NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4645 8.1927 115.4192 57.9079 64.7660 174.3937 3 Q 3.7625 8.4801 120.7951 57.5601 28.7378 176.5125 4 S 4.1325 8.8179 116.1944 61.3474 63.4413 175.5881 5 N 4.3299 8.1106 119.7602 56.2660 38.3313 177.3460 6 R 3.8902 7.9672 119.9623 59.3630 30.0943 178.1842 7 E 3.8474 8.1434 119.3368 58.9085 29.6486 178.5231 8 L 3.7942 8.1496 120.7867 57.9748 42.0809 179.0094 9 V 3.8780 8.1002 118.4452 66.3279 31.4742 178.1304 10 V 2.9782 7.8526 117.9834 65.7129 31.2080 177.5240 11 D 4.1789 8.0866 117.8256 57.2053 41.1082 177.9918 12 F 3.9841 8.2612 121.1559 61.2408 39.4000 177.1244 13 L 4.1394 8.3968 118.8194 57.9897 41.5007 179.5746 14 S 4.5041 8.3796 115.3561 61.8947 62.7837 176.1504 15 Y 3.9723 8.0347 122.0791 60.6566 38.4935 178.4077 16 K 3.7620 7.8923 119.3701 59.2864 32.0667 179.4318 17 L 4.1906 8.1662 119.3826 57.7341 41.5504 179.4395 18 S 4.5304 8.2627 113.0685 61.7387 62.2001 175.9158 19 Q 3.8554 7.6390 120.7070 58.4798 28.6183 177.7088 20 K 4.5044 7.6795 116.4059 55.7298 32.5136 177.1077 21 G 3.7246 8.1634 107.5028 45.4874 0.0000 173.1482 22 Y 4.5594 8.2545 117.2060 55.9314 40.0985 175.2429 23 S 4.0795 8.3192 115.7201 57.5794 63.2361 173.4038 24 W 4.9308 6.9858 118.7404 56.0783 28.8022 176.6461 25 S 4.1711 7.6783 117.4283 61.6871 62.2734 175.9899 26 Q 4.0702 7.6738 116.6461 57.1425 27.8379 176.8861 27 F 4.6722 7.1122 117.0027 59.4570 39.7811 177.5502 28 S 4.1076 7.9366 119.7350 60.7655 62.3011 174.7050 29 D 4.6485 8.2959 119.3319 53.9150 40.7397 179.4051 *81 I 5.0397 7.9133 119.7625 61.8740 38.9369 174.3027 82 P 4.4584 0.0000 0.0000 63.2838 31.4525 175.2099 83 M 4.1701 8.4602 114.7106 57.5880 32.5651 177.7565 84 A 3.9039 7.8744 120.2849 55.2641 18.5757 179.3495 85 A 3.9091 7.9238 118.6788 55.0321 18.3647 179.9745 86 V 3.6041 7.6320 116.3334 66.1688 31.7118 178.0549 87 K 3.7116 8.1177 118.5637 59.5654 31.9187 179.0579 88 Q 3.7710 8.3177 119.5979 59.1720 29.0092 178.1044 89 A 4.0166 8.1754 121.8663 55.0322 18.3094 179.4386 90 L 4.1152 8.2822 119.2140 58.3504 42.3006 179.2267 91 R 3.7713 8.1359 118.3191 59.2814 29.7897 178.9517 92 E 4.0327 8.2717 118.0082 59.3689 29.4850 179.1848 93 A 4.3367 8.3789 121.0312 55.1890 18.3336 179.9019 94 G 4.0268 8.6239 104.2989 48.2081 0.0000 175.6725 95 D 4.5460 8.3165 121.0967 57.0976 40.1098 178.3342 96 E 4.0131 8.5662 119.9170 59.3689 29.7508 178.6150 97 F 4.3630 8.9367 120.8979 61.6049 39.3890 176.9133 98 E 4.3844 8.6497 117.6568 58.1879 29.2948 178.8738 99 L 4.1521 7.7169 118.7546 56.9158 41.7511 178.5292 100 R 4.3290 7.1135 115.0320 55.8092 29.9179 175.6923 101 Y 4.5616 7.1257 116.9284 56.4918 38.9314 175.9906 102 R 4.4951 8.2335 123.4142 56.2210 31.7778 178.2674 103 R 4.0097 8.0739 115.6040 56.9064 30.0531 176.5867 104 A 4.0114 8.3628 120.1419 53.6818 16.9311 176.6720 105 F 3.9544 7.3786 114.8288 59.2888 37.2830 178.2902 106 S 4.2282 8.1384 117.9924 62.0512 62.8892 176.2386 107 D 4.3545 8.0973 120.6294 57.3977 40.8141 178.5804 108 L 3.9857 8.0341 119.1182 58.1890 41.7166 179.6539 109 T 4.1633 8.5209 109.7553 64.8892 68.3544 176.7260 110 S 4.1606 7.8668 117.1825 61.7058 63.0000 176.2120 111 Q 4.1848 8.1252 119.4676 58.8582 28.4691 178.3986 112 L 4.0551 8.0444 120.4392 56.4577 43.7072 176.8756 113 H 4.0641 8.6769 111.4395 56.2762 27.5071 174.0869 114 I 3.8540 7.4277 123.0391 62.1649 39.1174 174.5394 115 T 4.7734 8.8313 116.1874 59.4530 71.9002 172.8096 116 P 4.4201 0.0000 0.0000 64.3960 31.3010 177.7835 117 G 3.9112 7.8014 106.3289 46.6672 0.0000 174.7671 118 T 3.9068 7.5988 116.3157 64.2019 69.2590 173.2475 119 A 4.8804 8.2317 126.9837 50.2946 21.9984 176.8627 120 Y 2.4899 8.3883 120.3028 60.7507 38.5977 178.7048 121 Q 3.8598 8.0855 118.0186 59.3955 28.8589 179.4754 122 S 4.0541 7.8195 115.7442 61.1983 62.7983 176.4846 123 F 4.0568 7.4998 122.8830 61.2867 39.2416 176.4678 124 E 3.8229 8.0392 119.1957 59.5137 29.0651 178.8998 125 Q 3.9130 7.5786 116.9214 58.7943 29.1357 178.5735 126 V 3.5712 7.4594 118.9317 65.9162 31.6015 178.3366 127 V 3.0420 7.3866 118.0285 65.7340 31.1254 177.4739 128 N 4.7642 8.0298 117.6759 55.6020 38.0751 176.5081 