NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.6523 8.3644 120.3277 52.7671 41.4999 175.2807 7 Y 4.0173 7.8672 121.6192 56.0313 39.4715 172.5762 8 Y 4.4742 6.8800 123.1504 55.8024 41.7747 173.9440 9 D 4.1615 8.6640 122.3448 56.8355 41.5360 176.5287 10 Y 4.8740 7.8604 114.8985 55.8792 41.9528 174.0692 11 L 4.7066 8.7677 124.7107 53.3334 44.3304 175.2709 12 F 5.2303 9.1305 126.2101 55.6407 41.3890 174.8122 13 K 4.8845 8.8097 126.4754 56.1815 33.4458 175.4112 14 I 5.1883 9.2237 128.4610 59.6226 40.6418 174.7879 15 V 4.7168 8.4623 119.5807 59.5405 34.3293 174.6610 16 L 5.1016 8.7960 125.5698 53.6948 42.7463 176.1829 17 I 4.3208 9.6215 116.5377 58.5508 41.5011 174.9081 18 G 3.9054 6.8802 110.0243 43.7132 0.0000 172.1975 19 D 4.8570 8.1764 119.6235 53.9251 41.4153 176.4605 20 S 4.2207 8.5027 116.2557 60.0508 62.8006 174.6951 21 G 4.0265 8.9641 114.7147 45.5295 0.0000 174.4602 22 V 3.8040 7.0370 112.3793 62.0467 32.1170 176.9479 23 G 4.2881 8.4112 109.2977 45.6529 0.0000 175.9266 24 K 4.0340 8.4227 122.4046 59.1714 31.9264 179.2796 25 S 4.1767 7.9908 114.1490 61.4158 62.9575 176.0011 26 N 4.4066 7.9476 120.6304 54.7302 38.4266 177.3614 27 L 4.1322 8.0052 120.9210 57.6389 41.7759 178.9491 28 L 4.0039 8.0071 120.4880 58.3680 41.5410 179.1694 29 S 4.0990 8.2749 114.2388 61.3807 62.9315 176.4024 30 R 4.0229 8.4187 122.5977 59.1184 29.6959 178.3335 31 F 4.2750 8.1191 119.2572 61.6025 39.4993 176.8623 32 T 3.8898 7.7078 107.9099 63.4247 68.8796 175.6327 33 R 4.4285 7.4302 114.0931 54.7668 31.0280 174.0561 34 D 4.4940 7.8573 115.5698 55.9602 40.1798 172.8890 35 E 4.8903 8.0685 113.8380 54.2495 33.0433 175.5206 36 F 4.7515 8.4736 121.6441 56.5694 42.4360 173.4391 37 N 4.4664 9.4540 129.9021 52.3039 39.1692 175.0654 *38 L 4.2196 8.3123 122.5787 54.0738 43.0038 173.2656 *45 G 4.1741 8.1837 106.3613 45.5613 0.0000 173.8164 46 V 5.3695 7.8521 118.4242 61.0166 34.7047 174.7013 47 E 5.0144 9.4596 124.0166 54.8873 33.3230 173.8163 48 F 5.1587 8.1310 114.3894 55.2216 41.3919 173.2369 49 A 4.5284 8.6789 120.2289 50.7743 22.9744 175.0721 50 T 5.5724 8.1079 108.0251 59.0829 72.1256 173.2835 51 K 4.4981 8.2834 122.4856 55.3290 35.8665 174.3858 52 S 5.4020 8.5537 122.1879 56.7293 65.3751 173.4588 53 I 4.6198 8.3936 116.4955 59.0875 40.9664 173.9719 54 Q 4.6769 8.6257 125.9410 55.4598 29.2627 175.0338 55 L 3.9962 9.0685 127.9353 57.5272 42.0933 178.1356 *58 N 4.6875 7.8810 112.1804 52.3390 40.4744 174.9919 59 K 4.3134 7.8680 118.8388 56.6978 32.8973 175.5972 60 I 4.9040 9.1102 123.8299 59.8023 39.5514 174.5976 61 I 4.4766 8.3791 128.8759 59.8577 39.1324 174.8788 62 K 4.4606 9.1442 129.2847 54.8020 33.6351 175.0335 63 A 4.8396 8.7517 131.0372 51.3729 20.0835 175.7054 64 Q 4.7230 9.0302 125.3665 55.0003 30.7478 174.0916 65 I 5.0665 8.8903 128.7401 59.4535 39.5750 175.0719 66 W 5.3090 9.4054 127.1578 55.1681 32.0926 174.5448 67 D 5.3796 9.4006 121.7158 53.0180 44.6861 174.0258 68 T 5.2972 8.4759 112.1532 60.0635 71.4594 173.4898 69 A 3.9090 8.9810 124.0736 53.6364 18.8401 178.1036 *76 A 4.2683 8.1852 118.4033 52.1826 21.0135 178.5915 77 I 4.0716 7.4592 108.2598 63.4894 38.3133 178.2062 78 T 4.3560 8.1489 117.3204 67.0442 68.2851 175.5552 79 S 4.2949 8.3019 113.6801 61.8502 62.1160 176.2286 80 A 4.0184 7.3147 122.3232 54.9648 18.1577 178.6711 81 Y 3.8923 8.7766 118.6192 61.2206 39.1197 177.8186 82 Y 4.0596 8.0997 117.1703 59.2949 37.8474 176.0814 83 R 3.8817 7.2968 119.8930 58.3197 30.2596 176.4446 84 G 3.8844 8.9502 113.6243 45.0660 0.0000 173.2505 85 A 4.1444 