NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.2321 7.8833 114.2829 60.2517 39.7795 177.1239 4 E 3.9819 8.0827 122.7171 58.4845 29.2158 177.3854 5 K 3.8944 8.1397 119.6507 59.2968 32.6223 177.9426 6 L 3.9269 7.8460 118.7862 58.2178 42.2217 178.6470 7 K 4.0523 8.5377 118.2007 59.6432 31.8784 179.2813 8 A 4.0231 8.3476 119.3886 54.9761 18.3022 179.1555 9 A 4.0775 7.9934 118.3154 53.4297 18.7550 178.0650 10 L 3.9497 7.2702 118.6268 53.7415 42.4225 175.5109 11 P 4.3251 0.0000 0.0000 62.1429 32.3415 177.1436 12 E 3.8992 8.4227 118.1667 59.5956 29.4019 178.6041 13 Y 4.4474 7.4826 113.2674 57.9325 38.3393 175.5333 14 A 4.7983 7.5386 123.8992 51.6765 19.8756 178.6382 15 K 3.8503 8.0055 121.5132 61.5371 31.9951 178.6230 16 D 4.3625 8.0909 118.3116 57.4649 40.7906 178.7565 17 I 3.6774 7.6266 119.7455 64.0981 37.0827 178.0857 18 K 3.8223 7.9207 120.2570 59.5728 32.1950 178.5138 19 L 3.9580 8.1342 119.4387 58.2438 41.6216 179.5443 20 N 4.3651 8.5334 116.4884 56.0434 38.2930 177.2542 21 L 3.9094 8.3677 122.2386 58.1139 41.8617 179.1725 22 S 4.1608 8.2357 115.4203 61.7379 62.7590 176.9603 23 S 4.1514 7.9048 116.4175 61.4811 62.5844 176.2911 24 I 3.5907 7.5887 121.3536 63.7130 37.7889 177.1779 25 T 3.9350 7.4912 112.2989 63.4367 67.2861 175.7863 26 R 4.2965 7.0724 118.7211 57.9449 31.3290 176.5905 27 S 4.1415 7.2376 111.8794 58.4277 63.0653 173.8379 28 S 4.7850 8.3539 118.3465 57.9470 63.3848 175.2193 29 V 3.7078 7.8715 123.1715 65.5370 31.3686 176.1023 30 L 4.8160 7.5688 117.6550 52.5134 44.4125 176.1100 31 D 4.7746 8.2874 121.1431 52.6570 41.9423 177.2295 32 Q 4.2793 8.7687 118.4250 59.5800 28.5990 179.2641 33 E 4.2176 8.4231 119.5571 59.3124 29.7017 178.7313 34 Q 4.3389 9.0773 118.7418 58.8550 28.8424 178.4169 35 L 3.8852 8.6929 121.6535 58.0895 42.2708 178.9213 36 W 4.0586 8.7672 118.7160 58.6923 29.0736 178.9541 37 G 2.7058 8.1965 106.3941 47.5062 0.0000 176.0980 38 T 3.9494 7.7017 117.8812 66.3844 68.4484 176.9847 39 L 3.8497 7.6290 120.9808 57.3611 41.5140 179.3197 40 L 3.8888 7.7694 120.2032 58.0067 42.0377 178.8364 41 A 3.8847 7.8048 120.7723 55.0271 18.2750 179.8924 42 S 3.9492 7.9371 113.2899 61.7067 62.7610 176.4910 43 A 3.9454 7.7906 121.7776 55.2808 18.4365 179.2245 44 A 4.0354 8.1466 118.8447 55.3299 18.2872 179.7980 45 A 4.0239 7.9017 118.1631 55.0922 18.4476 179.5306 46 T 3.9580 7.7955 107.5755 62.6255 68.9810 175.7019 47 R 3.8057 7.3982 118.2356 57.0008 28.5178 175.5505 48 N 4.6547 7.8483 117.3716 52.0008 39.8575 173.6890 49 P 4.2149 0.0000 0.0000 65.7930 31.6164 178.3404 50 Q 3.9549 8.0358 117.8242 59.1482 28.9082 178.4344 51 V 3.5684 7.6670 118.7396 65.9031 31.7377 177.5945 52 L 3.9068 7.8868 119.8242 58.1142 41.7867 178.7857 53 A 4.0682 8.3937 121.1563 55.1998 18.3570 179.4532 54 D 4.3175 8.2701 117.4146 57.6589 40.9265 179.1195 55 I 4.1191 8.1814 120.6956 64.1573 36.8818 178.6803 56 G 3.6405 8.5054 106.1797 47.6128 0.0000 175.3309 57 A 4.1243 7.7820 123.2108 55.0768 17.9645 179.4631 58 E 3.8345 8.1143 117.1070 59.1071 29.7326 178.5615 59 A 3.8250 8.4710 120.9233 54.2348 18.2376 179.3640 60 T 3.9410 7.3277 106.3768 63.9239 68.8174 175.4069 61 D 4.7113 7.0791 119.4798 54.2662 41.1907 176.5361 62 H 4.7253 7.6750 115.5059 54.8182 31.3211 173.2974 63 L 4.9224 7.7677 117.9138 52.2463 44.9623 176.8640 64 S 4.5475 8.3472 115.6161 57.5311 65.8973 175.1207 65 A 4.0839 8.5558 123.4263 54.4020 18.0267 179.3781 66 A 4.2884 7.8975 