NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2944 8.2649 123.5937 52.1021 19.9139 176.6061 3 Y 4.2962 8.3564 120.8587 57.1968 38.8066 173.1399 4 A 4.8807 8.8534 125.1726 50.8059 22.7652 175.2485 5 Y 4.7263 8.5073 115.6258 56.0162 42.3555 174.8606 6 L 5.1353 8.6156 122.9280 53.5107 44.8523 175.3798 7 F 5.4448 9.2589 126.1007 55.7216 41.7122 174.6151 8 K 5.0248 9.1205 125.8172 56.2298 33.5111 174.8620 9 Y 5.6745 9.6223 125.6986 56.3692 40.9969 174.7512 10 I 5.2405 8.7571 115.4411 59.2613 41.6212 174.0989 11 I 4.8387 8.7044 124.9975 59.7183 39.7158 174.7228 12 I 4.3299 9.8703 127.5504 58.2580 41.0544 175.4086 13 G 3.8473 7.0121 114.6071 44.1241 0.0000 171.7157 14 D 4.8747 7.9994 119.7447 54.0104 41.4607 176.5481 15 T 3.9397 8.3228 111.5536 63.3165 69.1054 174.7880 16 G 3.9872 8.9260 111.9549 45.8812 0.0000 174.6319 17 V 3.7421 7.2777 112.4560 62.7183 32.0083 176.5819 18 G 4.0445 8.6059 108.9021 45.6309 0.0000 175.7665 19 K 3.8570 8.5723 121.7875 59.4063 32.0223 179.0030 20 S 4.1047 7.9870 112.6402 61.7000 62.4100 175.8078 21 C 4.2696 8.0865 118.9502 62.6331 27.9529 175.9102 22 L 4.1007 8.5190 121.2510 57.6369 41.2304 179.2256 23 L 4.0180 8.0101 120.2689 58.2542 42.0209 178.8784 24 L 3.9403 8.0561 120.2669 57.9253 41.8611 178.5479 25 Q 4.1740 8.2951 121.1004 58.6036 28.8002 178.2376 26 F 4.0396 7.8144 120.3611 61.3474 39.4303 176.9317 27 T 3.6476 7.5576 108.0486 64.0545 68.2730 175.6532 28 D 4.6740 8.1341 119.3366 52.2066 41.6417 176.7134 29 K 4.4988 7.7201 117.0319 56.3136 30.0969 175.0891 30 R 4.6964 7.3190 116.1684 54.1983 33.0011 174.8152 31 F 5.0062 8.8584 124.7505 57.1249 40.7385 175.6172 32 Q 4.0372 7.7776 125.9754 52.1894 29.9014 170.1586 33 P 4.1749 0.0000 0.0000 64.0937 31.3088 179.1136 34 V 3.7497 6.9931 118.5942 61.8793 29.1476 179.4987 *35 H 4.5951 8.3426 123.7521 53.9406 28.2392 175.7066 36 D 4.8519 8.2419 124.3624 50.0356 40.3573 169.6851 37 L 4.4189 8.0962 123.2864 54.0713 42.4779 177.2614 38 T 4.3705 9.1830 122.5758 61.5205 67.9494 174.1843 39 I 3.9376 8.1497 127.7767 62.9205 37.4120 177.1060 40 G 4.4761 9.8173 113.7422 44.6949 0.0000 173.3946 41 V 4.6935 7.6915 112.5118 61.1222 32.9891 175.6384 42 E 4.6255 8.5426 120.7443 55.4684 30.5385 175.2099 43 F 4.9370 8.4876 125.5227 57.1012 42.6063 173.0239 44 G 4.0162 7.6738 110.2373 44.9184 0.0000 171.1689 45 A 5.0309 7.8529 120.2438 50.3871 22.5741 175.4567 46 R 4.4307 8.6188 118.3147 55.5381 34.1824 173.4573 47 M 5.0572 8.4524 124.4460 53.9581 33.5966 175.3706 48 I 4.6958 8.9209 116.5629 59.3479 41.8594 174.1685 49 T 4.9985 8.4229 118.9048 61.8822 70.6068 174.0014 50 I 4.2603 8.3480 127.4494 60.2544 39.8251 175.3057 51 D 4.3023 9.3907 125.7281 55.4355 39.1802 174.1044 52 G 3.9174 8.3147 103.0142 45.6258 0.0000 173.6234 53 K 4.6012 7.8153 120.1423 54.2887 34.2210 175.4067 54 Q 4.6483 8.5759 122.9321 55.7969 30.2933 174.9272 55 I 4.8443 9.0694 124.4848 59.3076 40.8814 174.2330 56 K 4.7176 9.1112 129.2580 55.2443 33.9249 174.9364 57 L 5.0437 9.1001 127.9980 53.2356 44.0024 175.3186 58 Q 4.8252 9.0621 123.3183 54.2145 31.3702 174.5973 59 I 5.1168 8.1113 125.7018 59.2354 40.2658 174.6404 60 W 5.2487 9.4581 127.3852 54.9954 31.6944 174.5091 61 D 4.9033 9.0702 125.5851 53.4370 41.2023 175.6896 62 T 3.7551 8.0031 115.5707 61.1558 69.4072 175.0108 63 A 4.4170 7.2164 123.9195 53.0021 18.7980 177.1953 64 G 3.7061 8.8272 111.9845 45.6014 0.0000 175.1130 65 Q 4.8465 8.2061 117.8406 55.6503 29.2709 177.0112 66 E 4.4551 8.4921 121.0422 59.5478 29.6833 179.5115 67 S 4.1165 8.1167 112.3197 60.5263 63.3117 174.8748 68 F 4.3512 8.1244 