NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2828 8.4444 121.4656 56.1946 30.9468 174.3758 4 E 4.2308 8.7523 122.1496 57.0405 31.5933 174.3736 5 H 5.0975 7.9153 112.4327 54.1073 33.9865 172.2888 6 V 4.3689 8.3284 120.8177 61.4542 34.6904 173.8544 7 I 4.9842 8.5278 128.4307 59.6382 39.1866 174.9673 8 I 4.3330 9.1091 128.1155 59.3510 40.4592 174.2877 9 Q 3.7739 8.3025 127.9739 54.1455 29.6125 174.3225 10 A 4.6540 7.9134 129.3132 50.2060 21.5139 174.7763 11 E 5.5845 8.6411 120.6089 53.8112 33.8870 174.7867 12 F 5.1766 8.1291 115.4241 56.2071 41.2363 172.1585 13 Y 5.2149 8.8770 120.1732 55.9335 42.5504 173.2439 14 L 5.0440 8.8282 128.1983 53.3501 44.9718 174.9848 15 N 5.4245 8.8809 122.9314 51.1152 41.2828 172.3714 16 P 4.7670 0.0000 0.0000 63.0815 31.5690 176.8778 17 D 4.4002 8.0454 119.7277 55.7904 41.2521 175.9870 18 Q 3.4235 7.6451 116.5771 56.1905 26.9094 173.6155 19 S 4.7256 7.2852 112.4440 56.7158 65.9938 174.9688 20 G 4.2954 8.3123 109.6879 44.6983 0.0000 171.0870 21 E 4.7841 8.1377 120.1369 54.5432 33.6667 173.6740 22 F 5.0964 8.5458 126.2203 56.4852 43.5811 173.1623 *24 F 4.4314 8.4821 122.0088 57.2534 40.5773 173.2365 25 D 5.3920 9.6361 123.1066 52.3656 44.5756 174.4966 26 F 4.9660 9.6386 127.2014 57.4423 41.5843 174.7464 27 D 4.0820 9.1819 130.3830 55.2599 38.7301 175.1375 28 G 4.0434 8.4860 106.9535 45.3096 0.0000 173.5276 29 D 5.0702 8.3790 119.9205 52.2513 43.1180 175.0991 30 E 4.6662 8.7223 123.2990 56.1766 30.6706 176.4055 31 I 4.6383 8.9160 127.9356 63.7755 38.5959 175.5223 32 F 5.0763 7.4932 113.6430 57.1722 39.9155 172.2932 33 H 5.1790 8.5073 113.0290 54.7182 32.1510 172.6061 34 V 4.7503 8.3399 113.0246 59.6335 33.5459 177.1615 35 D 4.4913 8.5692 124.7897 54.1300 41.7807 175.3046 *37 A 4.3059 8.4760 118.9948 52.6008 20.1966 178.8165 38 K 3.9974 8.2335 113.0386 57.4732 32.8597 177.3640 39 K 3.9840 8.2071 117.8545 57.1114 29.9666 174.4140 40 E 4.8008 7.3187 115.1619 54.7718 33.9903 176.2063 41 T 4.3919 8.4967 118.5544 63.4429 69.4595 174.0788 42 V 4.2001 8.4590 127.3407 60.7291 33.4338 174.5781 43 W 4.7881 8.7055 128.6422 56.4661 29.3180 176.4924 44 R 4.1480 9.1096 125.9621 58.8847 30.3593 176.7032 45 L 4.4339 6.8789 118.9850 52.1685 43.6623 176.7446 46 E 3.9035 8.8538 122.2517 59.8490 29.7345 179.2505 47 E 3.8560 8.2900 118.4044 59.3524 29.4561 178.8427 48 F 4.3818 8.2718 117.8575 61.0290 38.8376 178.2958 49 G 2.2896 6.6650 101.7798 46.8870 0.0000 175.3599 50 R 3.7249 7.5365 119.0876 57.4817 30.1096 177.0353 51 F 4.7562 7.2425 115.0940 57.0779 40.8839 174.4575 52 A 4.7765 7.0415 121.4204 50.7409 22.3116 174.4937 53 S 5.1051 8.3000 111.7638 57.6220 65.6028 173.6513 54 F 4.5895 8.3380 122.8384 56.5359 42.0992 173.8988 55 E 3.8425 7.7122 128.3964 54.9104 28.7637 176.1598 56 A 3.9884 8.4388 129.5765 55.6400 18.3961 178.7062 57 Q 3.9628 8.5257 116.3135 59.1019 28.6827 179.7669 58 G 3.4818 7.9844 106.9662 47.4718 0.0000 175.7450 59 A 3.2583 8.0345 123.4845 54.4121 18.2125 179.4720 60 L 3.8338 7.7464 118.2724 58.1645 42.2470 178.8331 61 A 3.9661 7.7626 120.1622 55.2448 18.3359 179.2659 62 N 4.2964 8.0734 114.7798 56.7656 38.7236 177.5894 63 I 4.0788 8.7241 122.4577 63.7261 37.2983 178.2213 64 A 3.8958 8.1730 121.5624 55.3544 18.1841 179.9568 65 V 3.5578 7.8014 116.6195 65.9543 31.1228 177.8622 66 D 4.3767 8.4707 119.2634 57.2497 40.7038 178.6514 67 K 3.2459 8.1544 120.0725 59.3052 32.0659 178.5552 68 A 3.9558 7.6879 120.5956 55.3600 18.0257 179.4160 69 N 4.3277 8.2666 114.5143 56.1917 38.6609 177.0919 70 L 4.1194 8.0073 121.4273 57.9010 42.4451 178.4894 71 E 4.1235 8.0219 118.8606 59.3355 29.5874 179.0381 72 I 3.4500 7.3727 