NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 G 4.0715 8.2133 109.7395 45.2726 0.0000 175.6406 23 D 4.0961 8.2712 122.0204 56.8025 40.6256 176.5161 24 D 4.4725 8.9537 120.2092 57.9435 41.2771 179.2148 25 R 3.7491 7.7247 117.4547 58.8226 30.0498 178.6976 26 E 3.6706 7.7540 119.3485 59.1815 29.6937 178.8742 27 L 4.0158 8.7320 119.6876 57.6421 41.6108 179.3680 28 A 4.1597 8.1804 121.1600 54.9493 18.2165 179.8267 29 I 3.7325 7.6074 118.6275 64.3122 37.1059 178.6042 30 L 3.8439 8.0375 119.5992 57.7198 41.4312 179.3768 31 A 3.9496 8.3846 120.9988 55.4289 18.2658 179.6545 32 T 3.7538 7.8790 113.9753 66.7734 68.4980 176.5801 33 A 3.9213 8.0382 122.4723 55.2398 18.2079 179.2711 34 E 3.8348 8.2078 116.8073 59.3327 29.9226 178.5564 35 N 4.4421 8.3904 116.7283 56.3761 38.6801 177.3004 36 L 3.9666 8.0310 120.2839 57.8320 41.5987 179.4338 37 L 4.6528 7.8121 118.4023 56.3183 41.6174 178.5966 38 E 4.0829 7.9466 118.9883 58.2206 29.6454 176.6077 39 D 4.7528 8.4168 117.8620 54.9506 42.7399 176.1679 40 R 4.6469 7.3210 113.4706 53.7905 32.4379 172.4214 41 P 4.6515 0.0000 0.0000 62.1350 32.4021 176.9266 42 L 3.8159 8.7484 121.2942 58.3660 41.9706 179.0975 43 A 4.1159 8.0934 119.5144 55.0952 18.2330 177.5226 44 D 4.7806 8.0933 113.5137 54.0544 41.0014 176.0137 45 I 4.5634 8.0894 121.2217 59.3276 39.6307 175.9660 46 S 4.7036 8.9306 120.3896 56.6313 66.4851 175.6091 47 V 3.0319 7.9127 121.3317 65.7790 30.5117 177.6541 48 D 4.2297 7.8508 117.4818 57.2269 41.1651 177.4771 49 D 4.4388 7.7426 119.0099 57.6868 40.9770 178.9645 50 L 4.0169 7.7510 118.7946 57.6921 41.5757 179.5713 51 A 4.0397 8.2668 120.9101 55.2421 18.4316 179.6875 52 K 3.9872 9.3947 117.3955 59.7345 31.9424 179.8195 53 G 3.6458 8.5553 104.8768 47.2256 0.0000 174.6327 54 A 4.4730 7.7899 120.0650 51.0974 19.3399 177.1746 55 G 3.8053 8.0102 105.4785 46.4756 0.0000 173.4066 56 I 4.7237 7.6765 111.7475 57.8537 40.8312 175.1532 57 S 4.6169 8.3825 115.6995 57.2633 65.9210 174.7386 58 R 4.0893 8.4879 122.2691 59.2659 30.0632 176.9292 59 P 4.6516 0.0000 0.0000 66.2533 31.3150 178.4162 60 T 4.2831 8.0472 115.5091 66.0472 68.2848 176.4836 61 F 4.3019 8.2195 122.6417 61.5512 39.2843 176.4148 62 Y 5.2638 7.5499 112.8097 59.1763 37.6799 177.3005 63 F 4.6109 8.1463 121.8557 59.4562 39.7753 175.4601 64 Y 4.2176 8.2276 114.8854 58.3196 39.8645 176.0470 65 F 4.8659 7.2184 116.7293 54.9898 42.9527 173.6117 66 P 4.7184 0.0000 0.0000 65.0728 31.5769 175.7363 67 S 4.8769 7.7610 112.3298 56.2818 65.3337 176.2166 68 K 4.2162 8.4637 120.1960 60.0377 32.3216 179.0284 69 E 4.0149 8.2782 119.1806 59.1397 29.3875 178.8793 70 A 4.1749 7.8735 121.0760 54.7281 18.3587 179.9757 71 V 2.8418 7.2696 115.9015 65.8358 31.5436 177.9732 72 L 3.8821 7.7833 120.1338 57.9452 41.8200 178.5265 73 L 3.9823 7.9116 120.2552 58.7095 42.0592 179.1527 74 T 3.9548 7.9478 115.4857 66.5578 68.3513 176.6230 75 L 3.9481 8.0151 121.0001 57.7551 41.6985 179.3627 76 L 4.0006 8.3412 120.6740 58.2255 42.0856 178.4416 77 D 4.4537 8.5433 118.3870 57.3504 41.0725 178.5733 78 R 3.9033 7.9880 118.7469 59.0469 30.1234 179.1450 79 V 3.3203 7.6808 118.1198 65.7755 31.5113 178.2117 80 V 3.8724 8.2283 118.3799 66.3525 31.1624 177.8513 81 N 4.4340 7.7527 114.7941 56.0895 38.3807 176.9558 82 Q 4.0300 7.8082 120.3373 58.9942 29.3515 177.8721 83 A 3.8723 7.7824 121.7515 54.9088 18.2675 179.8445 84 D 4.8563 8.2468 113.0777 55.3099 41.2364 177.7484 *86 A 4.1630 7.9362 122.4165 51.6088 20.6100 179.6343 87 L 3.8833 7.9863 117.3224 58.2626 42.0691 178.9277 88 Q 3.8433 8.3473 119.8047 59.4132 28.8365 178.4914 