129 E 3.7953 7.4952 119.4559 59.5275 29.6300 178.7979 130 L 3.8093 7.9131 117.9954 56.2385 41.8388 177.6091 131 F 4.9738 7.8670 118.3504 56.9153 39.6070 178.1102 132 R 3.9337 8.1437 121.9621 58.8034 30.0481 177.5506 133 D 4.7028 8.1982 115.5695 53.7301 41.1773 176.6196 134 G 3.8469 7.9820 105.9518 44.6920 0.0000 173.7537 135 V 3.8038 7.3368 117.7419 62.3453 32.2752 175.2310 136 N 4.3025 7.5835 121.1066 49.9539 43.9975 175.9272 137 W 4.5771 8.5539 122.4442 60.1861 29.3838 179.0683 138 G 3.9578 8.5303 105.2265 48.1731 0.0000 175.7688 139 R 3.9077 7.8999 119.8021 58.8191 30.1281 179.0217 140 I 3.9971 8.0272 120.0371 64.3101 37.0028 178.6120 141 V 3.6688 8.1546 118.9973 65.9570 31.4153 177.8820 142 A 3.2414 7.9160 120.5200 54.7618 18.1608 179.1835 143 F 3.9608 8.3253 119.3792 61.6288 39.3735 177.4394 144 F 3.4807 8.1148 117.0662 60.4224 38.5916 177.8308 145 S 4.5353 8.2817 115.0803 61.6312 62.5949 176.4541 146 F 3.8021 8.5328 123.7435 61.1240 38.9938 177.3156 147 G 3.5323 7.9441 105.3296 47.7254 0.0000 175.7896 148 G 3.8006 8.5289 108.3021 47.6261 0.0000 175.6756 149 A 4.1292 8.6995 123.6543 54.6531 18.3790 179.5512 150 L 3.7589 7.8323 119.3454 58.3158 42.1321 178.9735 151 C 4.0252 8.1036 116.7606 62.6849 28.0182 176.1892 152 V 3.0479 7.6532 119.7374 65.9026 31.2296 177.6154 153 E 3.8728 8.1381 118.9126 59.4145 29.3732 179.0068 154 S 4.0737 7.9524 115.2082 61.4488 62.8085 176.8539 155 V 3.4957 7.6221 120.9179 66.0934 31.0780 177.8849 156 D 4.5298 7.9924 117.2659 56.5790 40.6827 177.8601 157 K 4.2783 7.5531 116.4702 55.2882 32.7413 176.0035 158 E 3.7855 8.4543 118.1594 58.2107 27.5749 174.2456 159 M 4.8712 8.2284 113.8356 53.9750 33.3428 177.8755 160 Q 3.9811 7.9970 118.4902 59.1813 29.2674 177.9811 161 V 3.6488 7.6351 113.7244 63.6379 31.5239 177.6303 162 L 3.6942 7.8272 118.5231 56.2744 41.4404 179.0661 163 V 3.5105 7.3453 119.0173 66.1531 31.4734 178.1636 164 S 4.3675 7.7820 113.2286 61.2555 62.8194 176.2443 165 R 3.4768 7.1226 121.0381 59.1726 29.7759 178.3766 166 I 3.0556 7.9404 119.9892 64.2290 37.0470 178.2048 167 A 4.0264 7.9290 121.4376 55.2586 18.1195 179.9507 168 S 4.0899 7.8121 113.4451 61.5406 62.9379 176.8518 169 W 4.5252 8.1928 121.8232 60.2694 28.6655 178.5181 170 M 4.6825 8.4449 118.4240 58.4512 31.3917 178.7121 171 A 4.1531 8.2158 120.9722 55.4302 18.4920 179.8187 172 T 3.8203 8.4200 114.6067 67.0152 68.4078 176.2396 173 Y 4.0592 8.9388 121.8279 60.6421 38.8813 177.8245 174 L 3.9072 8.6618 121.6659 58.1456 42.0144 178.5461 175 N 4.3147 8.1348 115.7743 56.8233 39.0219 176.1267 176 D 4.2461 8.0733 118.4360 57.4144 41.4914 177.2874 177 H 4.3408 7.7537 115.5563 56.9630 29.3850 177.0086 178 L 4.0973 7.3079 119.8314 56.5845 42.3865 178.0269 179 E 3.8863 8.4753 119.5959 58.9383 29.1910 177.0531 180 P 4.1685 0.0000 0.0000 65.4235 31.6506 178.0167 181 W 3.9810 7.9656 126.4360 60.2004 30.6894 177.7524 182 I 3.2344 7.8432 119.8369 64.6755 36.3729 178.5218 183 Q 3.9285 8.1855 117.2349 58.5945 28.5575 177.9600 184 E 4.0528 7.4355 118.5002 57.2776 29.7319 176.4940 185 N 4.6009 7.1821 115.4267 53.5590 39.3023 175.0605 186 G 4.4641 8.2354 105.0844 45.2461 0.0000 176.0965 187 G 4.0808 8.3979 110.2457 44.6508 0.0000 174.3220 188 W 4.6542 8.5729 116.7180 58.7626 28.9322 178.2660 189 D 4.5095 8.2271 119.6287 57.6961 40.4730 178.4873 190 T 3.9161 7.8732 116.4196 66.2345 68.2790 176.6603 191 F 3.3555 7.6293 121.5950 61.0302 39.2424 177.3631 192 V 3.4492 8.0072 117.8819 66.0385 31.0833 177.5092 193 D 4.2812 7.9496 117.7272 57.4622 40.7377 178.4807 194 L 3.9950 7.3181 117.8041 56.3090 41.9070 177.7478 195 Y 4.5235 7.5939 113.7247 57.0734 39.1976 175.9674 196 G 3.8240 8.8321 115.4103 45.8420 0.0000 173.3428 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 S 8.19 4.46 0.00 4.05 4.12 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 3 Q 8.48 3.76 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 4 S 8.82 4.13 0.00 4.05 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 5 N 8.11 4.33 0.00 3.05 3.02 0.00 0.00 6.62 7.08 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 6 R 7.97 3.89 0.00 2.09 1.92 0.00 3.24 