117.6128 56.8786 39.4046 175.5594 69 R 2.5100 7.2600 118.6458 55.7193 27.8676 177.0222 70 S 4.7492 7.7093 110.9862 57.2179 64.8338 173.0422 71 I 4.5715 8.6636 121.9656 59.5462 39.1089 175.8505 72 T 3.9259 8.6711 118.4937 64.1711 69.0415 175.8508 73 R 4.1521 8.8217 125.5903 59.4148 30.1292 179.1634 74 S 4.0888 8.0066 113.5299 61.4797 62.6081 176.0832 75 Y 3.9655 7.7890 120.4794 61.2724 37.6013 178.2338 76 Y 4.5713 7.9084 116.9139 59.4428 37.6960 175.8586 77 R 4.0069 7.1478 119.2139 57.5086 30.0990 176.4252 78 G 3.9494 9.0617 112.7080 45.7136 0.0000 172.7790 79 A 4.3557 8.0876 123.0587 52.1420 18.9809 177.7627 80 A 4.4892 9.3502 124.7031 52.8964 21.0898 177.3609 81 G 4.0819 7.9981 101.1458 44.3024 0.0000 171.5416 82 A 5.1750 9.0149 125.2096 49.7672 22.3465 175.1138 83 L 4.6107 8.7011 123.3760 53.4558 43.3405 175.6609 84 L 4.7751 9.0057 128.1554 53.5594 43.4703 175.0866 85 V 4.8800 8.8391 127.6322 61.1979 33.5649 174.1463 86 Y 4.8916 8.9178 125.3968 55.2593 41.9978 173.6183 87 D 5.2204 8.8336 119.5225 52.3474 42.4047 177.1629 88 I 3.9159 8.6853 121.2532 63.7312 37.7376 177.5901 89 T 4.6002 7.9482 108.9198 61.5862 69.2825 175.0713 90 R 4.6201 8.1551 121.8152 53.5726 31.7432 175.5531 91 R 4.0325 9.2012 124.5029 59.1308 30.1197 177.5416 92 D 4.4296 8.2576 117.9719 57.5235 40.9635 178.1587 93 T 4.5523 7.7736 110.8105 64.3918 69.1083 176.0495 94 F 3.8823 8.2356 123.0657 60.8679 39.2855 176.5537 95 N 4.4033 8.4793 114.9598 55.1748 38.5370 175.9717 96 H 4.7662 7.4133 115.6146 55.5235 29.2465 176.1271 97 L 4.1383 7.4196 124.3605 58.0537 41.2098 179.5295 98 T 4.0102 7.8238 109.2667 64.7326 68.8947 176.8323 99 T 3.7923 7.7469 118.4209 66.3044 68.4085 176.4897 100 W 4.3900 8.0433 120.3088 59.8464 29.1566 178.0384 101 L 4.0387 8.4294 120.4246 58.1938 41.5000 178.4196 102 E 3.9084 8.6647 119.6272 59.4248 29.6424 178.3082 103 D 4.4045 8.0545 117.2337 57.4457 41.3438 178.1139 104 A 3.6147 8.4265 121.4068 55.2181 18.1743 179.8541 105 R 3.8246 8.2211 115.9083 59.3627 30.1747 178.9102 106 Q 4.0907 7.9423 116.7548 57.6576 28.9190 176.3273 107 H 4.7979 7.6077 113.1491 54.8188 30.5507 173.1220 108 S 4.6480 7.1984 113.9186 55.5762 65.4862 173.4562 109 N 4.4150 8.4211 119.9834 53.3296 39.2027 175.9220 110 S 4.1139 8.7587 120.0298 61.4162 62.9297 175.0565 111 N 4.5078 8.7495 116.7266 54.1944 38.7327 174.9411 112 M 4.2426 7.7382 119.7273 55.6250 32.8763 176.1159 113 V 3.8160 8.7688 127.0654 62.8880 33.3497 174.5883 114 I 4.8544 8.2908 127.4860 59.7630 40.2752 173.9348 115 M 4.7657 8.8170 128.5844 53.7390 33.6647 174.7268 116 L 4.7649 9.2352 130.5290 55.0911 43.6840 175.4351 117 I 4.6291 9.2328 127.8384 59.3838 40.1731 174.9874 118 G 3.1572 8.3092 115.4825 44.7442 0.0000 172.4798 119 N 5.0861 8.5800 126.1201 51.4225 41.7758 174.4392 120 K 4.2794 8.7065 117.3729 58.1411 28.6366 178.4268 121 S 4.3086 8.0321 114.0277 60.0916 62.8249 174.8643 122 D 4.3874 7.9446 120.9466 55.4787 40.3346 176.5222 123 L 4.5011 7.6704 123.0309 53.6531 41.2035 177.3743 124 E 3.9330 8.0365 123.1016 59.3444 30.1909 178.5962 125 S 4.2780 8.0827 111.1480 60.3294 63.2003 174.7286 126 R 4.5221 7.8199 119.6994 55.6459 30.3594 175.4941 127 R 4.2278 7.8506 119.4781 56.7116 30.3076 176.1592 128 E 4.5555 9.2647 123.0446 55.7341 31.3587 175.9550 129 V 4.2211 7.4847 118.4565 60.2099 33.7289 175.1490 130 K 4.0359 9.0083 127.7616 56.2010 32.8643 177.7172 131 K 4.3586 8.9007 124.9870 59.4332 31.8988 178.9132 132 E 4.2095 8.0395 119.1479 58.7519 29.3678 179.0769 133 E 4.0332 7.9962 118.9246 59.1383 29.4084 179.5745 134 G 3.5719 7.6534 106.5667 47.2323 0.0000 