7.8119 123.5342 52.6434 18.8109 177.6015 86 V 4.2260 8.6283 115.5571 61.4421 33.6928 175.8097 87 G 4.6020 7.8344 106.4338 44.8074 0.0000 171.3556 88 A 5.2935 8.8677 120.9343 50.3144 23.3708 175.1732 89 L 4.9466 8.6511 121.1062 53.0599 44.2587 175.7819 90 L 4.8256 8.7882 125.2332 53.6725 42.5178 175.6351 91 V 4.9326 8.8190 125.7337 61.1557 33.8197 174.2463 92 Y 4.9635 8.7874 124.9745 55.2749 42.2631 173.4136 93 D 5.2760 8.9243 119.5126 52.3647 42.5610 177.3184 94 I 4.0160 8.7789 120.5114 63.4083 37.7064 177.3329 95 T 4.4974 8.3759 109.3916 60.5580 69.3480 174.4498 96 K 4.4199 8.0225 124.4561 54.0870 33.1632 175.8729 97 K 3.9137 8.8352 128.0152 59.8219 32.1062 177.8147 98 N 4.8121 8.4966 117.9205 55.9463 38.6426 176.7640 99 S 5.1281 7.7716 116.7018 60.9225 63.4063 175.9773 100 F 4.1345 8.2355 123.8456 60.9734 39.1149 176.8685 101 E 3.7600 8.2133 118.2776 59.3292 29.2690 178.4550 102 N 4.5285 8.1968 114.6124 54.1992 38.6934 177.1966 103 I 3.9208 7.4985 122.9028 64.4224 37.2268 177.6663 104 E 4.1046 7.8805 119.1695 58.8235 29.0521 179.4256 105 K 3.8463 7.7995 118.5403 59.0527 32.2758 179.1244 106 W 4.5223 7.9461 119.2381 59.9212 28.9627 178.3826 107 L 4.1430 8.5962 120.6841 57.6921 41.4943 178.8440 108 K 3.8534 8.1370 119.8380 59.4921 32.0078 178.1196 109 E 3.8675 8.2320 119.4952 59.3443 29.4198 178.5581 110 L 3.5608 8.0776 120.0368 58.2956 41.9944 179.2820 111 R 3.9076 7.7782 116.4898 59.0365 29.9845 178.4194 112 D 4.4400 7.8980 118.3394 56.4727 40.9306 177.4722 113 N 4.5965 7.4798 114.9189 52.7526 39.9387 175.2092 114 A 4.5178 7.1822 122.4168 50.1726 20.7720 176.3260 115 D 4.4196 8.4912 119.1666 54.6245 41.5943 177.9781 116 S 4.2455 8.6318 119.7436 60.5392 63.3756 174.4674 117 N 4.7651 8.0025 117.4572 52.7863 38.4603 174.6370 118 I 3.8846 7.3425 119.3102 61.5184 38.8287 175.3386 119 V 4.2017 8.4649 129.0699 61.8273 32.8945 174.4421 120 I 5.0216 8.3377 127.8277 59.3847 40.4906 173.8369 121 L 4.9804 8.6677 129.2939 52.9716 44.4970 174.9702 122 L 4.8861 9.0679 129.7613 54.9866 43.5845 175.4918 123 V 4.7880 9.0874 126.2236 61.1161 34.5541 174.4149 124 G 3.3445 8.7249 116.2938 44.7005 0.0000 172.6083 125 N 5.0934 8.5385 126.2989 51.4192 41.5077 174.2918 126 K 4.2795 8.4939 117.2817 57.5745 28.8684 178.6784 127 S 4.2400 8.1677 115.0581 60.8508 63.3078 175.3071 128 D 4.3927 8.0172 119.7735 55.7403 40.0092 176.7550 129 L 4.4131 7.6902 122.9909 53.2932 40.5658 177.6971 130 K 3.8889 7.9112 119.8774 59.9588 32.6282 178.5959 131 H 4.4329 8.1914 115.7854 57.6217 29.9968 175.1962 132 L 4.5719 7.8149 117.8828 54.4508 42.3250 176.1244 133 R 4.2373 7.9203 119.9549 56.6772 30.3871 176.3194 134 V 4.2739 8.4574 116.3334 60.7139 33.8024 175.5527 135 I 4.1033 7.5642 120.3501 59.3971 37.6412 175.6040 136 N 4.6168 8.3194 123.9580 52.6340 40.4712 175.9963 137 D 4.5429 8.6974 124.1971 56.7824 39.5433 178.4799 138 N 4.3464 8.1802 117.9298 56.3599 39.0927 176.5193 139 D 4.5033 8.0372 119.8908 57.1941 40.9135 178.3039 140 A 3.9898 7.4695 121.1989 55.4094 18.3124 179.7168 141 T 3.7351 7.8267 114.2734 66.8439 68.5356 176.5961 142 Q 4.0170 8.1562 119.8612 59.3140 28.8397 178.6695 143 Y 4.0685 7.9391 119.5027 60.6516 38.7805 177.6350 144 A 3.9070 8.2118 121.9304 55.1444 17.8920 179.7946 145 K 3.8625 8.1065 116.7999 59.4615 31.9279 179.4029 146 K 3.8932 7.7213 118.6522 59.0670 32.1899 177.6904 147 E 4.2046 7.4668 115.0797 54.7811 30.5461 175.7461 148 K 3.7931 7.5371 116.2536 57.9443 29.7391 175.1939 149 L 4.9484 7.9007 116.8950 52.6454 45.0168 178.2233 150 A 4.4222 8.2192 122.3505 