118.6790 54.3225 19.4687 179.2950 67 A 4.3195 8.1803 119.3791 55.2129 18.4449 179.8233 68 R 3.6860 8.1798 117.2951 59.9095 30.2368 178.1942 69 H 4.0955 7.9324 116.5479 59.3334 29.8439 177.0739 70 A 4.3758 8.5681 122.4277 54.9281 18.2373 179.5433 71 A 3.7763 8.3172 119.8242 55.4184 18.4863 180.0019 72 L 4.0681 8.1787 117.7663 57.7031 41.6184 179.9921 73 G 3.7486 8.2146 105.6048 47.4464 0.0000 175.7557 74 A 3.9572 8.0627 122.3264 54.7832 18.3645 179.3092 75 A 4.0379 7.6758 118.1174 55.1398 18.5535 179.4693 76 A 4.1733 7.7269 118.2141 55.0659 18.6285 181.3820 77 I 4.0729 7.7119 109.8464 61.1783 37.8306 177.0295 *79 G 3.7727 7.8995 106.9651 46.6004 0.0000 173.9095 *81 N 4.9583 7.9382 118.3346 53.3063 40.4291 176.3226 82 N 4.4896 8.2376 113.6101 55.1393 38.8865 176.9314 83 V 3.8760 7.6058 119.6803 65.3066 32.0445 177.2322 84 F 3.9164 8.0058 119.7281 61.7326 39.2432 176.6033 85 Y 3.6737 8.1047 116.2846 60.6010 37.3571 178.5325 86 R 3.5765 7.7865 118.8616 59.0361 30.5085 178.4111 87 G 3.4651 7.7004 105.3830 47.8107 0.0000 175.6119 88 R 3.7800 7.5836 122.1331 58.8861 29.7079 178.8086 89 G 3.5397 7.8273 104.7802 47.3829 0.0000 175.0747 90 F 4.8445 7.6125 118.1325 58.6360 39.8081 176.1375 91 L 4.5649 7.8612 120.1841 56.0305 41.7005 176.3414 92 E 3.9280 9.4151 111.8875 57.3522 27.5982 176.5132 93 G 4.0070 8.3779 103.5975 46.2752 0.0000 176.4496 94 R 3.8637 8.3434 119.1076 58.2005 30.1593 177.0250 95 Y 4.5326 7.7927 113.9042 57.5906 38.5791 177.0627 96 D 4.5099 8.0693 122.5498 56.6956 40.9706 177.3938 97 D 4.7586 7.9707 116.1817 53.1342 40.1820 176.3167 98 L 4.4199 7.4338 120.2295 53.8241 42.8184 176.2162 99 R 4.2906 8.3875 122.3066 54.7157 29.6682 174.4059 100 P 4.1216 0.0000 0.0000 64.1888 31.1456 177.4751 101 G 4.0001 8.0317 104.4531 46.0419 0.0000 172.5576 102 L 4.4763 6.9821 120.0295 52.1943 43.0566 176.5714 103 R 4.2232 8.4175 124.8762 56.3240 31.0032 176.5003 104 M 4.9086 8.2195 123.2651 52.7983 31.4608 176.4845 105 N 4.2932 8.5757 119.0253 57.7266 38.2177 176.1077 106 I 3.5935 7.8474 119.4835 64.1967 37.7055 177.7160 107 I 3.3932 7.6169 119.7106 63.6965 36.9281 177.4796 108 A 4.3010 7.7618 119.9052 52.7984 20.6454 177.4234 109 N 4.8908 7.6582 113.9972 51.5587 38.2092 173.1453 110 P 4.1711 0.0000 0.0000 63.9998 32.1749 178.3572 111 G 4.0979 9.3264 105.4827 44.8342 0.0000 172.1248 112 I 4.4615 7.1246 111.5844 58.4681 40.5184 172.1799 113 P 4.2351 0.0000 0.0000 62.9414 31.3008 177.1326 114 K 3.8091 8.9798 122.7983 59.6309 31.9530 178.6291 115 A 3.9210 7.9640 120.3236 55.3470 18.1330 179.3299 116 N 3.6993 7.9026 114.7763 55.9169 38.4284 177.3814 117 F 3.7552 7.6428 121.4832 61.3228 39.4821 176.7788 118 E 3.9207 8.2580 118.1035 59.3228 29.2199 179.1996 119 L 3.8773 7.3727 119.8020 57.9898 42.0980 179.1397 120 W 4.4164 7.8953 119.1639 59.7364 28.9978 178.5095 121 S 3.9146 8.2649 113.6341 60.9425 61.5977 176.1356 122 F 4.0951 8.1207 123.3468 61.1052 39.1210 176.8039 123 A 3.8261 8.1462 120.4183 55.4147 18.2568 179.7848 124 V 3.5149 7.9469 116.6093 66.2985 31.5294 178.4182 125 S 4.1328 8.0146 114.4571 61.1718 62.7005 176.4999 126 A 3.8780 7.5390 123.5380 54.9400 17.8690 179.7415 127 I 3.6886 7.2294 117.3137 64.4898 37.3082 177.9501 128 N 4.5623 8.1742 115.2437 53.2040 39.3844 174.7809 129 G 3.5240 7.6305 106.6461 46.7919 0.0000 174.6927 130 C 4.6016 7.8989 119.9789 57.0190 32.5156 174.0590 131 S 4.1283 8.5768 123.9736 61.5268 62.4892 175.4720 