89 T 3.8696 7.6733 116.3596 66.5400 68.3424 176.5349 90 L 3.9491 7.6754 119.6492 57.5487 41.6981 178.9203 91 A 4.2388 7.9199 119.9629 55.5233 18.4000 179.3283 92 E 4.2340 8.0220 115.5471 57.8913 30.7487 177.2327 93 N 5.0554 7.9105 116.5842 49.7785 39.8928 173.0611 94 P 4.2056 0.0000 0.0000 62.7035 31.3682 179.1346 95 A 5.0517 8.7393 135.0000 52.7717 20.3767 177.5864 96 D 4.4856 8.2468 124.1399 55.3134 39.0625 175.2942 97 T 4.3126 7.4979 117.3059 60.8465 70.2331 172.0358 98 D 4.7033 8.3505 123.8319 52.2445 40.3283 176.5344 99 R 4.0518 8.3429 115.5197 59.1215 29.9100 177.7940 100 E 4.2803 8.3858 119.3564 59.1895 29.9906 178.5380 101 N 4.4651 8.9604 118.5201 53.3344 38.5057 176.6745 *103 W 4.8200 8.1428 118.2452 56.4704 31.5753 177.9576 104 R 3.8815 8.2156 118.2368 59.6642 29.2273 178.7140 105 T 4.0331 8.0271 108.7472 64.6588 68.6749 176.4983 106 G 3.7882 7.9900 108.0546 47.7798 0.0000 175.6924 107 I 3.7313 8.0664 123.0743 63.9063 36.9715 178.0121 108 N 4.4829 8.7049 118.4259 56.5347 38.6823 176.9081 109 V 3.5029 7.5726 119.6044 66.1070 31.4969 178.0338 110 F 4.3419 8.2368 116.7778 60.2614 39.1183 177.4820 111 F 4.5823 8.5788 120.4902 61.3815 39.1283 176.8813 112 E 3.7841 8.8690 119.2695 59.3798 29.3208 178.7071 113 T 3.6716 7.6549 114.3359 66.8767 68.8707 176.4979 114 F 4.3070 8.4816 119.4909 59.9769 38.8251 178.0302 115 G 2.4396 7.5681 103.7680 46.1401 0.0000 174.8621 116 S 4.4241 6.9765 115.1179 58.2733 64.3263 174.1528 117 H 4.8661 7.7102 119.4661 53.4288 29.9581 174.9734 118 K 3.7643 7.9985 121.9345 59.5047 32.2582 178.8142 119 A 3.9550 7.8766 120.3507 55.3629 18.3862 179.7728 120 V 3.5528 7.7240 116.1653 66.2215 31.6570 178.2646 121 T 4.0457 8.0871 115.6446 66.6662 68.3430 176.7953 122 R 4.2681 8.4804 120.0750 59.4148 30.1935 178.8304 123 A 4.1263 8.3469 120.7416 55.3189 18.1506 179.8215 124 G 3.6077 8.2943 103.3172 47.9535 0.0000 175.4056 125 Q 3.8275 8.1811 121.6254 58.8831 28.8996 178.2139 126 A 4.0240 7.9941 119.9032 54.6657 18.6454 178.9583 127 A 4.1244 7.8935 119.4844 54.6629 18.1033 179.3749 128 R 3.8383 7.7946 117.2598 59.8854 29.7175 178.4592 129 A 3.8338 8.0322 119.3386 54.1659 18.5080 177.7810 130 T 4.4011 7.8810 104.0668 60.8966 69.9338 174.2667 131 S 4.5739 7.6320 116.9426 56.4419 64.5363 174.5595 132 V 3.7241 8.3720 123.7382 63.9803 31.3949 178.4292 133 E 3.9934 8.1501 118.4061 59.3784 29.3998 179.2221 134 V 3.6528 8.0279 117.9868 65.9266 31.6029 177.7164 135 A 4.0986 8.1819 120.5320 55.5669 18.2825 179.5790 136 E 3.9911 8.6328 117.3167 59.1640 29.3444 179.4304 137 L 4.0893 8.2027 120.5719 58.0256 42.0496 178.8499 138 W 4.2223 8.3247 126.9841 60.5072 30.7367 177.4792 139 S 4.2110 8.2422 112.1613 61.6923 62.2516 175.9448 140 T 3.9221 7.9930 118.3324 66.4046 68.1966 176.7064 141 F 3.6749 7.6481 119.1950 57.5004 39.2346 177.7384 *143 Q 4.1009 8.0983 119.1767 55.9240 31.0794 177.8848 144 K 3.8355 7.4663 117.8684 59.3755 32.1799 179.0242 145 W 4.7247 8.5358 119.6483 59.5660 28.9189 178.7896 146 I 3.8521 7.8663 119.5918 64.2027 36.7066 177.9516 147 A 4.0943 8.3818 121.9575 55.2897 18.1284 179.1331 148 Y 4.1385 8.2048 117.7626 61.2166 38.8933 178.1181 149 T 4.0686 8.2223 116.4561 66.7973 68.5293 176.4474 150 A 3.9557 8.3033 122.4367 54.9469 18.3164 179.5998 151 A 3.9190 7.9708 119.4317 55.2449 18.4362 180.0650 152 V 3.4190 7.7316 116.8684 66.1124 31.5001 178.2549 153 I 3.8325 8.1133 119.6942 64.5713 36.9576 178.1355 154 D 4.3266 8.5300 119.8139 57.3623 40.7266 178.7219 155 A 4.0493 8.4089 121.6782 55.1216 18.4870 179.2810 156 E 3.9894 8.6146 118.2774 59.5600 29.7512 