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 7 E 8.14 3.85 0.00 2.17 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 2.23 2.26 0.00 8 L 8.15 3.79 0.00 1.78 1.67 -0.05 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.10 3.88 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.17 0.00 0.00 10 V 7.85 2.98 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 0.37 0.00 0.00 0.66 0.00 0.00 11 D 8.09 4.18 0.00 2.85 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 12 F 8.26 3.98 0.00 2.97 3.24 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 13 L 8.40 4.14 0.00 1.85 2.03 1.08 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.38 4.50 0.00 4.01 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 15 Y 8.03 3.97 0.00 2.97 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 16 K 7.89 3.76 0.00 1.88 1.82 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.84 1.52 7.81 17 L 8.17 4.19 0.00 2.09 2.06 1.05 0.57 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 18 S 8.26 4.53 0.00 3.67 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 19 Q 7.64 3.86 0.00 1.55 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 20 K 7.68 4.50 0.00 2.09 2.00 0.00 1.88 0.00 0.00 1.85 0.00 0.00 3.12 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.59 7.81 21 G 8.16 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 22 Y 8.25 4.56 0.00 3.09 2.88 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 23 S 8.32 4.08 0.00 3.56 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 24 W 6.99 4.93 0.00 3.65 3.41 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 25 S 7.68 4.17 0.00 3.71 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 26 Q 7.67 4.07 0.00 1.53 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.98 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 27 F 7.11 4.67 0.00 3.12 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 28 S 7.94 4.11 0.00 3.94 3.77 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 29 D 8.30 4.65 0.00 2.73 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 *81 I 7.91 5.04 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.65 0.95 0.00 0.00 82 P 0.00 4.46 0.00 2.17 2.12 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 83 M 8.46 4.17 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.82 0.00 84 A 7.87 3.90 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 85 A 7.92 3.91 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 86 V 7.63 3.60 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 1.02 0.00 0.00 87 K 8.12 3.71 0.00 1.86 1.93 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.50 7.81 88 Q 8.32 3.77 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.58 0.00 89 A 8.18 4.02 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 90 L 8.28 4.12 0.00 1.78 1.73 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.14 3.77 0.00 1.60 0.70 0.00 2.74 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.60 0.00 92 E 8.27 4.03 0.00 2.31 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 0.00 2.36 2.32 0.00 93 A 8.38 4.34 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 94 G 8.62 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 95 D 8.32 4.55 0.00 3.04 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 96 E 8.57 4.01 0.00 2.20 2.44 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 2.50 2.59 0.00 97 F 8.94 4.36 0.00 3.35 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 98 E 8.65 4.38 0.00 2.24 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 2.68 2.86 0.00 99 L 7.72 4.15 0.00 1.79 1.70 0.95 1.12 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 0.00 100 R 7.11 4.33 0.00 1.65 1.77 0.00 2.56 0.00 0.00 3.02 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.50 0.00 101 Y 7.13 4.56 0.00 2.24 2.42 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 0.00 102 R 8.23 4.50 0.00 1.88 1.93 0.00 3.23 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 103 R 8.07 4.01 0.00 1.79 1.92 0.00 3.21 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 104 A 8.36 4.01 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 