116.1886 63.0097 37.1480 177.7094 *74 T 4.1176 7.7427 118.0391 63.5724 70.5079 176.2282 75 K 3.0268 7.7880 121.6142 59.3138 31.9449 178.7706 76 R 4.0077 7.9347 118.1902 59.1460 30.0105 177.6905 77 S 4.2769 7.7045 110.8170 57.7808 63.8955 172.9038 78 N 4.0934 8.4621 120.0926 55.7337 37.2650 172.8755 79 Y 3.4704 7.2866 108.8301 59.0128 36.2840 171.6998 80 T 4.1693 7.9561 116.8942 62.3162 68.7344 173.7426 81 P 4.5486 0.0000 0.0000 61.8198 32.5107 175.7266 82 I 3.9863 7.9167 119.0719 60.8831 38.6516 175.1375 83 T 4.3738 8.1945 123.0801 62.3834 69.3559 174.6714 84 N 4.7318 8.7098 124.2155 53.2846 39.5891 174.5464 85 V 4.5205 8.9400 122.7946 60.1279 34.0592 173.1734 86 P 4.7415 0.0000 0.0000 62.5777 31.8816 174.2372 87 P 4.9586 0.0000 0.0000 62.2929 33.6313 174.4327 88 E 4.6005 9.0652 120.9228 54.4393 31.8182 174.4137 89 V 5.4878 8.3276 126.6988 60.8836 33.6343 174.8500 90 T 4.8682 8.5446 122.8784 61.8011 72.8000 172.7601 91 V 5.2557 8.4614 124.5234 61.2565 34.3426 174.2973 92 L 4.7322 8.7388 126.1333 55.0997 44.0078 174.3899 93 T 4.6290 8.4335 110.4399 61.0964 69.6687 174.2690 94 N 4.6678 9.0745 122.3222 56.7131 39.4981 174.6713 95 S 4.6553 7.9375 109.6709 55.9272 66.1884 172.0503 96 P 4.3740 0.0000 0.0000 63.3395 31.1122 176.7762 97 V 4.0970 8.4549 115.0989 61.5901 32.7000 175.8946 98 E 4.7854 8.7220 119.1059 55.6602 32.7389 175.0740 99 L 3.8449 8.4959 124.0686 56.3771 42.1708 177.8736 100 R 3.7783 7.9343 118.8073 56.5081 28.3005 176.0341 101 E 4.4456 7.8502 117.9424 53.5131 30.6370 174.0981 102 P 4.2239 0.0000 0.0000 63.4610 32.0718 175.2931 103 N 5.0080 8.4796 121.7033 51.9872 43.6066 172.4538 104 V 4.7159 8.1592 118.5976 60.8689 34.9016 173.6777 105 L 4.3295 8.2364 129.8834 53.7843 43.7083 174.9320 106 I 4.8714 8.6835 127.1870 59.6249 40.2388 173.5632 107 C 4.8876 9.5086 128.0092 54.9297 44.0739 172.3555 108 F 4.7353 9.3638 126.9489 56.4477 40.3122 175.0075 109 I 4.6490 8.4999 125.4731 59.5777 39.2936 174.4223 110 D 5.1922 8.6575 125.4669 51.8946 45.3810 174.6238 111 K 3.8679 8.5113 118.8732 57.3825 29.6637 173.6817 112 F 5.2229 6.9855 112.0755 55.7447 42.5326 174.7263 113 T 4.6930 8.4003 110.7420 60.6542 71.1862 170.6691 114 P 4.7824 0.0000 0.0000 61.3240 32.4727 175.3382 115 P 3.8245 0.0000 0.0000 61.1760 28.9805 175.9505 116 V 4.1908 6.9863 119.0709 61.9009 34.6248 173.8828 117 V 4.4147 8.1795 125.3305 60.3343 34.5625 173.0026 118 N 4.8264 8.5372 121.2654 51.8344 41.1072 173.2320 119 V 4.7419 8.2553 125.9712 61.1020 34.0622 174.5588 120 T 4.6495 8.5064 117.4309 59.6649 72.1540 172.8093 121 W 5.1638 8.7786 124.0756 55.7371 31.4151 175.0106 122 L 5.2520 9.3973 124.0281 52.9251 44.8789 175.4240 123 R 4.6023 9.5193 125.0438 54.6975 32.2665 175.0620 124 N 4.2365 9.7795 124.7298 54.2766 36.5297 176.0591 125 G 3.9964 8.7094 107.3849 44.9615 0.0000 174.1766 126 K 4.5419 7.7471 119.9322 53.6426 33.6862 174.2492 127 P 4.8119 0.0000 0.0000 63.0462 31.7884 175.7543 128 V 4.5114 8.7827 122.3856 61.4732 33.8483 175.2072 129 T 4.5106 8.3746 121.3958 63.7338 70.9293 173.2636 130 T 3.9229 8.0560 117.4033 65.0595 68.2195 174.3107 131 G 3.9115 8.8874 114.4132 45.3227 0.0000 173.2885 132 V 4.0119 7.4398 112.8270 62.1766 32.4312 175.3441 133 S 4.9015 8.9325 116.0028 57.5469 66.3192 172.3212 134 E 5.0309 8.6161 120.5431 55.6766 32.6484 173.7621 135 T 4.7170 8.1716 116.4263 61.9083 71.4276 174.8247 136 V 3.8633 8.0458 116.0524 59.7985 33.0686 176.1059 137 F 4.3892 8.5814 120.0554 58.5236 39.1895 175.0619 138 L 4.8848 9.2484 125.1270 52.7118 43.5433 174.9762 139 P 4.6690 0.0000 0.0000 62.9765 32.4819 175.7116 140 R 4.6436 7.8917 118.0483 54.2140 34.1226 176.4021 