NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3386 8.4449 121.4708 56.4660 31.0574 174.5851 3 K 4.2661 7.6986 118.2868 54.2462 35.6214 173.3297 4 K 4.6912 8.6161 117.7810 56.2075 36.4355 174.2368 5 I 5.2672 7.8247 118.9622 60.2018 41.5015 172.6729 6 C 5.0175 8.1736 119.5249 58.4144 32.5748 173.9889 7 Y 4.5856 8.2470 116.8187 56.2766 40.6786 175.4311 8 F 4.1053 9.1799 123.9588 57.5164 39.9337 176.3284 9 E 3.9641 9.2316 124.6075 58.7946 29.9046 176.4013 10 E 4.8934 7.7781 115.8549 53.5283 33.0641 174.1591 11 P 4.4204 0.0000 0.0000 62.6042 32.4210 177.6244 12 G 3.7206 7.2818 106.0613 44.6784 0.0000 172.5663 13 K 4.2045 8.7317 120.6127 59.9579 32.3589 181.3367 14 E 4.4696 8.1951 114.9689 56.8230 28.9002 177.6977 15 N 5.1547 9.2073 117.9042 52.9810 41.1722 176.5620 16 T 4.0512 8.2206 112.2021 65.8137 66.9553 174.9096 17 E 4.0165 8.2592 119.9631 59.0881 29.5204 178.6910 18 R 3.9204 7.9769 116.9469 60.4200 30.0470 178.2757 19 V 3.7755 9.9289 117.5544 65.5946 31.0224 177.6339 20 L 3.8771 9.8836 117.6267 58.3657 41.7489 178.9772 21 E 3.9009 9.2197 119.3342 59.9407 29.5110 178.9646 22 L 3.8918 8.2813 119.6865 58.3051 42.2312 179.5711 23 V 3.7181 10.1257 112.3291 64.3911 31.1710 178.5955 24 G 3.5928 9.3136 106.5755 47.8885 0.0000 175.2606 25 E 3.8555 9.0015 121.4104 59.1419 29.5881 179.6384 26 R 3.8879 8.4548 117.8007 59.6350 30.0602 178.2658 27 A 3.8413 7.9087 119.3687 55.4796 18.5694 178.8671 28 D 4.4021 9.5490 116.0218 57.7801 41.2058 178.1863 29 Q 3.9868 8.9908 118.2915 59.2133 28.7889 178.9198 30 L 4.3393 8.5332 120.7731 54.7254 42.4662 173.7147 31 G 3.8043 8.2533 112.6329 45.3604 0.0000 172.5204 32 I 4.7005 7.8868 124.4269 59.9530 40.6595 175.1133 33 R 4.9206 8.6042 118.4611 55.9065 31.3960 175.1702 34 N 5.3562 8.5167 116.7750 52.4156 43.0257 173.6233 35 F 5.1995 9.2153 122.5799 56.0954 43.6104 174.4179 36 V 4.6296 7.9820 114.8608 61.4952 34.5233 172.4309 37 V 5.4000 8.8302 121.8663 60.4539 35.6356 173.6704 38 A 4.9888 8.5497 122.8777 49.7607 18.6885 173.8391 39 S 4.7560 8.3294 115.4176 56.4499 65.2595 175.5092 40 V 4.1241 8.9347 124.5060 62.6276 31.7232 176.8333 41 S 4.4678 7.7025 114.3010 60.0946 64.8427 174.1652 42 G 3.7393 8.7960 110.9432 45.5968 0.0000 174.3117 43 E 3.6511 7.5183 119.2536 59.8084 29.8284 178.7929 44 T 3.8226 7.8794 115.7001 66.2499 69.2066 175.3713 45 A 4.1119 8.1272 123.0404 52.8358 19.5539 178.9911 46 L 3.9291 9.9753 117.8362 58.2217 42.0187 178.9090 47 R 3.9958 8.0191 116.4000 59.2259 30.0023 178.5320 48 L 4.1290 7.5600 119.1293 58.7859 42.2991 179.2983 49 S 4.1363 7.9348 113.1814 61.0742 64.1402 176.0792 50 E 4.1566 7.2739 118.0260 55.0372 28.4047 176.4040 *52 V 3.9684 7.2863 110.8599 61.9199 33.2752 175.2476 53 E 4.5618 8.7153 118.8543 54.4405 33.1632 171.9523 54 G 3.8752 8.6110 111.9428 44.4837 0.0000 175.5252 55 N 4.7925 5.7700 121.6368 51.5303 39.9969 172.9831 56 I 4.5108 7.7683 123.9567 60.6599 39.2622 175.1357 57 V 4.5920 7.9379 114.6950 60.6434 36.0162 173.0959 58 S 5.3695 8.4346 119.0662 55.6633 61.6029 173.1136 59 V 4.4243 8.1364 123.3620 62.7160 33.1577 174.3217 60 T 4.8835 8.2934 119.5483 60.1685 71.8012 172.1305 61 H 4.4940 8.8843 119.8875 55.9592 29.0574 175.4642 62 H 4.2627 9.1105 119.4429 55.2470 28.9125 174.6693 63 A 4.0124 8.4666 124.6327 54.2052 18.5393 178.0972 64 G 4.4894 8.9298 108.9260 46.2852 0.0000 174.3475 65 F 3.9704 7.8093 122.1584 60.1505 39.6579 175.6013 66 R 4.6143 8.1946 118.4376 57.2328 31.8408 175.5765 67 E 4.7239 7.7790 115.1215 54.1061 33.5936 174.4054 68 K 3.8895 8.8621 121.2144 58.2453 32.5475 176.9939 69 G 3.9209 8.8398 113.0957 46.7661 0.0000 174.8293 70 Q 4.3315 7.8378 117.0838 53.4988 30.4703 175.5504 71 