179.3564 157 R 4.4280 8.2326 119.8353 58.7822 29.8982 178.5858 158 D 4.4385 8.3980 118.4898 57.3080 40.9977 178.4629 159 R 4.2718 7.7802 113.0944 56.5297 29.8326 177.3920 160 G 3.9226 8.0385 107.8930 45.7158 0.0000 174.5094 161 A 4.1976 7.9782 122.6751 53.7046 18.9624 178.1987 162 A 4.9462 7.7902 118.1256 49.4304 21.3732 174.0804 163 P 4.4970 0.0000 0.0000 62.5601 32.1578 177.2686 164 R 4.3094 8.3308 120.3619 55.6566 30.4106 176.5550 165 T 4.1137 8.4189 114.7492 61.5414 68.2181 177.9660 166 L 4.1954 8.8242 114.1182 53.0696 43.2691 175.4025 167 P 4.2597 0.0000 0.0000 62.5262 32.5052 177.1829 168 A 3.9049 8.7250 124.7200 55.9225 18.2961 179.3666 169 H 4.0051 8.1354 115.8637 59.3167 30.0868 177.2031 170 E 3.9790 8.0660 120.1490 58.9310 29.3873 178.8014 171 L 3.7498 7.8842 120.2812 58.0283 42.1597 178.8194 172 A 3.6380 8.0122 120.9642 55.2615 18.1753 179.7177 173 T 3.6868 7.7686 113.8584 66.7109 68.3506 176.6556 174 A 3.9206 7.3749 120.5411 55.1658 18.4703 179.3296 175 L 3.7558 7.2393 116.1533 57.8624 41.7590 179.2721 176 N 4.7948 8.0929 116.3956 56.1179 38.5258 178.5289 177 L 4.4376 8.1965 120.4830 54.8165 41.7223 179.1418 *179 N 4.7075 8.1612 117.6944 53.5107 40.7569 176.4366 180 E 4.0542 8.5076 118.3670 59.5334 29.6261 179.0363 181 R 3.9332 8.0599 118.4225 59.7347 30.2471 178.5700 182 T 3.8827 7.8533 115.0230 66.6271 68.4844 176.5570 183 L 3.6040 8.3131 121.2977 57.5124 41.5419 179.3264 184 F 3.9304 7.9761 120.2331 61.2398 39.2755 176.8508 185 A 4.0636 8.2793 120.3970 55.4992 18.0111 179.8727 186 S 4.0454 8.0053 113.4600 61.7990 62.6879 176.9907 187 F 4.5237 8.0044 119.5666 60.0394 38.7155 176.7382 188 A 4.2697 7.9523 118.1676 51.1576 18.9772 177.1602 189 G 3.8264 7.6734 105.1015 46.3515 0.0000 174.3256 190 E 4.1173 8.2515 118.5506 55.8509 30.1215 176.7940 191 Q 4.4172 8.3819 121.0795 53.8415 30.1092 173.2139 192 P 4.7403 0.0000 0.0000 61.8730 33.0903 174.8653 193 S 4.5232 7.7587 110.7669 57.7169 64.8375 175.3798 194 V 3.9796 8.2532 121.8388 61.0549 32.3737 174.1714 195 P 4.3771 0.0000 0.0000 62.6401 32.0837 176.6552 196 E 4.0184 9.1403 121.5938 59.6123 29.5357 178.3380 197 A 4.3950 8.0630 118.6850 53.4862 18.9488 178.0599 198 R 4.5685 8.4810 114.3095 55.6173 31.9439 178.1608 199 V 3.5924 7.3488 118.7028 64.5825 31.1947 178.0236 200 L 3.6658 7.4700 120.3661 57.9963 41.9393 178.4385 201 D 4.3595 7.9357 118.1409 57.6567 40.6509 178.9026 202 T 3.8431 7.7562 115.8233 66.7109 68.4428 176.7635 203 L 4.0958 8.0482 120.8875 57.7915 41.6008 179.6492 204 V 3.5408 8.1310 118.6604 66.2980 31.3966 177.5263 205 H 4.1650 8.3249 117.9004 59.3553 29.7548 177.3585 206 I 3.7480 7.7753 121.3542 64.0587 36.9512 178.4512 207 W 3.7618 8.7351 120.1611 59.6847 28.9314 178.6997 208 V 3.7242 8.2288 118.7267 66.3431 31.0063 178.1898 209 T 3.9434 8.0396 109.8591 64.7803 68.4170 176.6394 210 S 4.0987 7.7623 115.9303 60.6412 63.2215 176.1340 211 I 3.6170 7.3595 122.9211 63.3238 37.0772 176.2823 212 Y 4.4854 7.6310 114.4722 57.7120 38.7812 176.3455 213 G 3.7438 7.9638 110.3062 45.3257 0.0000 173.7131 214 E 4.0684 8.7748 124.5812 58.5343 30.2387 175.8674 215 N 4.0880 7.8421 120.6486 54.2858 39.0190 173.6060 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 22 G 8.21 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 0.00 0.00 0.00 0.00 23 D 8.27 4.10 0.00 2.76 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 24 D 8.95 4.47 0.00 2.71 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 25 R 7.72 3.75 0.00 1.44 1.47 0.00 3.13 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 26 E 7.75 3.67 0.00 