52.1045 20.0147 176.3601 151 F 5.5499 8.4754 120.6636 56.9273 42.5917 173.5062 152 I 4.1607 8.4636 124.7337 59.4023 41.9126 172.9849 153 E 5.1436 8.2471 125.7958 54.7768 31.5421 175.2926 154 T 4.8464 8.8285 113.0097 59.9235 73.4310 172.8098 155 S 4.6203 8.7663 116.0963 56.4230 64.2398 174.4938 156 A 4.1359 8.8423 131.6022 55.0905 18.5944 178.5494 157 L 2.6599 7.9682 116.7630 57.8619 42.3862 177.5777 158 E 4.1447 8.2962 115.6569 55.7509 29.9429 177.8329 159 A 3.8666 8.0070 121.9000 52.0889 18.1612 178.2616 160 T 3.9091 7.1833 112.4192 65.1948 68.9578 174.1578 161 N 4.2639 9.0496 121.3484 54.1660 36.9916 176.3517 162 V 3.5981 7.8503 119.5442 66.1123 31.5619 177.7109 163 E 4.1647 8.2526 118.6159 59.2967 29.5488 178.2538 164 L 3.9023 7.9515 119.6166 58.0596 42.2159 178.3807 165 A 3.8401 7.9894 120.5555 55.4702 18.3475 179.7109 166 F 3.9113 7.8551 115.5377 60.8220 38.8448 177.8384 167 H 4.3034 8.6639 116.1807 58.6381 28.5718 177.4827 168 Q 3.9734 8.2466 121.5086 59.1348 28.9002 178.2724 169 L 3.9205 7.7744 120.9704 58.3430 42.3220 178.9765 170 L 4.2303 8.1211 118.8237 57.9169 41.5136 179.3631 171 N 4.4912 8.4086 116.6581 56.2342 38.4794 177.1311 172 E 4.0096 8.2565 120.6904 59.0528 29.6190 178.8936 173 I 3.5063 7.8889 119.9828 64.4265 37.0825 177.4468 174 Y 4.1142 7.9571 119.8833 61.1531 38.3793 178.1991 175 N 4.3322 8.1303 115.7213 56.1027 38.6563 177.3916 176 V 3.6919 7.7403 119.1806 65.6203 31.8478 177.5629 177 R 4.2526 7.7421 112.4258 56.2470 29.8983 175.9884 178 Q 3.7102 7.8817 126.5269 56.4013 28.9725 175.2105 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 6 D 8.36 4.65 0.00 2.86 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 7 Y 7.87 4.02 0.00 3.03 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 8 Y 6.88 4.47 0.00 2.98 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.66 4.16 0.00 2.62 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 7.86 4.87 0.00 2.44 2.61 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 0.00 0.00 0.00 11 L 8.77 4.71 0.00 1.49 1.55 0.77 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 12 F 9.13 5.23 0.00 2.93 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 13 K 8.81 4.88 0.00 1.91 1.70 0.00 1.45 0.00 0.00 1.67 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.64 7.81 14 I 9.22 5.19 2.05 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.96 1.05 0.00 0.00 15 V 8.46 4.72 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.87 0.00 0.00 16 L 8.80 5.10 0.00 1.76 1.63 1.09 0.84 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 17 I 9.62 4.32 1.33 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 1.19 1.24 0.91 0.00 0.00 18 G 6.88 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.18 4.86 0.00 2.90 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.50 4.22 0.00 3.89 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.96 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 0.00 0.00 0.00 22 V 7.04 3.80 2.12 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 0.86 0.00 0.00 0.98 0.00 0.00 23 G 8.41 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 24 K 8.42 4.03 0.00 1.87 1.89 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.25 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.50 1.46 7.81 25 S 7.99 4.18 0.00 4.00 4.21 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 26 N 7.95 4.41 0.00 2.69 2.93 0.00 0.00 7.63 6.74 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 27 L 8.01 4.13 0.00 2.01 1.97 0.91 0.60 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 