NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8681 8.3549 109.7297 45.0037 0.0000 174.1530 4 Q 4.2954 7.7295 117.8505 55.2934 30.5600 175.7875 5 L 3.9628 8.5780 120.7835 57.9594 42.9371 178.0336 6 T 4.0993 8.0700 115.5907 66.7845 68.2149 175.8764 7 K 4.1498 7.7977 121.3984 59.1868 32.2704 178.7309 8 Q 3.9274 7.8954 119.5709 59.1883 29.0788 177.5457 9 H 4.2146 8.1185 117.5880 58.6840 28.7112 177.9711 10 V 3.5659 7.4266 118.5233 66.2623 31.0780 178.3678 11 R 4.0888 8.2901 117.6840 59.0084 28.3739 178.4709 12 A 4.2023 8.0512 119.6812 53.7559 18.8639 179.1030 13 L 4.1667 7.6394 117.1933 56.7372 41.8798 179.1356 14 A 4.3019 8.5970 121.2090 55.3666 18.7241 179.6458 15 I 3.9870 7.5156 116.8558 63.4365 36.8193 178.4934 16 S 4.1715 7.3565 111.9244 60.9507 62.6034 175.4115 17 A 4.2745 7.7430 119.0443 53.4608 18.0111 178.0348 18 L 4.6729 7.7196 116.5489 52.9191 45.3108 176.2244 19 A 3.7479 7.8359 119.3101 52.4371 16.0448 174.7224 20 P 3.8100 0.0000 0.0000 61.3577 32.7033 176.5928 21 K 4.4784 8.2697 121.6470 53.5697 35.4229 173.7209 22 P 4.2138 0.0000 0.0000 64.8448 31.6221 176.0109 23 H 4.2588 11.1022 117.3944 56.1456 26.9573 174.2475 24 E 4.9652 8.0850 120.0965 55.4762 31.6911 175.0638 25 T 5.1903 9.1802 120.9047 61.1218 70.9770 173.6318 26 L 4.5688 9.1231 128.8864 53.1329 45.0794 174.9692 27 W 5.5781 8.2704 120.9543 55.1005 32.8382 173.8675 28 D 5.5112 9.2776 125.5585 52.9210 42.4498 174.8385 29 I 4.4662 9.1643 128.6853 61.3623 38.4556 175.7575 30 G 4.1230 8.7145 120.6852 46.3424 0.0000 175.2028 *34 G 4.0591 8.0342 107.3693 44.5670 0.0000 174.4296 35 S 4.3706 7.8548 116.6192 60.8761 63.1399 176.2987 36 I 3.4946 7.5686 122.8086 64.3098 36.8336 177.8683 37 A 3.5939 7.3644 119.1155 55.1867 18.0809 179.5754 38 I 3.9114 7.6478 117.5630 64.0243 37.3920 177.8272 39 E 3.9808 8.2229 119.4760 58.7841 29.7118 178.5254 40 W 4.2312 9.2040 129.8378 60.4877 30.9396 178.0499 41 L 4.1122 8.1317 118.9736 57.5456 40.8105 178.7417 42 R 4.2834 7.7774 115.4661 56.5032 30.2421 177.7253 43 S 4.3830 7.5063 114.5776 59.2423 64.0087 174.0257 44 T 4.3915 6.4875 113.4624 59.9556 70.6434 171.2391 45 P 4.3281 0.0000 0.0000 63.5171 31.9370 176.1857 46 Q 3.6156 8.6324 116.0331 57.2523 26.1473 173.2201 47 T 5.1288 7.2561 106.0422 60.2173 71.3773 172.9623 48 T 5.1708 9.2166 112.3850 60.3520 73.0690 172.2068 49 A 5.0684 8.7114 121.3340 50.7354 23.3029 175.3069 50 V 4.4885 8.9588 121.7138 61.2413 33.9186 174.0700 51 C 4.8930 8.5509 126.0032 58.2561 30.1805 173.0189 52 F 4.9079 8.8271 122.3007 55.3780 39.5854 173.3524 53 E 4.7516 8.4172 122.5845 54.1165 31.7938 175.6390 54 I 3.8686 8.5254 125.0474 62.8749 38.7621 176.2345 55 S 4.5068 7.6800 114.6900 57.1496 63.7295 174.3620 56 E 3.7599 8.7505 129.3575 59.1700 29.5020 178.7316 57 E 3.9483 8.0584 118.3739 59.6048 29.7005 179.3571 58 R 4.0295 8.8953 118.9626 58.9649 30.1620 179.2977 59 R 3.9032 8.6450 118.6667 59.1763 30.0690 178.7927 60 E 3.9083 8.2103 118.3261 59.3654 29.4016 179.2072 61 R 3.8197 7.7384 118.0376 59.6239 30.0672 178.1708 62 I 3.6963 7.6876 119.3790 64.7237 37.1287 178.2275 63 L 3.8265 7.8883 120.4005 57.8795 41.7188 178.5192 64 S 4.0685 8.4764 113.9976 61.3268 62.2562 175.6610 65 N 4.2420 9.1101 119.2687 56.2525 38.2917 177.0243 66 A 3.9941 8.6472 122.5229 55.6622 18.2452 179.8893 67 I 3.6731 7.6590 116.6712 64.4363 37.1184 178.0987 68 N 4.4694 8.5574 117.6037 56.0421 38.4669 176.4133 69 L 4.5312 7.8339 118.1682 54.7713 42.2650 176.2996 70 G 4.2883 7.8497 112.4174 46.7260 0.0000 176.7942 71 V 4.0894 7.7838 110.4435 61.4341 30.9164 177.9736 72 S 3.8298 8.0187 118.5622 61.4294 62.6558 176.4642 73 D 4.4629 8.1320 119.0500 55.3135 39.5576 176.6682 74 R 4.5917 8.8352 117.9668 55.7516 32.0970 175.4128 75 I 4.9704 7.3919 117.9732 59.5388 40.8334 174.7968 76 A 4.4236 8.4859 126.2564 50.8527 22.5158 175.3746 77 V 4.2657 8.3467 