132 H 4.0039 8.2230 121.3945 59.4511 29.5965 176.8759 133 C 4.1331 8.0542 117.8367 62.4399 28.0164 175.4192 134 L 3.9988 8.1122 122.0575 58.4864 41.7274 179.3786 135 V 3.6766 8.2330 112.2838 64.4563 31.4994 178.5222 136 A 3.9658 7.6885 120.2236 55.4810 18.1942 179.4903 137 H 4.2096 8.2459 114.7023 58.8473 28.8940 177.3809 138 E 3.7260 8.6428 121.4955 59.8061 29.4629 178.4276 139 H 4.1426 8.3516 117.8977 59.7065 29.8109 177.3312 140 T 3.8603 8.0682 117.4940 66.4818 68.1822 176.4645 141 L 3.8742 8.2190 121.4852 57.7583 41.6881 179.3799 142 R 4.0257 7.8376 117.4891 59.8347 29.8924 179.0225 143 T 3.8087 7.3932 113.8516 66.8827 68.6412 176.4186 144 V 3.9285 7.1869 109.7794 61.8569 31.4952 176.9960 145 G 3.8901 8.1680 107.8132 45.2174 0.0000 173.9075 146 V 3.7094 7.3653 119.3702 61.8817 32.2475 176.2925 147 D 4.5245 8.4457 125.7446 54.1579 43.2758 177.2487 148 R 4.1023 8.4045 120.3605 58.4174 29.7764 178.4821 149 E 4.1422 8.2925 119.3545 58.8348 29.7845 178.6259 150 A 3.9949 7.7554 120.4081 55.1857 18.5386 179.5773 151 I 3.3915 7.6306 118.2967 64.5430 37.3249 178.4958 152 F 4.3189 8.3515 121.3926 61.3212 39.0221 176.7776 153 E 3.8937 8.4265 118.9461 59.0555 29.3549 178.6145 154 A 4.0107 7.9890 120.5754 54.9526 18.4153 179.3972 155 L 3.8987 7.9832 118.6527 58.1549 42.1310 179.3403 156 K 3.7396 7.6918 117.8838 59.2478 31.9877 179.0673 157 A 3.8426 8.1153 120.8936 55.0819 18.4070 179.3071 158 A 4.1687 8.4390 120.6191 54.7926 18.4293 179.7889 159 A 3.9100 8.0359 119.0720 55.1308 18.3845 179.8994 160 I 3.5501 7.8503 118.4536 64.6847 37.1713 178.8808 161 V 3.5605 7.7951 118.8642 65.9699 31.2426 178.2222 162 S 4.1910 7.9664 115.0629 61.5038 62.5785 176.9019 163 G 3.5905 8.0193 108.5039 47.5247 0.0000 175.9371 164 V 3.5392 7.9500 120.4002 65.7465 31.4951 177.8781 165 A 3.9552 8.2344 120.7838 55.2263 18.3519 179.3447 166 Q 3.8626 8.1186 117.6878 59.3234 29.0424 178.2912 167 A 4.0883 8.2288 121.9629 55.3398 18.3413 179.6605 168 L 3.9545 8.2269 117.3231 57.5544 41.7447 179.3242 169 A 4.0124 8.2574 121.3141 55.5940 18.2327 179.8810 170 T 3.9561 7.9350 107.9976 64.6760 68.6570 176.8295 171 I 3.9143 7.4415 115.4493 63.3470 38.2162 177.5200 172 E 4.0254 8.5522 121.2639 59.3015 29.3365 178.7191 173 A 4.0898 7.9290 119.2346 54.4758 18.4262 178.5424 174 L 4.5380 7.2403 114.8106 54.7179 42.0730 177.4194 175 S 4.4508 7.8213 120.2061 58.8119 63.3242 173.7205 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 I 7.88 4.23 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.92 1.12 0.00 0.00 4 E 8.08 3.98 0.00 2.09 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 2.42 2.38 0.00 5 K 8.14 3.89 0.00 1.87 1.80 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.55 7.81 6 L 7.85 3.93 0.00 1.79 1.93 0.98 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.54 4.05 0.00 1.96 1.83 0.00 1.74 0.00 0.00 1.95 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.68 7.81 8 A 8.35 4.02 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 9 A 7.99 4.08 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 10 L 7.27 3.95 0.00 1.71 1.53 0.89 1.05 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 11 P 0.00 4.33 0.00 1.02 1.79 0.00 3.50 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.37 0.00 12 E 8.42 3.90 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 13 Y 7.48 4.45 0.00 3.01 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 14 A 7.54 4.80 