28 L 8.01 4.00 0.00 1.80 1.87 0.95 0.91 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 29 S 8.27 4.10 0.00 4.04 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.42 4.02 0.00 2.16 2.32 0.00 3.21 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 1.75 1.82 0.00 31 F 8.12 4.28 0.00 2.73 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.71 3.89 4.21 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 1.15 0.00 0.00 33 R 7.43 4.43 0.00 1.83 1.88 0.00 3.14 0.00 0.00 3.05 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 34 D 7.86 4.49 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 35 E 8.07 4.89 0.00 1.94 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.46 0.00 36 F 8.47 4.75 0.00 2.93 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 37 N 9.45 4.47 0.00 2.36 2.44 0.00 0.00 7.06 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 *38 L 8.31 4.22 0.00 1.45 1.47 0.92 0.82 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 *45 G 8.18 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 0.00 0.00 0.00 0.00 46 V 7.85 5.37 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 1.45 0.00 0.00 1.04 0.00 0.00 47 E 9.46 5.01 0.00 1.94 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 2.23 2.20 0.00 48 F 8.13 5.16 0.00 1.80 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 49 A 8.68 4.53 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 50 T 8.11 5.57 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 1.31 0.00 0.00 51 K 8.28 4.50 0.00 1.43 1.23 0.00 1.21 0.00 0.00 0.77 0.00 0.00 2.51 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.02 1.21 7.81 52 S 8.55 5.40 0.00 3.74 3.72 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 53 I 8.39 4.62 1.83 0.00 0.00 0.78 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 0.81 0.93 0.00 0.00 54 Q 8.63 4.68 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.06 0.00 0.00 0.00 0.00 0.00 2.29 2.64 0.00 55 L 9.07 4.00 0.00 1.38 1.46 0.31 0.96 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 *58 N 7.88 4.69 0.00 2.76 2.92 0.00 0.00 6.92 7.61 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 59 K 7.87 4.31 0.00 1.74 1.98 0.00 1.98 0.00 0.00 1.99 0.00 0.00 3.19 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.66 1.67 7.81 60 I 9.11 4.90 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.93 0.99 0.00 0.00 61 I 8.38 4.48 1.76 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.88 0.41 0.00 0.00 62 K 9.14 4.46 0.00 1.25 0.94 0.00 0.80 0.00 0.00 1.32 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.14 1.17 7.81 63 A 8.75 4.84 1.43 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 0.00 0.00 64 Q 9.03 4.72 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.72 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 65 I 8.89 5.07 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.60 1.08 0.00 0.00 66 W 9.41 5.31 0.00 3.03 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 81 Y 8.78 3.89 0.00 2.78 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 82 Y 8.10 4.06 0.00 3.11 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 83 R 7.30 3.88 0.00 1.96 1.90 0.00 3.23 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 84 G 8.95 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 7.81 4.14 1.27 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 0.00 0.00 0.00 86 V 8.63 4.23 1.84 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 0.70 0.00 0.00 0.78 0.00 0.00 87 G 7.