1.94 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 2.41 2.35 0.00 27 L 8.73 4.02 0.00 1.82 1.67 0.90 0.16 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 28 A 8.18 4.16 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 29 I 7.61 3.73 2.13 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.86 0.82 0.00 0.00 30 L 8.04 3.84 0.00 1.86 1.68 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.38 3.95 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 32 T 7.88 3.75 4.41 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 1.20 0.00 0.00 33 A 8.04 3.92 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 34 E 8.21 3.83 0.00 1.92 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 35 N 8.39 4.44 0.00 2.96 2.82 0.00 0.00 7.01 7.58 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 36 L 8.03 3.97 0.00 1.65 1.69 0.89 0.53 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 37 L 7.81 4.65 0.00 1.80 1.73 0.90 1.00 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 38 E 7.95 4.08 0.00 1.99 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 2.29 2.36 0.00 39 D 8.42 4.75 0.00 2.62 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 40 R 7.32 4.65 0.00 1.89 1.97 0.00 3.11 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 41 P 0.00 4.65 0.00 2.24 2.22 0.00 3.71 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 2.07 1.95 0.00 42 L 8.75 3.82 0.00 1.74 1.73 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.09 4.12 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 44 D 8.09 4.78 0.00 2.79 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 45 I 8.09 4.56 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.76 0.86 0.00 0.00 46 S 8.93 4.70 0.00 3.94 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 47 V 7.91 3.03 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 -0.45 0.00 0.00 0.58 0.00 0.00 48 D 7.85 4.23 0.00 2.79 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 49 D 7.74 4.44 0.00 2.89 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 50 L 7.75 4.02 0.00 1.71 1.81 0.83 1.03 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 51 A 8.27 4.04 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 52 K 9.39 3.99 0.00 1.89 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.47 7.81 53 G 8.56 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 54 A 7.79 4.47 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 55 G 8.01 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 0.00 0.00 0.00 56 I 7.68 4.72 2.01 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.91 0.97 0.00 0.00 57 S 8.38 4.62 0.00 4.11 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 58 R 8.49 4.09 0.00 1.94 2.06 0.00 3.20 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.67 0.00 59 P 0.00 4.65 0.00 2.36 2.38 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 60 T 8.05 4.28 4.60 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 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0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 105 T 8.03 4.03 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 1.32 0.00 0.00 106 G 7.99 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.07 3.73 1.72 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.07 0.77 0.00 0.00 108 N 8.70 4.48 0.00 2.92 3.02 0.00 0.00 6.80 7.33 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 0.00 109 V 7.57 3.50 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 0.37 0.00 0.00 0.88 0.00 0.00 110 F 8.24 4.34 0.00 3.37 3.20 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 