117.6535 58.7042 29.9826 179.4768 166 V 3.5027 7.4314 118.1515 65.9408 31.2898 178.2320 167 V 3.6211 7.9611 117.2073 65.9239 31.5021 177.6480 168 N 4.4197 8.1881 115.9921 56.1619 38.4789 176.9600 169 A 3.9954 7.8645 122.1170 55.5953 18.2939 179.9797 170 R 4.1345 8.1867 114.4585 58.5429 30.1807 178.3720 171 S 4.6914 8.0461 113.2866 57.7757 63.3809 175.0452 172 G 3.8855 8.3241 110.5180 45.4609 0.0000 173.3360 173 I 4.2791 7.4246 120.5532 58.9267 38.2964 175.9635 174 G 3.8208 8.4889 114.5097 45.3758 0.0000 172.4198 175 D 4.5271 8.2541 119.1470 53.7065 41.8173 175.8148 176 V 4.0223 8.1388 121.4335 62.6895 32.6913 174.6333 177 E 5.2513 8.7327 126.4777 54.6574 32.7323 174.7419 178 Y 4.4067 8.7557 124.4167 56.9525 39.6126 174.9273 179 E 4.4070 8.1894 126.0293 54.9900 31.5608 175.7941 180 R 3.9910 8.0154 122.9529 56.6507 29.9042 174.4971 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 2 K 8.31 3.97 0.00 1.71 1.94 0.00 1.42 0.00 0.00 1.71 0.00 0.00 2.61 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.54 0.65 7.81 3 L 7.75 4.35 0.00 1.63 1.58 0.99 0.82 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 4 Y 9.65 4.30 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 5 T 7.93 3.36 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 *23 D 7.58 4.43 0.00 2.77 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 24 S 8.35 4.20 0.00 4.10 4.11 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 25 L 7.91 3.98 0.00 1.72 1.77 1.04 0.99 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 26 R 7.86 3.91 0.00 1.99 1.97 0.00 3.14 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.73 0.00 27 V 7.52 3.69 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 0.84 0.00 0.00 1.03 0.00 0.00 28 E 8.55 4.06 0.00 2.19 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 2.31 2.41 0.00 29 S 8.00 4.13 0.00 4.16 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 30 Y 8.38 4.09 0.00 3.06 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 31 G 8.34 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 0.00 0.00 0.00 32 T 8.09 3.98 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 1.24 0.00 0.00 33 I 7.82 3.81 1.94 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 1.43 0.76 0.85 0.00 0.00 34 D 7.89 4.15 0.00 2.54 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 35 E 8.28 4.00 0.00 2.26 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 0.00 2.62 2.50 0.00 36 L 8.47 4.07 0.00 1.79 1.94 0.99 0.72 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 37 N 8.48 4.44 0.00 3.02 2.93 0.00 0.00 7.21 9.00 0.00 0.00 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 8.20 4.11 0.00 4.03 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 8.32 4.03 0.00 3.12 3.05 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 40 I 7.75 3.99 2.17 0.00 0.00 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 1.55 1.02 1.11 0.00 0.00 41 G 7.98 3.61 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 0.00 0.00 0.00 42 L 7.75 3.92 0.00 1.59 1.77 0.87 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.98 4.04 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 44 L 8.02 3.91 0.00 2.01 1.82 0.98 0.81 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 45 A 8.08 4.01 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 46 E 8.30 4.02 0.00 2.16 1.91 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 2.26 2.34 0.00 47 L 8.05 4.01 0.00 1.86 1.68 0.83 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.10 4.35 0.00 4.05 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 49 G 7.57 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 50 Q 7.37 4.73 0.00 2.22 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 51 P 0.00 4.58 0.00 2.15 2.05 0.00 3.78 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 1.97 1.96 0.00 52 G 9.41 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 53 F 7.26 5.03 0.00 3.15 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 54 E 8.51 4.04 0.00 2.09 2.04 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 2.42 2.50 0.00 55 D 8.15 4.45 0.00 2.86 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 56 L 8.29 4.41 0.00 1.95 2.04 0.99 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.30 3.82 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 1.39 0.00 0.00 58 A 7.99 4.02 1.49 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 59 E 9.15 4.06 0.00 2.48 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 0.00 2.79 2.80 0.00 60 L 8.78 4.19 0.00 1.96 1.90 1.