L 4.3083 8.2031 122.1819 54.6521 42.6037 176.9739 72 E 4.2878 8.4398 118.7862 57.5144 30.7742 174.8991 73 L 3.9486 7.8768 120.5927 54.6954 41.2539 176.1872 74 E 3.9791 8.6388 124.1516 56.8871 31.2108 177.7446 75 D 4.4135 8.7524 122.3544 57.2419 41.0415 178.9276 76 E 3.9416 8.1921 118.8056 59.3808 29.4578 178.8540 77 A 4.1428 7.7792 119.9491 54.3598 18.8223 179.4485 78 R 3.8789 9.5081 117.4711 59.5804 30.1094 177.9919 79 D 4.2945 8.4252 117.9245 57.6440 41.1896 177.6357 80 A 3.9545 7.7188 120.3769 56.2084 17.9303 178.6237 81 L 3.7764 9.1101 117.9471 58.0697 41.7465 179.1579 82 L 3.8207 8.2069 121.0960 58.0415 42.2364 179.3287 83 E 4.0525 8.5092 119.1572 59.2818 29.5345 178.6483 84 R 3.9474 8.0501 116.4551 57.5269 30.4734 176.6406 85 G 3.8961 9.4796 106.1531 45.9176 0.0000 173.5478 86 V 4.3151 7.1574 118.1230 61.4785 34.4778 174.1191 87 N 4.1361 7.9920 123.5411 49.9323 40.2699 173.6565 88 V 4.7941 8.2974 121.5228 61.4328 34.9685 173.7901 89 Y 4.8481 8.5420 126.1386 56.1442 42.9838 173.5008 90 A 4.9381 7.3005 124.5652 51.0541 22.2183 175.8831 91 G 4.2356 8.4761 110.3871 45.1448 0.0000 171.9468 92 S 4.3341 8.5928 115.6099 57.7124 63.7531 173.7154 93 H 4.1356 8.9209 121.7345 56.2339 28.5067 175.9650 94 A 4.1424 8.8034 128.2899 54.3268 18.3003 177.3719 95 L 4.8433 7.6548 115.6061 53.7767 42.6430 176.8959 96 S 4.7209 8.4391 113.3856 59.3215 70.0800 175.2407 97 G 3.8842 7.9393 112.5160 45.2845 0.0000 174.4024 98 V 3.6925 8.4165 116.2397 65.5593 31.3475 178.8276 99 G 4.3219 8.1453 106.9023 47.3866 0.0000 175.4128 100 R 3.9924 8.0183 121.2961 58.1849 29.9541 178.9475 101 G 3.4914 8.9038 107.1388 47.8154 0.0000 175.7348 102 I 3.8199 7.7415 122.4915 64.2132 37.0583 178.5677 103 S 4.1206 8.3696 116.0718 61.8011 62.4576 176.6105 104 N 4.4068 8.1127 117.9587 55.7536 38.2142 177.1798 105 R 3.8208 7.5114 119.4805 58.7394 30.4191 177.5402 106 F 4.8299 8.5781 116.2805 57.3558 40.1426 176.6767 107 G 4.4151 8.7357 107.1332 45.6443 0.0000 173.5583 108 G 4.2817 7.4208 114.5043 44.1109 0.0000 176.4468 109 V 4.3957 8.5501 119.8874 61.5078 32.9030 172.0471 110 T 4.5485 8.4697 111.4543 58.8646 70.1745 172.3309 111 P 4.0909 0.0000 0.0000 66.1394 31.9747 179.1862 112 V 3.6506 7.6599 119.2882 66.4135 32.2799 178.2652 113 E 4.3497 7.9919 116.6128 58.5254 29.1949 179.3760 114 I 3.8368 8.7823 117.7501 62.1581 36.6846 177.4679 *116 A 4.2002 7.8868 123.4510 52.2429 20.2364 179.3576 117 E 3.8858 7.8461 114.9680 60.2379 29.5599 178.3784 118 T 3.8621 7.9115 112.7902 64.0260 67.4012 175.5686 119 L 3.7806 7.6383 121.9126 57.6331 43.2989 179.4168 120 R 4.3106 7.7549 117.5262 56.8472 26.2550 176.3600 *122 V 4.1429 7.4248 120.2075 61.6562 34.2199 174.6608 123 S 4.7114 7.5979 111.7052 55.8343 65.6657 174.7998 124 Q 4.2271 9.2429 123.5591 59.5634 28.5425 180.1151 125 G 3.6782 8.0998 105.3937 47.1904 0.0000 175.3563 126 F 4.0805 8.9083 123.9402 61.0442 39.6531 176.9862 127 K 4.2074 7.8767 117.3457 60.3892 32.4920 179.1920 128 V 3.4875 7.9716 113.8258 64.4617 31.0240 178.0677 129 C 4.0584 7.7913 114.6570 62.5441 27.8773 176.1151 130 V 3.6623 8.6828 120.5844 65.7903 31.2531 176.5428 131 E 3.8914 8.3801 117.1911 59.1847 29.2065 177.8138 132 I 3.7473 7.8643 115.9187 64.2865 38.0405 177.6940 133 A 4.1347 7.5057 121.7734 55.2605 18.1565 181.0813 134 I 3.8068 8.0970 115.0827 61.8461 36.7576 178.1544 *136 A 3.9474 8.0098 124.2724 52.1640 20.3921 179.8936 137 A 4.4524 7.5995 117.6950 54.9385 18.5699 179.6345 138 D 4.2429 7.9999 114.5017 57.0728 41.2611 177.1620 139 A 4.2721 7.6444 120.5804 51.9992 18.1203 178.9425 140 G 3.9589 7.8168 105.3541 46.3304 0.0000 175.0991 141 L 3.9880 7.1169 119.6260 56.4395 41.3992 177.7076 142 I 