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.87 5.29 1.27 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 0.00 0.00 0.00 89 L 8.65 4.95 0.00 1.61 1.49 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0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.73 1.57 7.81 98 N 8.50 4.81 0.00 2.86 2.84 0.00 0.00 7.44 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.77 5.13 0.00 4.22 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 8.24 4.13 0.00 2.81 3.10 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 0.00 101 E 8.21 3.76 0.00 2.20 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 102 N 8.20 4.53 0.00 2.85 2.75 0.00 0.00 6.97 7.51 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 0.00 103 I 7.50 3.92 1.54 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 1.81 0.94 1.06 0.00 0.00 104 E 7.88 4.10 0.00 2.17 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 2.34 2.17 0.00 105 K 7.80 3.85 0.00 1.62 1.59 0.00 1.45 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.37 7.81 106 W 7.95 4.52 0.00 3.63 3.25 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 0.00 107 L 8.60 4.14 0.00 1.95 1.99 0.98 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.14 3.85 0.00 2.00 1.99 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.46 7.81 109 E 8.23 3.87 0.00 2.16 2.37 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 2.37 2.41 0.00 110 L 8.08 3.56 0.00 2.05 1.93 1.07 0.80 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 0.00 111 R 7.78 3.91 0.00 1.96 1.95 0.00 3.36 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.80 0.00 112 D 7.90 4.44 0.00 2.73 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 7.48 4.60 0.00 1.79 2.58 0.00 0.00 6.94 7.21 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 0.00 114 A 7.18 4.52 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 123 V 9.09 4.79 2.02 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 0.77 0.00 0.00 0.85 0.00 0.00 124 G 8.72 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 N 8.54 5.09 0.00 2.77 2.77 0.00 0.00 7.10 7.21 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 0.00 126 K 8.49 4.28 0.00 2.04 1.93 0.00 2.02 0.00 0.00 1.92 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.43 7.81 127 S 8.17 4.24 0.00 3.95 3.95 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 0.00 0.00 0.00 128 D 8.02 4.39 0.00 2.77 2.81 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 0.00 129 L 7.69 4.41 0.00 1.88 1.69 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.91 3.89 0.00 1.76 1.90 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.63 7.81 131 H 8.19 4.43 0.00 3.06 3.34 0.00 5.88 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.81 4.57 0.00 1.76 1.64 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 133 R 7.92 4.24 0.00 1.78 1.84 0.00 3.18 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 134 V 8.46 4.27 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 0.97 0.00 0.00 135 I 7.56 4.10 1.84 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 1.55 0.57 -0.02 0.00 0.00 136 N 8.32 4.62 0.00 2.69 2.72 0.00 0.00 6.83 8.08 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 0.00 137 D 8.70 4.54 0.00 3.22 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 0.00 138 N 8.18 4.35 0.00 2.88 2.87 0.00 0.00 7.24 8.49 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 0.00 139 D 8.04 4.50 0.00 2.75 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 7.47 3.99 0.71 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 0.00 141 T 7.83 3.74 