1.18 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 0.00 0.00 15 K 8.01 3.85 0.00 1.81 1.89 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.70 7.81 16 D 8.09 4.36 0.00 2.69 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 17 I 7.63 3.68 1.98 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 1.53 0.80 0.90 0.00 0.00 18 K 7.92 3.82 0.00 1.81 1.98 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.47 7.81 19 L 8.13 3.96 0.00 2.02 1.71 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.53 4.37 0.00 2.82 2.83 0.00 0.00 6.71 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 21 L 8.37 3.91 0.00 1.78 1.80 0.85 1.03 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 22 S 8.24 4.16 0.00 4.09 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 23 S 7.90 4.15 0.00 4.08 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 24 I 7.59 3.59 1.89 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 1.29 0.55 0.81 0.00 0.00 25 T 7.49 3.93 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 1.30 0.00 0.00 26 R 7.07 4.30 0.00 1.87 1.98 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 27 S 7.24 4.14 0.00 3.82 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 28 S 8.35 4.79 0.00 4.00 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 29 V 7.87 3.71 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 0.87 0.00 0.00 1.01 0.00 0.00 30 L 7.57 4.82 0.00 1.67 1.59 0.95 1.10 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 31 D 8.29 4.77 0.00 3.02 2.86 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 32 Q 8.77 4.28 0.00 2.21 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.95 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 33 E 8.42 4.22 0.00 2.20 2.22 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 2.86 2.64 0.00 34 Q 9.08 4.34 0.00 2.44 2.23 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 2.38 2.66 0.00 35 L 8.69 3.89 0.00 1.90 1.66 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.77 4.06 0.00 3.63 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.20 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 0.00 0.00 0.00 38 T 7.70 3.95 4.45 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 1.24 0.00 0.00 39 L 7.63 3.85 0.00 1.32 1.38 -0.52 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.77 3.89 0.00 1.83 1.52 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.80 3.88 1.29 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 42 S 7.94 3.95 0.00 4.04 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 43 A 7.79 3.95 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 44 A 8.15 4.04 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 45 A 7.90 4.02 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 46 T 7.80 3.96 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 1.22 0.00 0.00 47 R 7.40 3.81 0.00 2.02 2.07 0.00 3.15 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 48 N 7.85 4.65 0.00 2.82 2.68 0.00 0.00 7.22 7.16 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 49 P 0.00 4.21 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 50 Q 8.04 3.95 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 51 V 7.67 3.57 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 1.03 0.00 0.00 0.92 0.00 0.00 52 L 7.89 3.91 0.00 1.96 1.75 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.39 4.07 1.39 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 