4.0036 7.9274 113.8267 60.1354 39.2996 174.8548 143 P 4.5633 0.0000 0.0000 63.1341 31.6840 176.6726 144 V 4.4950 8.1635 110.6073 60.9772 33.3852 175.9623 145 D 4.9436 7.6614 118.6788 52.2533 39.5526 175.0293 146 E 4.6943 7.5108 115.1485 55.8824 31.6998 174.6374 147 E 4.4171 8.5561 119.0051 56.7306 30.2788 176.4544 148 V 4.7400 8.3788 120.5356 60.5178 35.9276 173.6513 149 I 4.5734 8.1056 123.5181 59.2686 40.0402 174.3094 150 A 4.9498 8.9287 128.7977 50.0873 21.6265 175.1531 151 I 4.6656 8.1847 122.0154 59.4466 41.9002 174.5287 152 G 4.4182 9.2183 114.5149 46.5981 0.0000 171.5509 153 G 4.6127 8.2996 108.0621 44.8017 0.0000 172.1088 154 T 4.1938 8.2885 108.7127 60.6416 69.6699 172.4286 155 A 3.3558 7.9710 128.2861 52.0699 17.5566 177.4329 156 W 5.4898 7.5519 116.2484 54.6866 31.7548 175.6705 157 G 3.8558 7.1669 115.6731 44.7363 0.0000 176.7730 158 A 4.6129 8.0736 116.8214 51.6483 20.1623 175.9127 159 D 3.9237 7.4994 122.1890 53.8434 41.0314 177.0600 160 T 4.9276 7.5148 115.7123 60.6648 72.1630 172.8723 161 A 4.5280 7.4460 120.3694 52.0193 22.3556 175.6988 162 L 4.9839 8.8290 121.3261 53.2819 46.7654 174.8942 163 V 4.8640 8.5195 118.7995 61.7196 34.6367 175.1734 164 L 4.8111 8.5108 126.7990 55.1630 44.3833 175.2105 165 T 4.7499 8.3346 117.4538 60.5530 67.5525 172.2210 166 P 4.2731 0.0000 0.0000 62.2929 32.8699 174.0074 167 A 4.5955 7.9820 120.6672 50.2705 22.6852 177.5763 168 H 5.0804 8.5667 124.0495 55.7098 27.0700 179.2312 *170 N 4.7715 8.7963 127.1432 53.6521 38.4676 174.7626 171 S 4.6784 7.7988 114.7989 58.2496 64.2069 175.8377 172 V 4.0265 7.6236 118.3671 65.1610 30.8652 177.5896 173 F 4.3678 7.9202 118.7310 58.6592 39.2191 176.1640 174 D 4.8252 8.1539 120.1609 54.1920 40.5559 175.9685 175 L 4.0961 7.4227 121.7019 54.8108 42.6145 176.5532 176 R 4.5074 8.0694 123.5230 54.0820 32.3186 174.2403 177 I 4.0018 8.2915 124.6717 61.3255 38.1132 174.9356 178 H 4.9723 9.4722 126.8536 57.0784 30.6371 174.8639 179 E 4.8966 7.9483 115.4086 55.0735 33.9267 174.5744 180 V 4.4489 8.3365 121.7316 60.5559 33.5508 174.8364 181 I 4.3695 7.9646 121.1048 62.7201 39.9341 175.3618 182 A 4.6276 7.3835 121.7362 50.7183 22.0203 172.7367 *184 P 4.3920 0.0000 0.0000 62.4086 32.4119 176.9972 185 R 4.2420 9.0283 124.5674 59.1113 30.3225 174.6218 186 P 4.4863 0.0000 0.0000 63.0693 31.3102 176.1621 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 E 8.44 4.34 0.00 1.95 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 2.19 2.35 0.00 3 K 7.70 4.27 0.00 1.80 1.69 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.30 1.55 7.81 4 K 8.62 4.69 0.00 1.81 1.73 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.39 7.81 5 I 7.82 5.27 1.86 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.99 1.07 0.00 0.00 6 C 8.17 5.02 0.00 2.65 2.53 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 7 Y 8.25 4.59 0.00 2.75 2.92 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 8 F 9.18 4.11 0.00 3.06 3.05 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 0.00 0.00 0.00 9 E 9.23 3.96 0.00 1.98 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 2.34 2.37 0.00 10 E 7.78 4.89 0.00 2.01 1.85 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 2.25 2.27 0.00 11 P 0.00 4.42 0.00 2.04 1.96 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 12 G 7.28 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 0.00 0.00 0.00 13 K 8.73 4.20 0.00 1.94 1.88 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.71 7.81 14 E 8.20 4.47 0.00 2.04 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 0.00 2.35 2.44 0.00 15 N 9.21 5.15 0.00 2.52 3.16 0.00 0.00 6.65 5.12 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 