175.2425 135 E 3.4167 7.3449 121.1353 58.9876 29.4891 179.5185 136 A 4.0171 8.0704 120.6586 54.9849 18.3163 179.4856 137 F 3.9298 8.3333 119.0252 61.1814 39.4072 177.1477 138 A 4.0925 8.3200 120.5422 55.2959 18.4140 179.5142 139 R 3.7794 8.1447 117.3151 59.6464 29.9400 178.2288 140 E 3.8991 7.9591 117.7229 58.7623 29.5507 177.5737 141 H 4.7406 7.4060 112.8049 54.6111 29.2880 174.5880 142 G 3.8264 7.6292 107.2030 46.7770 0.0000 173.8954 143 L 5.0205 8.0327 118.7123 52.6252 44.4241 176.6012 144 I 4.4488 8.3612 115.0793 60.1903 40.0622 174.2107 145 F 5.5595 8.4612 123.5739 57.2286 42.6238 173.3807 146 M 4.3626 7.9661 122.8680 53.9927 36.9438 173.3406 147 E 4.8681 8.2734 121.5901 55.0508 31.8796 175.1217 148 T 4.8780 8.7831 113.4827 59.8614 73.2326 172.8134 149 S 4.5725 8.7146 116.7338 56.3300 64.0346 174.3556 150 A 4.0541 8.7788 131.6334 55.2193 18.5579 178.7619 151 K 2.4962 7.8602 116.0437 59.1374 32.1566 177.7061 152 T 4.0646 7.6549 105.1068 60.9020 69.4003 175.2989 153 A 3.7039 8.0749 124.9994 52.0686 17.5163 177.3794 154 S 4.0527 7.4965 111.9675 59.8080 62.5860 174.5054 155 N 4.7855 9.0166 122.5775 53.8247 36.5027 176.3620 156 V 3.6281 7.8619 119.1545 66.0529 31.5939 177.1875 157 E 4.2392 8.4396 118.6142 59.9205 29.2201 178.7032 158 E 3.9944 8.3099 117.4324 59.1306 29.6392 178.8753 159 A 3.8989 8.4268 121.3043 55.4613 18.5551 179.8245 160 F 4.0310 8.0767 115.7720 60.6314 38.8674 178.1992 161 I 3.9076 8.1784 119.6778 64.5621 36.9671 178.3213 162 N 4.6446 8.7681 117.7113 56.3012 38.1967 177.6984 163 T 3.7819 7.9041 117.0492 66.5008 68.4631 176.5183 164 A 4.2949 8.0569 122.1975 55.1769 18.4051 179.6710 165 K 3.9782 8.7162 117.4349 59.6616 32.1606 179.0928 166 E 3.9271 8.3440 119.3274 59.3287 29.3736 178.7466 167 I 3.5378 7.6794 118.6997 64.6301 37.2078 177.5373 168 Y 4.1551 8.2458 119.1117 60.7292 38.7559 177.2131 169 E 4.1845 8.7987 118.9538 58.3862 29.9225 176.7489 170 K 4.1311 7.9964 121.9300 57.0686 32.5930 176.5094 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 A 8.26 4.29 1.31 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 0.00 0.00 0.00 3 Y 8.36 4.30 0.00 2.75 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 4 A 8.85 4.88 1.16 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 5 Y 8.51 4.73 0.00 2.49 2.28 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 6 L 8.62 5.14 0.00 1.63 1.61 1.07 0.77 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 7 F 9.26 5.44 0.00 3.05 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 8 K 9.12 5.02 0.00 2.13 2.09 0.00 1.88 0.00 0.00 2.08 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.85 1.96 7.81 9 Y 9.62 5.67 0.00 2.96 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 10 I 8.76 5.24 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.30 1.15 0.00 0.00 11 I 8.70 4.84 1.84 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.28 0.83 0.00 0.00 12 I 9.87 4.33 1.56 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 0.87 0.62 -0.02 0.00 0.00 13 G 7.01 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 0.00 0.00 0.00 14 D 8.00 4.87 0.00 2.86 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 15 T 8.32 3.94 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 1.28 0.00 0.00 16 G 8.93 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 17 V 7.28 3.74 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 0.80 0.00 0.00 0.95 0.00 0.00 18 G 8.61 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 19 K 8.57 3.86 0.00 1.79 1.85 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.17 