0.00 0.00 54 D 8.27 4.32 0.00 2.87 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 55 I 8.18 4.12 2.02 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 1.55 0.80 1.02 0.00 0.00 56 G 8.51 3.64 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 0.00 0.00 0.00 57 A 7.78 4.12 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 58 E 8.11 3.83 0.00 2.14 2.20 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 2.39 1.59 0.00 59 A 8.47 3.82 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.33 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 1.26 0.00 0.00 61 D 7.08 4.71 0.00 2.36 2.46 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 62 H 7.67 4.73 0.00 2.73 3.00 0.00 5.64 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.77 4.92 0.00 1.61 1.57 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.35 4.55 0.00 4.08 4.03 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 65 A 8.56 4.08 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 66 A 7.90 4.29 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 67 A 8.18 4.32 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 68 R 8.18 3.69 0.00 1.89 2.02 0.00 3.11 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 69 H 7.93 4.10 0.00 3.48 3.52 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.57 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.32 3.78 0.66 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 0.00 0.00 72 L 8.18 4.07 0.00 1.67 1.71 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.21 3.75 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 0.00 0.00 0.00 74 A 8.06 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.68 4.04 1.36 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 1.99 1.69 0.00 111 G 9.33 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.12 4.46 1.96 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 1.62 0.50 1.11 0.00 0.00 113 P 0.00 4.24 0.00 2.19 2.23 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 114 K 8.98 3.81 0.00 1.79 1.92 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.48 7.81 115 A 7.96 3.92 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 0.00 116 N 7.90 3.70 0.00 2.33 1.42 0.00 0.00 6.65 8.14 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 0.00 117 F 7.64 3.76 0.00 3.04 3.12 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 0.00 118 E 8.26 3.92 0.00 2.14 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 2.56 2.49 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0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.79 0.88 0.00 0.00 128 N 8.17 4.56 0.00 2.69 2.86 0.00 0.00 7.12 7.11 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 0.00 129 G 7.63 3.52 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 0.00 130 C 7.90 4.60 0.00 3.07 2.91 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 0.00 131 S 8.58 4.13 0.00 4.12 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 0.00 0.00 0.00 0.00 132 H 8.22 4.00 0.00 3.18 3.29 0.00 5.67 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 0.00 133 C 8.05 4.13 0.00 3.13 3.06 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 0.00 134 L 8.11 4.00 0.00 1.80 1.79 0.25 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.23 3.68 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 0.85 0.00 0.00 0.95 0.00 0.00 136 A 7.69 3.97 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 