0.00 111 F 8.58 4.58 0.00 3.18 3.30 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 0.00 112 E 8.87 3.78 0.00 2.41 1.92 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 1.62 0.00 0.00 0.00 0.00 0.00 0.00 138 W 8.32 4.22 0.00 3.51 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 0.00 139 S 8.24 4.21 0.00 4.04 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 0.00 140 T 7.99 3.92 4.38 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 0.88 0.00 0.00 141 F 7.65 3.67 0.00 2.19 1.45 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 *143 Q 8.10 4.10 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.56 0.00 144 K 7.47 3.84 0.00 1.55 1.35 0.00 1.33 0.00 0.00 1.49 0.00 0.00 2.62 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.40 1.35 7.81 145 W 8.54 4.72 0.00 3.46 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 0.00 146 I 7.87 3.85 2.01 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 1.57 0.72 0.72 0.00 0.00 147 A 8.38 4.09 1.46 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 0.00 0.00 0.00 148 Y 8.20 4.14 0.00 3.29 3.37 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 0.00 149 T 8.22 4.07 4.49 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 1.31 0.00 0.00 150 A 8.30 3.96 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 0.00 151 A 7.97 3.92 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 0.00 152 V 7.73 3.42 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.29 0.00 0.00 153 I 8.11 3.83 2.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.93 0.81 0.00 0.00 154 D 8.53 4.33 0.00 2.92 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 0.00 155 A 8.41 4.05 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 0.00 156 E 8.61 3.99 0.00 2.40 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 2.62 2.69 0.00 157 R 8.23 4.43 0.00 2.03 1.96 0.00 3.17 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 158 D 8.40 4.44 0.00 2.80 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 R 7.78 4.27 0.00 2.03 2.07 0.00 3.13 0.00 0.00 3.28 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.74 0.00 160 G 8.04 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 A 7.98 4.20 1.50 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 0.00 0.00 162 A 7.79 4.95 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 0.00 163 P 0.00 4.50 0.00 2.21 2.15 0.00 3.92 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.18 0.00 164 R 8.33 4.31 0.00 1.81 1.93 0.00 3.17 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 165 T 8.42 4.11 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 1.23 0.00 0.00 166 L 8.82 4.20 0.00 1.57 1.57 0.82 0.94 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 0.00 167 P 0.00 4.26 0.00 2.12 1.96 0.00 3.58 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 168 A 8.73 3.90 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 0.00 169 H 8.14 4.01 0.00 3.19 3.28 0.00 5.67 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 0.00 170 E 8.07 3.98 0.00 2.00 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 2.39 2.36 0.00 171 L 7.88 3.75 0.00 1.61 1.66 0.65 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 172 A 8.01 3.64 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 T 7.77 3.69 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 1.18 0.00 0.00 174 A 7.37 3.92 1.22 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 0.00 0.00 175 L 7.24 3.76 0.00 0.79 0.13 -0.19 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 176 N 8.09 4.79 0.00 3.00 2.95 0.00 0.00 