4.43 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 1.28 0.00 0.00 142 Q 8.16 4.02 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 143 Y 7.94 4.07 0.00 3.08 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.21 3.91 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 0.00 145 K 8.11 3.86 0.00 2.00 1.85 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.66 7.81 146 K 7.72 3.89 0.00 1.73 1.85 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.46 7.81 147 E 7.47 4.20 0.00 1.52 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 148 K 7.54 3.79 0.00 1.90 1.86 0.00 1.63 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.51 7.81 149 L 7.90 4.95 0.00 1.49 1.57 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 150 A 8.22 4.42 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 0.00 151 F 8.48 5.55 0.00 2.95 2.95 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 0.00 0.00 0.00 152 I 8.46 4.16 1.69 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.98 0.74 0.00 0.00 153 E 8.25 5.14 0.00 1.71 1.72 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 2.19 1.97 0.00 154 T 8.83 4.85 4.20 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 1.09 0.00 0.00 155 S 8.77 4.62 0.00 3.85 3.70 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 0.00 156 A 8.84 4.14 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 0.00 157 L 7.97 2.66 0.00 1.13 1.47 0.12 0.80 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 0.00 158 E 8.30 4.14 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 159 A 8.01 3.87 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.18 3.91 4.21 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 1.18 0.00 0.00 161 N 9.05 4.26 0.00 2.95 2.82 0.00 0.00 6.76 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 0.00 162 V 7.85 3.60 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 1.29 0.00 0.00 1.07 0.00 0.00 163 E 8.25 4.16 0.00 2.18 1.96 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 2.14 2.44 0.00 164 L 7.95 3.90 0.00 1.78 1.78 0.92 0.92 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 0.00 165 A 7.99 3.84 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 F 7.86 3.91 0.00 2.27 2.17 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 0.00 167 H 8.66 4.30 0.00 3.31 3.41 0.00 5.65 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 0.00 168 Q 8.25 3.97 0.00 2.16 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 169 L 7.77 3.92 0.00 1.76 1.81 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 170 L 8.12 4.23 0.00 1.85 1.88 1.09 0.80 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 0.00 171 N 8.41 4.49 0.00 3.11 2.92 0.00 0.00 6.59 7.09 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 0.00 172 E 8.26 4.01 0.00 2.13 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 2.38 0.00 173 I 7.89 3.51 1.80 0.00 0.00 0.78 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 0.58 -0.20 0.00 0.00 174 Y 7.96 4.11 0.00 3.40 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 0.00 175 N 8.13 4.33 0.00 2.90 2.89 0.00 0.00 7.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 V 7.74 3.69 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 0.78 0.00 0.00 0.96 0.00 0.00 177 R 7.74 4.25 0.00 1.85 1.92 0.00 3.08 0.00 0.00 3.14 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 178 Q 7.88 3.71 0.00 1.43 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.58 0.00 0.00 0.00 0.00 0.00 2.20 1.83 0.00 * Residues marked with a * may have inaccurate shift predictions.