0.00 137 H 8.25 4.21 0.00 3.58 3.47 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.64 3.73 0.00 2.33 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 0.00 2.22 2.58 0.00 139 H 8.35 4.14 0.00 3.22 3.44 0.00 5.64 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 0.00 140 T 8.07 3.86 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 1.28 0.00 0.00 141 L 8.22 3.87 0.00 1.83 1.57 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 142 R 7.84 4.03 0.00 1.78 1.95 0.00 3.42 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 143 T 7.39 3.81 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 1.16 0.00 0.00 144 V 7.19 3.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.00 0.00 0.00 145 G 8.17 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 7.37 3.71 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 0.67 0.00 0.00 0.85 0.00 0.00 147 D 8.45 4.52 0.00 2.73 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 0.00 148 R 8.40 4.10 0.00 2.04 2.13 0.00 2.97 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 149 E 8.29 4.14 0.00 2.23 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 2.32 2.38 0.00 150 A 7.76 3.99 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 0.00 151 I 7.63 3.39 1.75 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.28 0.23 0.00 0.00 152 F 8.35 4.32 0.00 3.20 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 0.00 153 E 8.43 3.89 0.00 2.40 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 2.31 2.35 0.00 154 A 7.99 4.01 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.98 3.90 0.00 2.03 1.82 0.80 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 156 K 7.69 3.74 0.00 1.86 1.70 0.00 1.60 0.00 0.00 1.32 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 0.85 7.81 157 A 8.12 3.84 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.44 4.17 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 0.00 159 A 8.04 3.91 1.29 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 0.00 160 I 7.85 3.55 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.84 0.85 0.00 0.00 161 V 7.80 3.56 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 1.06 0.00 0.00 0.83 0.00 0.00 162 S 7.97 4.19 0.00 4.11 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 0.00 163 G 8.02 3.59 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 0.00 0.00 0.00 0.00 164 V 7.95 3.54 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 1.05 0.00 0.00 0.93 0.00 0.00 165 A 8.23 3.96 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 0.00 166 Q 8.12 3.86 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 167 A 8.23 4.09 1.39 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 0.00 0.00 168 L 8.23 3.95 0.00 1.91 1.72 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 169 A 8.26 4.01 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 0.00 170 T 7.93 3.96 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 1.30 0.00 0.00 171 I 7.44 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 1.38 0.68 0.99 0.00 0.00 172 E 8.55 4.03 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 173 A 7.93 4.09 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 0.00 174 L 7.24 4.54 0.00 1.68 1.72 0.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 175 S 7.82 4.45 0.00 4.06 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 * Residues marked with a * may have inaccurate shift predictions.