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.06 4.10 0.00 1.94 1.88 1.00 0.93 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 62 T 8.01 3.92 4.39 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 1.09 0.00 0.00 63 I 7.81 3.97 2.20 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.67 1.11 0.00 0.00 64 Q 8.21 4.17 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.65 2.55 0.00 65 H 8.24 4.21 0.00 3.33 3.36 0.00 5.82 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 66 E 8.40 3.92 0.00 2.21 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.48 0.00 67 L 8.84 4.04 0.00 1.79 1.79 1.11 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.35 4.09 0.00 3.29 3.25 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 69 D 8.28 4.38 0.00 3.00 2.70 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 70 C 8.15 4.13 0.00 3.14 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 71 G 8.11 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 72 G 7.72 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 0.00 0.00 0.00 73 D 8.37 4.73 0.00 2.71 2.55 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 74 L 8.04 4.27 0.00 1.80 1.76 0.94 0.56 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 75 A 8.30 4.38 1.04 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 76 I 7.43 3.31 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.29 0.86 0.00 0.00 77 V 8.22 3.66 2.35 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 0.66 0.00 0.00 1.00 0.00 0.00 78 T 8.13 4.70 4.22 0.00 0.00 0.00 0.00 0.00 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 79 E 7.78 4.39 0.00 2.06 1.62 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 2.22 2.16 0.00 80 R 8.46 2.51 0.00 1.69 1.77 0.00 3.24 0.00 0.00 3.42 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 81 K 7.78 3.81 0.00 1.69 1.81 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.38 7.81 82 D 7.78 4.65 0.00 2.58 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 83 Y 7.47 4.62 0.00 2.88 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 84 K 9.37 4.20 0.00 1.79 1.91 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.55 7.81 85 L 7.80 3.93 0.00 1.47 1.64 0.41 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.04 4.70 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 87 E 8.56 4.10 0.00 2.03 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 0.00 2.43 2.37 0.00 88 E 8.21 4.10 0.00 2.07 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 2.42 2.49 0.00 89 S 7.84 4.25 0.00 4.05 4.20 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 90 V 7.81 3.76 2.30 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 1.07 0.00 0.00 1.13 0.00 0.00 91 S 8.11 4.32 0.00 4.13 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 92 F 8.68 4.06 0.00 3.20 3.25 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 93 L 7.89 3.75 0.00 1.99 1.57 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.11 3.95 0.00 2.20 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 0.00 2.31 2.53 0.00 95 T 8.05 3.85 4.15 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 1.01 0.00 0.00 96 R 7.65 3.44 0.00 1.98 1.66 0.00 2.78 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 0.77 1.28 0.00 97 I 7.71 3.92 2.06 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 1.62 0.83 0.96 0.00 0.00 98 D 7.90 4.33 0.00 2.61 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 99 A 7.94 3.90 1.14 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 0.00 0.00 100 Y 8.61 4.39 0.00 3.01 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 0.00 101 T 8.06 3.91 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 1.25 0.00 0.00 102 A 8.05 4.15 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 0.00 103 E 8.32 3.90 0.00 2.17 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 2.36 2.37 0.00 104 A 7.76 4.09 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 0.00 105 P 0.00 4.42 0.00 2.18 2.06 0.00 3.77 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 1.97 0.00 106 E 8.72 3.97 0.00 1.97 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 0.00 2.32 2.25 0.00 107 L 8.44 4.60 0.00 1.76 1.68 1.15 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.61 4.48 0.00 1.79 1.85 0.00 1.51 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.26 1.33 7.81 109 K 7.46 4.50 0.00 1.70 1.71 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.40 7.81 110 F 8.29 4.90 0.00 3.13 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 0.00 111 I 8.68 5.07 2.25 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.86 0.94 0.00 0.00 112 L 8.43 4.87 0.00 1.54 1.59 1.11 1.15 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 0.00 113 