7.07 6.32 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 0.00 177 L 8.20 4.44 0.00 1.81 1.71 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 *179 N 8.16 4.71 0.00 3.13 2.95 0.00 0.00 6.62 7.66 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 0.00 180 E 8.51 4.05 0.00 2.31 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 2.42 2.77 0.00 181 R 8.06 3.93 0.00 2.02 1.94 0.00 3.20 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 182 T 7.85 3.88 4.27 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 0.00 0.00 0.00 1.21 0.00 0.00 183 L 8.31 3.60 0.00 1.66 1.24 1.05 0.96 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 0.00 184 F 7.98 3.93 0.00 3.23 3.20 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 0.00 185 A 8.28 4.06 1.45 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 0.00 0.00 186 S 8.01 4.05 0.00 3.78 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 F 8.00 4.52 0.00 2.87 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 0.00 188 A 7.95 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 G 7.67 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 0.00 190 E 8.25 4.12 0.00 2.00 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 2.41 2.29 0.00 191 Q 8.38 4.42 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 192 P 0.00 4.74 0.00 2.22 2.04 0.00 3.87 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 1.96 1.95 0.00 193 S 7.76 4.52 0.00 3.93 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 0.00 194 V 8.25 3.98 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 0.87 0.00 0.00 0.93 0.00 0.00 195 P 0.00 4.38 0.00 2.28 2.19 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 2.08 1.97 0.00 196 E 9.14 4.02 0.00 2.17 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 2.73 2.77 0.00 197 A 8.06 4.39 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 0.00 198 R 8.48 4.57 0.00 1.87 1.91 0.00 3.29 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 199 V 7.35 3.59 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.89 0.00 0.00 200 L 7.47 3.67 0.00 1.14 1.42 0.68 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 201 D 7.94 4.36 0.00 2.85 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 0.00 202 T 7.76 3.84 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 1.22 0.00 0.00 203 L 8.05 4.10 0.00 1.72 1.67 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 204 V 8.13 3.54 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.88 0.00 0.00 205 H 8.32 4.16 0.00 3.28 3.52 0.00 5.64 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 0.00 206 I 7.78 3.75 2.14 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 1.94 1.11 0.90 0.00 0.00 207 W 8.74 3.76 0.00 3.34 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 0.00 208 V 8.23 3.72 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 1.16 0.00 0.00 1.12 0.00 0.00 209 T 8.04 3.94 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 1.02 0.00 0.00 210 S 7.76 4.10 0.00 3.91 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 0.00 211 I 7.36 3.62 1.32 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.09 0.05 0.00 0.00 212 Y 7.63 4.49 0.00 3.07 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 0.00 213 G 7.96 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 0.00 0.00 0.00 214 E 8.77 4.07 0.00 1.94 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 2.29 2.35 0.00 215 N 7.84 4.09 0.00 2.63 2.58 0.00 0.00 6.81 7.56 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 * Residues marked with a * may have inaccurate shift predictions.