141 E 3.7998 8.7228 120.2987 59.4503 29.5652 177.8342 142 D 4.3277 7.7619 115.2350 53.4794 39.6088 176.3239 143 H 3.9026 7.8239 115.3865 56.4687 26.5566 174.5737 144 L 4.2274 7.1139 120.4347 53.5435 43.5417 175.0433 145 F 5.0359 8.2575 117.4816 55.9996 43.2039 174.7012 146 R 5.0172 8.7322 117.4969 54.9463 34.6109 174.6750 147 K 4.7022 8.9495 121.3385 55.4671 36.3345 174.3334 148 F 5.1393 8.7437 124.8542 55.9878 42.3079 174.0278 149 H 5.1794 8.4565 118.2899 54.2150 32.7839 172.1490 150 Y 5.3778 9.2435 119.7165 56.3368 42.0285 174.9178 151 L 3.9803 8.3663 123.7732 52.2271 43.9319 173.5835 152 P 4.9470 0.0000 0.0000 62.7830 32.3874 175.3370 153 F 4.7334 8.9202 116.7470 56.2707 41.9526 172.2873 154 L 4.3513 8.3450 121.1192 52.3645 42.8966 174.0450 155 P 4.3935 0.0000 0.0000 63.4670 32.2228 175.6060 156 S 4.6474 8.4300 116.3282 57.3880 65.2449 173.8803 157 T 4.4586 7.9125 112.9293 62.6629 69.3079 175.6592 158 E 4.3152 8.0198 121.1334 57.9029 30.3378 176.7136 159 D 4.4806 7.9027 118.1622 54.0298 41.6155 176.1602 160 V 4.4046 8.0906 121.6112 60.3897 33.9934 174.5840 161 Y 5.3404 9.1377 124.0037 57.6638 40.1321 174.5699 162 D 5.1572 9.3419 119.8211 53.2568 46.1217 173.8912 163 C 4.5449 8.9169 123.7155 54.7666 46.2475 172.3509 164 R 4.6829 8.6179 128.9729 55.3935 31.0557 175.1133 165 V 4.6409 8.9668 126.7923 60.9883 34.7291 173.9089 166 E 4.9063 8.3983 126.3864 54.9475 32.8624 174.5118 167 H 4.3139 8.2447 119.6344 54.8950 32.7035 174.6206 168 W 4.4729 8.3181 125.4189 59.5536 29.1316 177.7233 169 G 3.8033 8.3624 106.2398 47.8274 0.0000 173.8725 170 L 4.3750 7.9394 120.0031 54.5156 42.4459 176.2215 171 D 4.7863 8.0823 117.8312 54.4044 41.8792 176.3564 172 E 4.7603 7.6096 114.2953 54.4966 31.4414 173.7675 173 P 4.4246 0.0000 0.0000 63.2884 32.4133 175.2865 174 L 4.6628 9.0020 124.6177 53.2587 44.5225 174.8509 175 L 5.0370 8.5382 125.9185 52.9352 44.0469 175.7943 176 K 4.5378 8.5036 123.9862 54.8221 33.7492 176.0801 177 H 5.0955 8.9821 122.4482 56.0344 29.8989 174.8769 178 W 4.4846 8.8020 126.4791 56.9544 34.6085 172.9507 179 E 4.6879 7.1207 122.4680 54.7546 31.6647 174.8088 180 F 3.8740 8.7305 123.5030 59.8447 39.9042 174.6371 181 D 4.4587 8.0467 125.6832 54.6790 41.8376 173.0826 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 E 8.44 4.28 0.00 1.92 1.88 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 2.14 2.28 0.00 4 E 8.75 4.23 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.18 0.00 5 H 7.92 5.10 0.00 3.15 2.96 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.33 4.37 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 0.98 0.00 0.00 0.87 0.00 0.00 7 I 8.53 4.98 1.99 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.00 1.14 0.00 0.00 8 I 9.11 4.33 1.76 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 1.02 0.91 0.76 0.00 0.00 9 Q 8.30 3.77 0.00 1.04 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 1.51 1.23 0.00 10 A 7.91 4.65 1.15 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 0.00 0.00 11 E 8.64 5.58 0.00 1.84 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.81 0.00 12 F 8.13 5.18 0.00 3.16 3.28 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 13 Y 8.88 5.21 0.00 3.15 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 14 L 8.83 5.04 0.00 1.70 1.44 0.90 0.42 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 15 N 8.88 5.42 0.00 2.81 2.76 0.00 0.00 7.08 8.02 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 16 P 0.00 4.77 0.00 2.18 2.14 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 17 D 8.05 4.40 0.00 2.67 2.82 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 18 Q 7.65 