16 T 8.22 4.05 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 17 E 8.26 4.02 0.00 2.13 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 2.42 2.46 0.00 18 R 7.98 3.92 0.00 1.95 2.16 0.00 3.16 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 19 V 9.93 3.78 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 0.99 0.00 0.00 1.07 0.00 0.00 20 L 9.88 3.88 0.00 2.05 1.74 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 21 E 9.22 3.90 0.00 2.09 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 0.00 2.33 2.36 0.00 22 L 8.28 3.89 0.00 1.96 1.72 0.88 0.91 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 23 V 10.13 3.72 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 0.75 0.00 0.00 1.06 0.00 0.00 24 G 9.31 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 25 E 9.00 3.86 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.58 0.00 26 R 8.45 3.89 0.00 1.92 2.00 0.00 3.15 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 27 A 7.91 3.84 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 28 D 9.55 4.40 0.00 2.81 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 29 Q 8.99 3.99 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 30 L 8.53 4.34 0.00 1.75 1.62 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.25 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.89 4.70 1.69 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 1.38 0.49 1.04 0.00 0.00 33 R 8.60 4.92 0.00 1.80 1.93 0.00 3.14 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 34 N 8.52 5.36 0.00 2.69 2.76 0.00 0.00 6.78 8.13 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 35 F 9.22 5.20 0.00 2.73 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 36 V 7.98 4.63 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 0.71 0.00 0.00 0.92 0.00 0.00 37 V 8.83 5.40 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 1.15 0.00 0.00 0.98 0.00 0.00 38 A 8.55 4.99 1.20 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 0.00 0.00 39 S 8.33 4.76 0.00 3.77 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 40 V 8.93 4.12 1.67 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 0.65 0.00 0.00 0.52 0.00 0.00 41 S 7.70 4.47 0.00 3.92 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.80 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 43 E 7.52 3.65 0.00 2.01 1.89 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 2.33 2.38 0.00 44 T 7.88 3.82 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 45 A 8.13 4.11 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 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0.00 7.51 7.79 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 56 I 7.77 4.51 1.78 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 1.37 0.48 0.91 0.00 0.00 57 V 7.94 4.59 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 0.75 0.00 0.00 0.95 0.00 0.00 58 S 8.43 5.37 0.00 3.89 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 59 V 8.14 4.42 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 1.31 0.00 0.00 0.96 0.00 0.00 60 T 8.29 4.88 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 61 H 8.88 4.49 0.00 2.97 3.10 0.00 5.96 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 62 H 9.11 4.26 0.00 3.33 3.69 0.00 5.48 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.47 4.01 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 64 G 8.93 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 0.00 0.00 0.00 0.00 65 F 7.81 3.97 0.00 2.97 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 66 R 8.19 4.61 0.00 1.90 1.97 0.00 3.64 0.00 0.00 3.44 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 67 E 7.78 4.72 