P 0.00 3.81 0.00 1.99 1.94 0.00 3.80 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 2.01 2.06 0.00 114 G 8.95 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 0.00 115 G 8.13 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 0.00 116 S 10.63 4.33 0.00 3.91 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 0.00 117 K 8.58 3.78 0.00 1.82 1.83 0.00 1.88 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.54 7.81 118 C 8.00 4.03 0.00 2.78 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 0.00 119 A 7.85 3.90 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 0.00 120 S 8.16 4.08 0.00 4.06 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 0.00 121 L 7.98 4.01 0.00 1.80 1.70 0.90 0.48 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 0.00 122 L 7.80 3.87 0.00 1.76 1.66 0.80 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 123 H 8.12 4.30 0.00 3.40 3.33 0.00 5.82 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 0.00 124 I 7.94 3.56 2.01 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 1.38 0.75 0.60 0.00 0.00 125 A 7.72 3.71 0.42 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 0.00 126 R 7.66 4.06 0.00 2.10 2.19 0.00 3.37 0.00 0.00 3.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.98 0.00 127 T 8.12 3.94 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 1.24 0.00 0.00 128 I 7.93 3.70 1.69 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 5.72 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.58 4.05 0.00 2.17 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 2.37 2.39 0.00 148 T 7.54 3.79 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 1.18 0.00 0.00 149 V 7.82 3.51 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 1.07 0.00 0.00 0.77 0.00 0.00 150 L 7.87 3.94 0.00 1.70 1.81 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 151 R 7.87 3.92 0.00 1.94 1.99 0.00 3.19 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 152 Y 8.42 3.99 0.00 3.10 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 0.00 153 L 8.43 4.03 0.00 1.88 1.74 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 154 N 8.16 4.30 0.00 2.89 3.01 0.00 0.00 7.28 8.13 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 0.00 155 R 8.11 4.05 0.00 2.04 1.83 0.00 3.23 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 156 L 7.90 3.65 0.00 1.34 1.73 0.27 0.96 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 0.00 157 S 7.86 4.40 0.00 4.27 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 0.00 158 D 8.19 4.52 0.00 2.86 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 0.00 159 Y 7.96 4.06 0.00 2.99 2.94 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 0.00 160 F 8.19 3.98 0.00 3.42 3.19 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 0.00 161 F 8.35 4.04 0.00 3.21 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 0.00 162 A 8.59 4.07 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 0.00 163 G 8.30 2.95 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 0.00 0.00 0.00 164 A 8.02 3.83 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 0.00 165 R 7.49 4.05 0.00 1.83 1.82 0.00 3.29 0.00 0.00 2.90 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.83 0.00 166 V 7.43 3.50 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 0.98 0.00 0.00 0.94 0.00 0.00 167 V 7.96 3.62 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 0.56 0.00 0.00 0.63 0.00 0.00 168 N 8.19 4.42 0.00 2.95 3.14 0.00 0.00 6.83 6.40 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 0.00 169 A 7.86 4.00 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 0.00 170 R 8.19 4.13 0.00 2.12 2.10 0.00 3.25 0.00 0.00 3.29 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 171 S 8.05 4.69 0.00 4.02 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 0.00 172 G 8.32 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 0.00 173 I 7.42 4.28 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 1.35 0.82 0.90 0.00 0.00 174 G 8.49 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 0.00 175 D 8.25 4.53 0.00 2.70 2.56 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 0.00 176 V 8.14 4.02 2.27 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 1.07 0.00 0.00 0.91 0.00 0.00 177 E 8.73 5.25 0.00 1.88 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 2.24 2.29 0.00 178 Y 8.76 4.41 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 0.00 179 E 8.19 4.41 0.00 1.82 1.76 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 2.17 2.22 0.00 180 R 8.02 3.99 0.00 1.31 1.24 0.00 3.29 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.