3.42 0.00 2.24 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.60 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 19 S 7.29 4.73 0.00 3.74 3.76 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 20 G 8.31 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 21 E 8.14 4.78 0.00 1.24 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 22 F 8.55 5.10 0.00 3.11 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 *24 F 8.48 4.43 0.00 1.74 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 25 D 9.64 5.39 0.00 2.53 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 26 F 9.64 4.97 0.00 3.13 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 27 D 9.18 4.08 0.00 2.48 2.52 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 0.00 0.00 0.00 28 G 8.49 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 0.00 0.00 0.00 29 D 8.38 5.07 0.00 3.04 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 30 E 8.72 4.67 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 31 I 8.92 4.64 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.60 1.39 0.00 0.00 32 F 7.49 5.08 0.00 2.56 2.66 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 0.00 0.00 0.00 33 H 8.51 5.18 0.00 3.35 3.50 0.00 5.22 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.34 4.75 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 0.90 0.00 0.00 0.99 0.00 0.00 35 D 8.57 4.49 0.00 2.77 2.62 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 *37 A 8.48 4.31 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.23 4.00 0.00 1.91 1.90 0.00 1.93 0.00 0.00 2.08 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.55 7.81 39 K 8.21 3.98 0.00 1.86 1.83 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.50 7.81 40 E 7.32 4.80 0.00 1.97 1.97 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 2.26 2.32 0.00 41 T 8.50 4.39 4.07 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 0.00 0.00 0.06 0.00 0.00 42 V 8.46 4.20 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 1.00 0.00 0.00 0.94 0.00 0.00 43 W 8.71 4.79 0.00 3.24 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 44 R 9.11 4.15 0.00 2.15 2.10 0.00 3.35 0.00 0.00 3.32 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.72 0.00 45 L 6.88 4.43 0.00 0.27 0.92 0.77 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.85 3.90 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 47 E 8.29 3.86 0.00 2.40 2.29 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 2.43 2.35 0.00 48 F 8.27 4.38 0.00 3.09 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 49 G 6.67 2.29 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 50 R 7.54 3.72 0.00 0.67 1.27 0.00 2.82 0.00 0.00 2.98 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.33 0.00 51 F 7.24 4.76 0.00 2.89 2.93 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 52 A 7.04 4.78 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 53 S 8.30 5.11 0.00 4.01 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 54 F 8.34 4.59 0.00 2.29 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 0.00 0.00 0.00 0.00 55 E 7.71 3.84 0.00 1.81 1.38 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 2.20 2.12 0.00 56 A 8.44 3.99 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 57 Q 8.53 3.96 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 58 G 7.98 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 59 A 8.03 3.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.75 3.83 0.00 1.74 1.83 0.93 0.96 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 61 A 7.76 3.97 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 62 N 8.07 4.30 0.00 3.20 3.31 0.00 0.00 7.