0.00 2.04 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 0.00 2.32 2.36 0.00 68 K 8.86 3.89 0.00 1.74 1.81 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.48 7.81 69 G 8.84 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 70 Q 7.84 4.33 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.56 0.00 71 L 8.20 4.31 0.00 1.63 1.60 0.90 1.01 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 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0.00 0.00 0.00 0.79 0.00 0.00 0.95 0.00 0.00 89 Y 8.54 4.85 0.00 3.11 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 90 A 7.30 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 8.48 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 0.00 0.00 0.00 0.00 92 S 8.59 4.33 0.00 3.90 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.92 4.14 0.00 3.20 3.63 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.80 4.14 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 95 L 7.65 4.84 0.00 1.77 1.65 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.44 4.72 0.00 3.94 4.05 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 0.00 0.00 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0.00 2.21 0.00 0.00 2.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.42 0.00 106 F 8.58 4.83 0.00 3.08 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 0.00 107 G 8.74 4.42 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 0.00 108 G 7.42 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 0.00 0.00 0.00 0.00 109 V 8.55 4.40 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 0.71 0.00 0.00 0.94 0.00 0.00 110 T 8.47 4.55 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 111 P 0.00 4.09 0.00 2.22 2.10 0.00 3.64 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 2.14 2.12 0.00 112 V 7.66 3.65 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 0.88 0.00 0.00 0.91 0.00 0.00 113 E 7.99 4.35 0.00 2.09 1.98 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 0.00 124 Q 9.24 4.23 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 125 G 8.10 3.68 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 0.00 0.00 0.00 126 F 8.91 4.08 0.00 3.07 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 0.00 127 K 7.88 4.21 0.00 2.13 2.08 0.00 1.29 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.70 7.81 128 V 7.97 3.49 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 0.90 0.00 0.00 0.92 0.00 0.00 129 C 7.79 4.06 0.00 3.19 2.92 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 0.00 130 V 8.68 3.66 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 0.92 0.00 0.00 1.12 0.00 0.00 131 E 8.38 3.89 0.00 2.12 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 2.30 2.46 0.00 132 I 7.86 3.75 1.86 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 1.72 0.68 0.88 0.00 0.00 133 A 7.51 4.13 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.10 3.81 1.89 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 1.40 1.20 0.95 0.00 0.00 *136 A 8.01 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 0.00 137 A 7.60 4.45 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 D 8.00 4.24 0.00 2.77 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 0.00 139 A 7.64 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.82 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.12 3.99 0.00 1.76 1.52 0.92 0.90 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 0.00 142 I 7.93 4.00 1.89 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 1.49 0.89 0.97 0.00 0.00 143 P 0.00 4.56 0.00 2.07 2.03 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 144 V 8.16 4.50 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 