123.5096 61.8715 32.3365 175.0767 78 Q 4.5243 8.9712 127.9089 54.0935 32.3513 175.0293 79 Q 4.7368 8.1975 118.2962 55.4326 30.8016 176.3858 80 G 3.7057 8.3491 106.6290 45.7764 0.0000 173.2731 81 A 4.0923 7.9194 123.4558 50.6339 19.7011 175.8327 82 P 4.0736 0.0000 0.0000 63.0430 31.7079 179.0607 83 R 4.0033 7.6508 120.1894 58.9649 30.1185 178.2713 84 A 4.9269 7.8995 121.4247 53.8205 18.2225 179.4932 85 F 4.4793 7.2763 116.1742 60.5161 38.8249 176.7064 86 D 4.7015 7.7173 114.6367 54.9042 39.6196 176.9979 87 D 4.8548 8.2430 120.2915 53.9553 42.2939 175.8084 88 V 4.6536 7.6072 121.3536 59.9329 30.6504 173.9019 89 P 4.4247 0.0000 0.0000 64.2692 31.6963 177.0298 90 D 4.6582 7.6785 118.1837 52.0135 39.5313 176.0906 91 N 4.0867 8.6807 122.3008 52.6333 39.1418 172.9760 92 P 4.0074 0.0000 0.0000 61.9635 32.6147 175.8378 93 D 4.4537 8.1806 119.9237 56.4215 41.7074 176.4729 94 V 4.7885 7.2144 116.5319 61.1758 35.6972 173.8400 95 I 4.9506 8.5894 126.2174 59.5835 40.4921 174.0536 96 F 5.0470 9.5379 130.3311 56.8580 40.9168 174.1928 97 I 5.2195 7.3822 127.3680 59.0414 41.1114 177.0656 *101 L 4.3579 8.6452 130.3355 56.5380 41.7861 177.7408 102 T 4.1303 7.9026 108.4523 62.8969 69.6757 174.9807 103 A 4.1255 7.8163 125.8977 51.2837 19.0369 174.8047 104 P 4.3256 0.0000 0.0000 64.3323 31.6933 177.3413 105 G 3.9981 9.0961 108.9650 46.4707 0.0000 175.4676 106 V 3.6140 7.9112 119.5100 66.2285 31.4548 177.7162 107 F 4.1911 8.2659 119.6473 61.1162 39.1543 176.9298 108 A 3.9875 8.2373 119.6597 54.6932 17.9878 178.8533 109 A 4.1288 7.7362 118.0253 53.8785 18.5984 178.8118 110 A 3.8168 7.1921 116.2345 53.9368 19.5846 178.9257 111 W 4.1721 7.2712 126.9374 60.7345 30.2921 178.0490 112 K 3.8603 7.5946 118.0609 58.6252 31.6640 177.9027 113 R 4.3844 8.4511 116.2594 54.7178 30.5677 175.7252 114 L 3.8244 6.8763 122.3609 53.2967 42.2708 174.7319 115 P 4.1760 0.0000 0.0000 62.6270 32.5513 176.1938 116 V 3.6538 8.0279 122.3153 64.5071 31.5653 176.3380 117 G 3.9372 8.8760 115.6396 45.4032 0.0000 173.8923 118 G 3.7821 7.6125 106.9710 46.1904 0.0000 172.6968 119 R 5.2331 8.5027 117.7995 54.1653 34.4948 174.7698 120 L 5.1543 8.8662 122.9411 53.4787 46.2726 175.2844 121 V 5.1077 8.9979 123.0565 60.2884 35.7376 174.3386 122 A 4.5277 8.0664 128.0915 50.8849 21.8002 175.6528 123 N 5.1347 8.5808 119.6041 53.7919 40.4743 175.1367 124 A 4.5089 8.6455 121.3068 51.0531 22.6511 177.2911 125 V 4.8480 8.4788 122.9251 61.1130 32.2654 175.7722 126 T 4.7396 7.5509 109.4013 59.9317 73.2281 174.0083 127 V 3.2359 8.2589 120.3433 65.9019 31.2755 177.9557 128 E 3.8903 8.0440 117.3054 59.4665 29.5273 178.7702 129 S 4.2407 7.6039 113.2184 61.6568 63.2201 176.2529 130 E 3.9723 9.0028 122.7221 59.3711 29.5065 178.9568 131 Q 4.1525 8.1534 117.0880 57.2233 29.7669 178.8577 *133 L 3.9197 7.8868 122.1336 54.5912 43.8869 179.3194 134 W 4.0012 8.0828 118.2098 59.8105 29.0257 178.4569 135 A 3.9747 7.8381 120.1409 55.0919 17.6664 179.6152 136 L 3.7488 7.0280 116.8018 57.3487 41.5130 179.5372 137 R 3.7154 6.9859 119.9789 58.4171 29.7097 178.5198 138 K 3.9126 7.7580 118.1061 59.4689 32.4001 178.1189 139 Q 3.7660 7.1924 117.1936 58.4237 28.9678 176.7582 140 F 5.0955 8.5961 115.4942 56.4684 42.0070 176.1181 141 G 3.8286 8.2744 107.8546 45.3434 0.0000 172.7467 142 G 4.1566 8.8942 108.2620 45.4703 0.0000 172.0584 143 T 4.8359 10.7500 113.8322 61.8232 71.3453 174.0997 144 I 4.9570 8.2599 124.4507 59.9977 40.1700 174.7589 145 S 4.7298 8.6401 119.9121 57.2341 67.9244 172.9220 146 S 4.4490 7.9625 114.2279 56.5290 65.8247 173.3815 147 F 5.0730 8.7511 119.7576 55.7932 42.1868 173.6940 148 A 5.0229 8.9183 125.6907 50.2574 20.7993 175.2191 149 I 4.5937 8.4401 122.7462 59.8443 40.7331 175.0084 150 S 5.2425 8.5928 120.6077 57.2685 66.0159 172.9238 151 H 5.1047 9.1312 119.3779 53.4817 32.4055 173.4565 152 E 4.2354 8.8261 119.6270 57.3269 30.1779 