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.72 4.08 2.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 1.06 0.00 0.00 64 A 8.17 3.90 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 65 V 7.80 3.56 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 1.08 0.00 0.00 0.96 0.00 0.00 66 D 8.47 4.38 0.00 2.97 2.82 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 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0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 77 S 7.70 4.28 0.00 4.01 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 78 N 8.46 4.09 0.00 2.81 2.96 0.00 0.00 7.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 7.29 3.47 0.00 3.20 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 80 T 7.96 4.17 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 1.21 0.00 0.00 81 P 0.00 4.55 0.00 2.15 2.04 0.00 3.77 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 1.98 1.94 0.00 82 I 7.92 3.99 1.88 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 1.44 0.83 0.92 0.00 0.00 83 T 8.19 4.37 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 84 N 8.71 4.73 0.00 2.81 2.93 0.00 0.00 6.80 7.68 0.00 0.00 0.00 0.00 0.00 0.00 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93 T 8.43 4.63 4.50 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 0.93 0.00 0.00 94 N 9.07 4.67 0.00 2.71 3.03 0.00 0.00 6.95 8.25 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 95 S 7.94 4.66 0.00 4.05 3.81 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 96 P 0.00 4.37 0.00 2.27 2.19 0.00 3.81 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 2.05 2.05 0.00 97 V 8.45 4.10 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 1.21 0.00 0.00 1.37 0.00 0.00 98 E 8.72 4.79 0.00 2.03 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 2.39 2.43 0.00 99 L 8.50 3.84 0.00 1.52 1.45 1.14 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.93 3.78 0.00 1.89 2.03 0.00 3.12 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 101 E 7.85 4.45 0.00 2.02 1.82 0.00 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7.75 4.54 0.00 2.05 1.75 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.45 7.81 127 P 0.00 4.81 0.00 2.07 2.05 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 128 V 8.78 4.51 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 0.82 0.00 0.00 1.12 0.00 0.00 129 T 8.37 4.51 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 0.00 130 T 8.06 3.92 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 0.00 131 G 8.89 3.91 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 0.00 0.00 0.00 132 V 7.44 4.01 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 1.05 0.00 0.00 133 S 8.93 4.90 0.00 3.95 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 0.00 134 E 8.62 5.03 0.00 1.41 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 2.13 2.21 0.00 135 T 8.17 4.72 4.59 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 1.32 0.00 0.00 136 V 8.05 3.86 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.98 0.00 0.00 137 F 8.58 4.39 0.00 3.26 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 0.00 138 L 9.25 4.88 0.00 1.69 1.70 1.29 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.67 0.00 2.00 2.04 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 140 R 7.89 4.64 0.00 1.77 1.76 0.00 3.08 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 141 E 8.72 3.80 0.00 1.85 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 2.24 2.23 0.00 142 D 7.76 4.33 0.00 2.65 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 0.00 143 H 7.82 3.90 0.00 3.23 3.31 0.00 