0.60 0.00 0.00 0.83 0.00 0.00 145 D 7.66 4.94 0.00 2.74 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 0.00 146 E 7.51 4.69 0.00 2.05 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 2.13 2.28 0.00 147 E 8.56 4.42 0.00 1.87 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 2.38 2.32 0.00 148 V 8.38 4.74 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 1.23 0.00 0.00 0.93 0.00 0.00 149 I 8.11 4.57 1.42 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.41 0.80 0.00 0.00 150 A 8.93 4.95 1.17 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 0.00 151 I 8.18 4.67 1.84 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 1.16 1.31 0.96 0.00 0.00 152 G 9.22 4.42 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 0.00 153 G 8.30 4.61 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 0.00 0.00 0.00 154 T 8.29 4.19 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 155 A 7.97 3.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 W 7.55 5.49 0.00 3.35 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 0.00 157 G 7.17 3.86 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 0.00 0.00 0.00 158 A 8.07 4.61 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 0.00 159 D 7.50 3.92 0.00 1.79 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 0.00 160 T 7.51 4.93 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 0.93 0.00 0.00 161 A 7.45 4.53 1.15 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 0.00 0.00 162 L 8.83 4.98 0.00 1.40 1.54 0.36 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 163 V 8.52 4.86 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 1.02 0.00 0.00 0.85 0.00 0.00 164 L 8.51 4.81 0.00 1.67 1.65 0.88 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 165 T 8.33 4.75 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 1.22 0.00 0.00 166 P 0.00 4.27 0.00 1.89 2.03 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 167 A 7.98 4.60 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 0.00 168 H 8.57 5.08 0.00 3.23 2.48 0.00 5.65 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *170 N 8.80 4.77 0.00 2.86 2.99 0.00 0.00 5.65 7.64 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 0.00 171 S 7.80 4.68 0.00 3.84 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 0.00 172 V 7.62 4.03 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 0.48 0.00 0.00 0.54 0.00 0.00 173 F 7.92 4.37 0.00 3.15 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 0.00 174 D 8.15 4.83 0.00 2.82 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 0.00 175 L 7.42 4.10 0.00 1.74 1.58 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 176 R 8.07 4.51 0.00 1.72 1.78 0.00 3.21 0.00 0.00 3.14 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 177 I 8.29 4.00 1.90 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.76 0.97 0.00 0.00 178 H 9.47 4.97 0.00 3.10 3.29 0.00 5.75 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 E 7.95 4.90 0.00 1.86 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 180 V 8.34 4.45 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 0.74 0.00 0.00 0.79 0.00 0.00 181 I 7.96 4.37 1.80 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 1.11 0.82 0.88 0.00 0.00 182 A 7.38 4.63 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 *184 P 0.00 4.39 0.00 2.10 2.06 0.00 3.65 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 185 R 9.03 4.24 0.00 2.07 2.09 0.00 3.36 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 186 P 0.00 4.49 0.00 2.12 2.02 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 * Residues marked with a * may have inaccurate shift predictions.