176.7940 153 H 4.5288 9.1245 123.3987 55.0074 32.6088 172.6263 154 T 4.8846 8.3855 122.7299 62.1918 67.4698 175.3059 155 V 4.0085 8.1711 128.1591 61.5948 31.6150 177.7688 156 G 3.9562 8.3430 119.6544 45.8396 0.0000 172.8115 157 S 4.5263 8.8053 118.6541 58.0490 64.0721 173.6979 158 F 5.2938 7.8383 120.8209 56.0933 40.8629 174.5370 159 I 4.9475 8.2037 123.9878 59.9483 40.5921 174.2411 160 T 4.4338 7.7465 114.5062 61.2596 68.2951 176.2214 *162 K 4.1947 8.6615 124.9185 55.5062 33.0794 171.4278 163 P 5.0141 0.0000 0.0000 62.2279 32.3473 176.8527 164 A 4.4553 8.6149 126.3448 51.1182 20.3292 176.7505 165 L 4.2006 8.3977 116.9820 53.9729 42.3879 175.1662 166 P 4.4918 0.0000 0.0000 62.6970 32.3269 175.5779 167 V 4.4544 8.2521 124.7759 61.7123 32.8994 174.8868 168 H 4.7805 9.0860 125.8544 55.6365 30.6944 174.4613 169 Q 4.9163 8.7471 121.4491 54.6406 33.0099 172.9094 170 W 5.4154 9.0219 135.0000 56.1039 32.9605 174.5673 171 T 4.7681 10.6247 123.5190 61.5952 71.0550 173.3393 172 V 4.6187 7.7616 126.0202 59.6567 34.4615 174.9089 173 V 4.2502 8.4895 125.7687 62.0926 32.2422 175.5078 174 K 4.4577 9.5070 130.4232 56.4819 33.6888 176.7701 175 A 4.1562 8.3455 126.6628 52.8726 18.9242 176.3060 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 G 8.35 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 4 Q 7.73 4.30 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 5 L 8.58 3.96 0.00 1.68 1.68 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.07 4.10 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 1.40 0.00 0.00 7 K 7.80 4.15 0.00 1.80 1.98 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 8 Q 7.90 3.93 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.67 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 9 H 8.12 4.21 0.00 3.49 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.43 3.57 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 0.96 0.00 0.00 1.05 0.00 0.00 11 R 8.29 4.09 0.00 1.88 2.22 0.00 3.30 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.96 0.00 12 A 8.05 4.20 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 13 L 7.64 4.17 0.00 1.72 1.23 0.33 0.44 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 14 A 8.60 4.30 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 0.00 0.00 0.00 0.00 0.00 15 I 7.52 3.99 1.90 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 1.50 1.43 0.95 0.00 0.00 16 S 7.36 4.17 0.00 3.96 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 17 A 7.74 4.27 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 0.00 0.00 0.00 0.00 0.00 18 L 7.72 4.67 0.00 1.89 2.15 1.15 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.84 3.75 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 0.00 0.00 0.00 0.00 0.00 20 P 0.00 3.81 0.00 1.43 0.49 0.00 3.50 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 21 K 8.27 4.48 0.00 1.77 1.77 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.36 7.81 22 P 0.00 4.21 0.00 2.02 1.80 0.00 3.77 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 23 H 11.10 4.26 0.00 3.36 3.47 0.00 5.64 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.09 4.97 0.00 2.47 2.39 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 2.40 2.37 0.00 25 T 9.18 5.19 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 1.38 0.00 0.00 26 L 9.12 4.57 0.00 0.27 0.24 0.48 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 27 W 8.27 5.58 0.00 3.25 3.22 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 0.00 28 D 9.28 5.51 0.00 2.82 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.16 4.47 2.13 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.36 1.01 0.00 0.00 30 G 8.71 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 0.00 0.00 0.00 *34 G 8.03 4.06 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 0.00 0.00 0.00 35 S 7.85 4.37 0.00 4.04 