0.00 105 F 7.38 3.95 0.00 3.60 3.31 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 0.00 106 S 8.14 4.23 0.00 3.94 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 0.00 107 D 8.10 4.35 0.00 2.79 2.73 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 0.00 0.00 0.00 108 L 8.03 3.99 0.00 1.83 1.61 0.86 0.03 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 0.00 109 T 8.52 4.16 4.54 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 0.00 0.00 0.00 1.51 0.00 0.00 110 S 7.87 4.16 0.00 4.16 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 8.13 4.18 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.69 0.00 112 L 8.04 4.06 0.00 2.00 1.81 1.26 1.17 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 0.00 113 H 8.68 4.06 0.00 3.37 3.61 0.00 5.62 0.00 0.00 0.00 0.00 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.43 3.85 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.01 0.94 0.00 0.00 115 T 8.83 4.77 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 1.33 0.00 0.00 116 P 0.00 4.42 0.00 2.07 2.14 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 117 G 7.80 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 0.00 118 T 7.60 3.91 4.64 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 1.36 0.00 0.00 119 A 8.23 4.88 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 0.00 120 Y 8.39 2.49 0.00 2.54 2.80 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 0.00 121 Q 8.09 3.86 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 122 S 7.82 4.05 0.00 3.97 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 0.00 123 F 7.50 4.06 0.00 2.73 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.04 3.82 0.00 1.38 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 2.28 2.47 0.00 125 Q 7.58 3.91 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 126 V 7.46 3.57 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 0.88 0.00 0.00 0.97 0.00 0.00 127 V 7.39 3.04 1.19 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 0.24 0.00 0.00 -0.12 0.00 0.00 128 N 8.03 4.76 0.00 2.91 2.86 0.00 0.00 6.30 7.78 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 0.00 129 E 7.50 3.80 0.00 2.01 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 2.21 2.30 0.00 130 L 7.91 3.81 0.00 1.14 0.34 0.58 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.87 4.97 0.00 2.96 2.88 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 0.00 132 R 8.14 3.93 0.00 1.73 1.95 0.00 3.29 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.54 0.00 133 D 8.20 4.70 0.00 2.59 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 0.00 134 G 7.98 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.34 3.80 0.99 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 -0.03 0.00 0.00 0.43 0.00 0.00 136 N 7.58 4.30 0.00 2.54 2.71 0.00 0.00 7.05 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 0.00 137 W 8.55 4.58 0.00 3.73 3.73 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 0.00 0.00 0.00 138 G 8.53 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 0.00 139 R 7.90 3.91 0.00 1.94 1.48 0.00 3.05 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 140 I 8.03 4.00 2.30 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.02 1.29 0.00 0.00 141 V 8.15 3.67 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 1.10 0.00 0.00 0.96 0.00 0.00 142 A 7.92 3.24 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 0.00 143 F 8.33 3.96 0.00 3.20 3.31 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 0.00 144 F 8.11 3.48 0.00 2.79 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 S 8.28 4.54 0.00 4.40 4.51 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 0.00 146 F 8.53 3.80 0.00 1.77 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 0.00 147 G 7.94 3.53 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 0.00 148 G 8.53 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 0.00 149 A 8.70 4.13 1.59 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 0.00 150 L 7.83 3.76 0.00 1.40 1.58 0.76 1.29 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 0.00 151 C 8.10 4.03 0.00 3.17 2.90 