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.44 7.81 20 S 7.99 4.10 0.00 4.03 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 21 C 8.09 4.27 0.00 3.14 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 22 L 8.52 4.10 0.00 1.98 1.92 0.87 0.50 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 23 L 8.01 4.02 0.00 1.86 1.89 0.86 0.57 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 24 L 8.06 3.94 0.00 1.80 1.65 0.92 0.60 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 25 Q 8.30 4.17 0.00 2.43 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.51 2.33 0.00 26 F 7.81 4.04 0.00 2.34 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.56 3.65 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 1.10 0.00 0.00 28 D 8.13 4.67 0.00 2.82 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 29 K 7.72 4.50 0.00 1.84 1.83 0.00 1.53 0.00 0.00 1.49 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.22 7.81 30 R 7.32 4.70 0.00 2.00 1.78 0.00 3.05 0.00 0.00 3.07 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 31 F 8.86 5.01 0.00 2.89 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 32 Q 7.78 4.04 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.73 0.00 0.00 0.00 0.00 0.00 2.25 1.89 0.00 33 P 0.00 4.17 0.00 2.08 2.07 0.00 3.36 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.88 0.00 34 V 6.99 3.75 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 0.69 0.00 0.00 0.93 0.00 0.00 *35 H 8.34 4.60 0.00 2.92 2.91 0.00 7.11 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.24 4.85 0.00 2.63 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 4.42 0.00 1.66 1.69 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 38 T 9.18 4.37 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 1.26 0.00 0.00 39 I 8.15 3.94 1.94 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 1.41 0.80 1.06 0.00 0.00 40 G 9.82 4.48 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 41 V 7.69 4.69 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 0.85 0.00 0.00 1.03 0.00 0.00 42 E 8.54 4.63 0.00 2.19 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 2.62 2.31 0.00 43 F 8.49 4.94 0.00 1.89 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 0.00 0.00 0.00 44 G 7.67 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 0.00 0.00 0.00 45 A 7.85 5.03 1.09 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 46 R 8.62 4.43 0.00 1.58 1.50 0.00 2.50 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.27 0.00 47 M 8.45 5.06 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 48 I 8.92 4.70 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.97 1.05 0.00 0.00 49 T 8.42 5.00 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 1.18 0.00 0.00 50 I 8.35 4.26 1.49 0.00 0.00 0.86 0.00 0.00 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8.08 4.28 0.00 4.01 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 0.00 126 R 7.82 4.52 0.00 1.85 1.94 0.00 3.30 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 127 R 7.85 4.23 0.00 1.83 1.93 0.00 3.20 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 128 E 9.26 4.56 0.00 1.93 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 2.23 2.38 0.00 129 V 7.48 4.22 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 -0.00 0.00 0.00 0.87 0.00 0.00 130 K 9.01 4.04 0.00 1.81 1.90 0.00 1.72 0.00 0.00 1.53 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.32 7.81 131 K 8.90 4.36 0.00 1.90 1.89 0.00 1.85 0.00 0.00 1.86 0.00 0.00 3.34 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.71 1.72 7.81 132 E 8.04 4.21 0.00 2.06 