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 36 I 7.57 3.49 1.50 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 -0.36 0.51 0.00 0.00 37 A 7.36 3.59 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 38 I 7.65 3.91 1.88 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 1.05 0.92 0.00 0.00 39 E 8.22 3.98 0.00 2.10 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 0.00 2.32 2.31 0.00 40 W 9.20 4.23 0.00 3.35 3.23 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 0.00 41 L 8.13 4.11 0.00 2.05 1.75 1.05 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.78 4.28 0.00 1.96 1.92 0.00 3.15 0.00 0.00 3.27 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 43 S 7.51 4.38 0.00 3.85 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 6.49 4.39 4.02 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 0.96 0.00 0.00 45 P 0.00 4.33 0.00 2.16 1.91 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 46 Q 8.63 3.62 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 47 T 7.26 5.13 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 0.95 0.00 0.00 48 T 9.22 5.17 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 1.29 0.00 0.00 49 A 8.71 5.07 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.96 4.49 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 -0.07 0.00 0.00 1.00 0.00 0.00 51 C 8.55 4.89 0.00 2.74 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 52 F 8.83 4.91 0.00 2.99 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 53 E 8.42 4.75 0.00 1.95 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 2.20 2.33 0.00 54 I 8.53 3.87 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 1.29 0.91 0.91 0.00 0.00 55 S 7.68 4.51 0.00 4.01 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 56 E 8.75 3.76 0.00 2.06 1.92 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 2.36 2.38 0.00 57 E 8.06 3.95 0.00 2.01 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 2.39 2.34 0.00 58 R 8.90 4.03 0.00 1.79 1.97 0.00 3.25 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 59 R 8.65 3.90 0.00 1.85 1.94 0.00 3.07 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 60 E 8.21 3.91 0.00 2.26 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 2.32 2.40 0.00 61 R 7.74 3.82 0.00 1.92 2.09 0.00 3.16 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 62 I 7.69 3.70 2.00 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 1.39 0.87 0.87 0.00 0.00 63 L 7.89 3.83 0.00 1.75 1.64 0.90 0.87 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 64 S 8.48 4.07 0.00 3.87 4.02 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 65 N 9.11 4.24 0.00 2.76 2.85 0.00 0.00 7.02 6.99 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 66 A 8.65 3.99 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 67 I 7.66 3.67 2.09 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 1.51 0.64 0.90 0.00 0.00 68 N 8.56 4.47 0.00 2.81 2.86 0.00 0.00 7.00 6.69 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 69 L 7.83 4.53 0.00 1.57 1.67 1.00 1.09 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 70 G 7.85 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 71 V 7.78 4.09 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 0.87 0.00 0.00 0.94 0.00 0.00 72 S 8.02 3.83 0.00 3.99 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.07 0.00 2.16 2.07 0.00 3.53 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 83 R 7.65 4.00 0.00 1.77 1.91 0.00 3.09 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 84 A 7.90 4.93 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 85 F 7.28 4.48 0.00 3.23 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 86 D 7.72 4.70 0.00 2.94 2.85 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 87 D 8.24 4.85 0.00 3.05 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 88 V 7.61 4.65 2.36 