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 0.00 152 V 7.65 3.05 2.14 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 0.96 0.00 0.00 0.85 0.00 0.00 153 E 8.14 3.87 0.00 2.13 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 2.30 2.36 0.00 154 S 7.95 4.07 0.00 3.98 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 0.00 155 V 7.62 3.50 1.75 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 1.16 0.00 0.00 0.79 0.00 0.00 156 D 7.99 4.53 0.00 2.81 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 0.00 157 K 7.55 4.28 0.00 1.95 1.83 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.58 7.81 158 E 8.45 3.79 0.00 2.08 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 2.23 2.40 0.00 159 M 8.23 4.87 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.42 0.00 160 Q 8.00 3.98 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 161 V 7.64 3.65 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.87 0.00 0.00 162 L 7.83 3.69 0.00 1.56 1.48 0.84 0.62 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 0.00 163 V 7.35 3.51 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 0.53 0.00 0.00 0.78 0.00 0.00 164 S 7.78 4.37 0.00 4.13 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 0.00 165 R 7.12 3.48 0.00 1.60 1.57 0.00 2.60 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 166 I 7.94 3.06 1.89 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 1.37 0.59 0.82 0.00 0.00 167 A 7.93 4.03 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 0.00 168 S 7.81 4.09 0.00 3.98 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 0.00 169 W 8.19 4.53 0.00 2.94 2.59 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 0.00 170 M 8.44 4.68 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.55 0.00 171 A 8.22 4.15 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 0.00 172 T 8.42 3.82 4.35 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 0.91 0.00 0.00 173 Y 8.94 4.06 0.00 3.66 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 0.00 174 L 8.66 3.91 0.00 2.09 2.13 1.22 0.89 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 0.00 175 N 8.13 4.31 0.00 3.06 2.83 0.00 0.00 7.23 8.07 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 0.00 176 D 8.07 4.25 0.00 2.58 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 0.00 0.00 0.00 177 H 7.75 4.34 0.00 2.37 2.77 0.00 5.69 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.31 4.10 0.00 1.71 1.55 -0.09 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.48 3.89 0.00 2.22 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 2.38 2.44 0.00 180 P 0.00 4.17 0.00 2.01 2.06 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 181 W 7.97 3.98 0.00 3.23 3.09 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 0.00 182 I 7.84 3.23 1.90 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.52 0.40 0.00 0.00 183 Q 8.19 3.93 0.00 1.94 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.64 2.51 0.00 184 E 7.44 4.05 0.00 1.82 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 2.12 2.11 0.00 185 N 7.18 4.60 0.00 1.44 2.16 0.00 0.00 7.17 7.65 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 0.00 186 G 8.24 4.46 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 0.00 187 G 8.40 4.08 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 0.00 0.00 0.00 188 W 8.57 4.65 0.00 3.51 3.33 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 0.00 189 D 8.23 4.51 0.00 2.76 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 0.00 190 T 7.87 3.92 4.52 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 1.28 0.00 0.00 191 F 7.63 3.36 0.00 2.83 3.42 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 0.00 192 V 8.01 3.45 2.25 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 0.97 0.00 0.00 1.12 0.00 0.00 193 D 7.95 4.28 0.00 2.79 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 0.00 194 L 7.32 4.00 0.00 1.28 1.12 0.54 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 195 Y 7.59 4.52 0.00 2.08 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 0.00 196 G 8.83 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.