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 2.39 2.31 0.00 133 E 8.00 4.03 0.00 1.90 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 2.27 2.23 0.00 134 G 7.65 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.34 3.42 0.00 2.00 1.90 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 2.25 2.12 0.00 136 A 8.07 4.02 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 0.00 137 F 8.33 3.93 0.00 3.42 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 0.00 138 A 8.32 4.09 1.56 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 0.00 0.00 139 R 8.14 3.78 0.00 2.01 1.89 0.00 3.09 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 140 E 7.96 3.90 0.00 1.90 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 1.97 2.16 0.00 141 H 7.41 4.74 0.00 2.89 3.13 0.00 5.80 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.63 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 0.00 143 L 8.03 5.02 0.00 1.64 1.82 1.18 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.36 4.45 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.99 0.93 0.00 0.00 145 F 8.46 5.56 0.00 3.03 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 0.00 146 M 7.97 4.36 0.00 1.76 1.62 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 147 E 8.27 4.87 0.00 1.81 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 0.00 2.26 2.30 0.00 148 T 8.78 4.88 4.19 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 1.10 0.00 0.00 149 S 8.71 4.57 0.00 3.84 3.66 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 0.00 150 A 8.78 4.05 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 0.00 151 K 7.86 2.50 0.00 0.98 1.42 0.00 1.46 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.90 0.21 7.81 152 T 7.65 4.06 4.17 0.00 0.00 0.00 0.00 0.00 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 0.00 153 A 8.07 3.70 1.48 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 0.00 154 S 7.50 4.05 0.00 3.78 3.74 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 0.00 155 N 9.02 4.79 0.00 3.00 2.86 0.00 0.00 7.25 7.68 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 0.00 156 V 7.86 3.63 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 1.20 0.00 0.00 1.04 0.00 0.00 157 E 8.44 4.24 0.00 2.22 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 0.00 2.46 2.63 0.00 158 E 8.31 3.99 0.00 2.26 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 2.42 2.47 0.00 159 A 8.43 3.90 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 0.00 160 F 8.08 4.03 0.00 2.39 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.18 3.91 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.83 0.97 0.00 0.00 162 N 8.77 4.64 0.00 2.78 2.87 0.00 0.00 7.05 6.91 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 0.00 163 T 7.90 3.78 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 0.71 0.00 0.00 164 A 8.06 4.29 1.70 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 0.00 0.00 165 K 8.72 3.98 0.00 1.96 2.07 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.75 7.81 166 E 8.34 3.93 0.00 2.23 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 2.28 2.37 0.00 167 I 7.68 3.54 1.60 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 1.24 0.64 -0.12 0.00 0.00 168 Y 8.25 4.16 0.00 3.05 3.21 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 0.00 169 E 8.80 4.18 0.00 2.11 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 2.48 2.67 0.00 170 K 8.00 4.13 0.00 1.85 1.91 0.00 1.60 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.35 7.81 * Residues marked with a * may have inaccurate shift predictions.