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 1.33 0.00 0.00 1.07 0.00 0.00 89 P 0.00 4.42 0.00 2.27 2.22 0.00 3.89 0.00 0.00 3.89 0.00 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0.00 0.00 0.00 0.00 135 A 7.84 3.97 1.23 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 0.00 0.00 0.00 136 L 7.03 3.75 0.00 0.44 0.89 0.16 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 137 R 6.99 3.72 0.00 1.09 1.90 0.00 2.85 0.00 0.00 3.18 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 138 K 7.76 3.91 0.00 1.75 1.71 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.45 7.81 139 Q 7.19 3.77 0.00 1.85 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.53 0.00 0.00 0.00 0.00 0.00 1.24 1.95 0.00 140 F 8.60 5.10 0.00 3.17 3.23 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 0.00 141 G 8.27 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 0.00 142 G 8.89 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 T 10.75 4.84 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 1.26 0.00 0.00 144 I 8.26 4.96 1.58 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.29 0.57 0.00 0.00 145 S 8.64 4.73 0.00 3.33 3.33 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 0.00 146 S 7.96 4.45 0.00 3.55 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 0.00 147 F 8.75 5.07 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 0.00 148 A 8.92 5.02 1.23 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 0.00 0.00 0.00 149 I 8.44 4.59 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.87 0.73 0.00 0.00 150 S 8.59 5.24 0.00 3.69 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 0.00 151 H 9.13 5.10 0.00 2.97 3.21 0.00 5.66 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 0.00 152 E 8.83 4.24 0.00 1.89 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 2.34 2.35 0.00 153 H 9.12 4.53 0.00 3.19 3.17 0.00 5.58 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 8.39 4.88 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 1.35 0.00 0.00 155 V 8.17 4.01 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 1.02 0.00 0.00 1.01 0.00 0.00 156 G 8.34 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 0.00 157 S 8.81 4.53 0.00 4.00 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 0.00 158 F 7.84 5.29 0.00 3.19 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 0.00 159 I 8.20 4.95 1.89 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 1.53 0.88 0.94 0.00 0.00 160 T 7.75 4.43 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 1.28 0.00 0.00 *162 K 8.66 4.19 0.00 1.81 1.92 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.50 7.81 163 P 0.00 5.01 0.00 2.00 1.98 0.00 3.74 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 2.03 2.10 0.00 164 A 8.61 4.46 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 0.00 165 L 8.40 4.20 0.00 1.69 1.65 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 166 P 0.00 4.49 0.00 2.12 2.10 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 167 V 8.25 4.45 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 1.21 0.00 0.00 1.05 0.00 0.00 168 H 9.09 4.78 0.00 3.22 3.08 0.00 5.85 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 0.00 169 Q 8.75 4.92 0.00 2.38 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 170 W 9.02 5.42 0.00 3.19 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 T 10.62 4.77 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 1.19 0.00 0.00 172 V 7.76 4.62 2.01 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 0.52 0.00 0.00 1.30 0.00 0.00 173 V 8.49 4.25 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 0.76 0.00 0.00 0.95 0.00 0.00 174 K 9.51 4.46 0.00 1.37 1.47 0.00 0.61 0.00 0.00 1.23 0.00 0.00 2.36 0.00 0.00 2.23 0.00 0.00 0.00 0.00 1.17 1.07 7.81 175 A 8.35 4.16 1.26 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.