5.64 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.11 4.23 0.00 1.45 1.36 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 145 F 8.26 5.04 0.00 2.04 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 0.00 146 R 8.73 5.02 0.00 1.72 1.59 0.00 3.16 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.52 0.00 147 K 8.95 4.70 0.00 1.88 1.52 0.00 1.02 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 1.06 7.81 148 F 8.74 5.14 0.00 2.76 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 0.00 0.00 0.00 149 H 8.46 5.18 0.00 2.87 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Y 9.24 5.38 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 0.00 151 L 8.37 3.98 0.00 0.27 0.13 0.18 0.91 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 0.00 152 P 0.00 4.95 0.00 1.91 1.90 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 153 F 8.92 4.73 0.00 3.03 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 0.00 154 L 8.34 4.35 0.00 1.61 1.57 0.80 0.80 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 0.00 155 P 0.00 4.39 0.00 1.91 1.71 0.00 3.32 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.56 0.00 156 S 8.43 4.65 0.00 3.76 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 0.00 157 T 7.91 4.46 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 1.45 0.00 0.00 158 E 8.02 4.32 0.00 1.97 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 2.29 2.32 0.00 159 D 7.90 4.48 0.00 2.66 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 0.00 0.00 0.00 160 V 8.09 4.40 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 0.79 0.00 0.00 1.02 0.00 0.00 161 Y 9.14 5.34 0.00 3.28 3.08 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 0.00 162 D 9.34 5.16 0.00 2.63 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 0.00 163 C 8.92 4.54 0.00 2.45 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 0.00 164 R 8.62 4.68 0.00 1.83 1.81 0.00 3.03 0.00 0.00 3.03 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 165 V 8.97 4.64 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.63 0.00 0.00 166 E 8.40 4.91 0.00 1.74 1.61 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 2.10 2.08 0.00 167 H 8.24 4.31 0.00 2.89 2.92 0.00 5.69 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 W 8.32 4.47 0.00 3.57 3.11 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 0.00 169 G 8.36 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 0.00 0.00 0.00 170 L 7.94 4.37 0.00 1.71 1.75 0.89 0.85 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 0.00 171 D 8.08 4.79 0.00 2.65 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 0.00 172 E 7.61 4.76 0.00 1.99 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 0.00 2.05 2.18 0.00 173 P 0.00 4.42 0.00 1.91 1.98 0.00 3.60 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.17 0.00 174 L 9.00 4.66 0.00 1.55 1.40 0.86 0.62 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 0.00 175 L 8.54 5.04 0.00 1.47 1.69 0.88 0.88 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 0.00 176 K 8.50 4.54 0.00 1.65 1.79 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.67 7.81 177 H 8.98 5.10 0.00 3.11 3.25 0.00 5.74 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 W 8.80 4.48 0.00 3.53 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 E 7.12 4.69 0.00 1.84 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 1.90 1.98 0.00 180 F 8.73 3.87 0.00 3.14 3.08 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 0.00 181 D 8.05 4.46 0.00 2.51 2.47 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 * Residues marked with a * may have inaccurate shift predictions.