NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 33 T 4.5017 8.0327 117.3752 63.1467 70.0131 174.0437 34 L 3.7832 8.8641 129.2433 57.3157 41.9142 175.6517 35 E 4.0031 8.2954 119.0001 59.3426 30.2142 177.4070 36 D 4.3545 8.1595 117.5713 57.6500 41.1696 177.7739 37 D 4.3568 7.9737 118.8211 57.5877 40.7685 179.0051 38 L 4.0544 8.4422 119.7848 57.4736 41.5515 178.8087 39 N 4.3579 8.5235 117.4485 57.1585 38.9595 176.8385 40 E 4.0857 8.3101 119.6173 59.4136 29.3863 179.4650 41 T 3.5414 8.0731 116.0891 66.6697 68.4500 176.4005 42 N 4.5492 8.4760 118.4717 56.3389 38.6315 177.6477 43 K 3.9814 8.5590 120.3682 59.6346 32.0867 178.7874 44 Y 3.9718 7.8741 119.6396 60.9159 38.7112 177.6732 45 Y 4.4630 8.2718 118.0856 60.9516 37.8476 177.9368 46 L 4.2526 8.3060 122.9730 58.0008 42.0975 178.7751 47 T 3.7571 7.7733 112.8332 64.5896 67.3269 174.1756 48 N 4.6904 7.4371 114.4332 52.1347 38.9047 174.3132 49 Q 3.6112 8.1155 115.8462 57.0276 27.0548 175.2576 50 I 3.9019 7.9186 120.5599 64.1986 37.4694 175.7364 51 A 4.5129 7.3373 119.0834 51.5272 22.7912 175.8579 52 V 4.5919 8.5887 118.2541 61.2149 33.1150 172.7936 53 I 5.1352 8.1981 124.9057 59.4537 40.5198 174.2258 54 H 5.0727 9.0482 123.0788 53.7319 33.1080 172.3714 55 K 4.2957 8.5207 122.1298 55.0143 32.8623 176.5243 56 K 4.2424 8.8182 128.3930 55.5648 32.5491 175.5799 57 P 4.4333 0.0000 0.0000 62.3071 32.1704 176.1777 58 T 3.9631 8.1613 116.2214 62.9941 69.0659 172.9024 59 P 4.5436 0.0000 0.0000 62.7694 32.8547 175.6410 60 V 4.8726 8.1641 115.6301 59.5920 34.8011 174.9251 61 Q 4.2202 8.8532 127.7387 55.5904 30.3615 174.9727 62 I 4.0542 8.3305 127.5411 60.1394 37.1169 175.0359 *78 A 3.7468 8.1567 127.5965 51.9195 19.7280 174.6574 79 Y 4.8804 8.0752 116.2834 55.8771 41.8685 175.5482 80 F 4.9678 8.6780 121.6245 57.8830 39.4935 175.3730 81 K 4.5449 8.5814 123.4046 54.9186 34.5875 175.8803 82 Q 4.3192 8.3705 122.3802 54.4682 29.2727 175.2077 83 S 4.2516 8.5648 120.7555 58.6165 62.9746 173.6857 84 S 4.6103 8.5649 120.0137 58.3509 63.2103 173.1057 85 T 4.5095 7.7743 111.4486 59.3588 71.2978 173.6105 86 T 4.1651 8.1255 111.2787 62.0591 69.2777 173.9795 87 D 4.3949 8.7899 122.0884 55.8932 42.4054 175.6837 88 Y 4.9413 7.5179 116.7066 55.8297 40.8466 174.7511 89 N 5.0691 8.4753 120.1102 51.3427 41.6487 174.0602 90 G 4.2334 7.2769 104.2922 46.1506 0.0000 170.9251 91 I 5.5853 7.9364 119.5759 58.2754 41.2098 174.9480 92 Y 4.8003 8.1578 126.7277 56.9228 41.3677 174.9669 93 K 3.6980 9.4503 128.3232 57.4043 29.5398 175.4900 94 G 4.1438 8.4096 106.6691 45.0586 0.0000 173.8228 95 R 4.7252 7.7758 118.0406 54.7983 32.7197 175.2215 96 Y 4.8300 8.6040 123.5381 57.3833 40.3226 173.9561 97 I 4.9995 8.4302 127.4352 59.5589 40.9029 174.2007 98 D 4.9536 8.8091 125.7521 52.7270 44.8388 173.9931 99 F 5.0954 8.7513 119.7688 56.0317 41.9681 172.2365 100 E 5.2802 8.6286 118.7195 54.5022 33.5021 174.0816 101 A 5.3486 8.9035 123.8079 50.6200 22.2147 175.9436 102 K 4.8898 9.2152 121.2943 54.7462 37.0077 175.2620 103 E 5.3555 8.7979 119.7708 55.1092 32.8561 174.4763 104 T 4.7215 8.6114 114.1705 60.7030 70.7461 173.8214 105 K 4.3250 8.6570 123.6854 56.1948 32.7583 176.8470 106 N 4.3958 8.2889 119.2193 54.0202 39.1494 174.8359 107 K 4.5321 8.7108 123.2639 57.8341 33.3374 177.3071 108 T 4.5925 8.7591 116.1301 64.7585 70.9585 174.4137 109 S 5.1806 8.2879 112.1127 57.4811 66.1758 174.0105 110 F 4.6975 9.4597 124.3974 55.8804 40.6972 173.4935 111 P 4.6016 0.0000 0.0000 62.3988 31.8110 177.7073 112 L 4.3217 9.3803 124.6795 57.6371 41.7437 178.9633 113 Q 4.4907 7.9699 114.6480 57.6548 28.4739 177.0124 114 N 4.2415 7.5205 116.6189 55.3881 38.6980 174.9895 115 F 5.2690 7.9433 116.3818 55.8330 41.3646 174.5460 116 H 5.3656 8.8265 118.3710 53.4254 31.2113 174.9063 117 D 4.3488 8.8792 119.7628 57.8538 40.4288 178.9232 118 H 4.3132 8.0868 116.4371 58.8249 28.6909 177.4101 119 Q 3.9215 7.5193 119.3794 59.0551 28.4700 179.3299 120 I 3.5078 7.1644 119.9846 64.2393 37.2515 177.7754 121 E 3.7679 8.2710 120.5547 59.5234 29.3267 178.2201 122 H 4.1152 8.5221 118.4972 59.7592 29.9360 177.1218 123 M 4.0542 8.2507 120.6296 58.3653 31.7539 178.9496 124 K 4.0727 8.1398 118.8198 59.2847 32.0852 179.4534 125 Q 3.9854 8.1105 118.5678 58.8124 28.7034 178.9565 126 V 3.5844 8.1287 119.7391 65.9645 31.5988 178.2765 127 K 4.0944 8.3014 118.0647 59.4606 31.6885 179.2098 128 A 4.1317 7.9338 120.0227 54.5503 18.2750 178.5902 129 Q 4.2878 7.5238 114.6053 55.0877 29.2257 175.0349 130 D 4.4019 8.1416 118.2689 55.3261 39.8978 173.8859 131 G 4.1749 7.8592 103.6763 45.4035 0.0000 174.4303 132 I 4.2897 8.5387 121.8139 60.1514 38.5145 174.8567 133 C 5.8010 8.7279 127.0869 56.9952 35.3617 172.6482 134 F 5.0879 7.5239 118.6816 56.6778 40.5866 172.4127 135 V 4.7893 8.2004 110.9805 59.6117 36.0152 175.0719 136 I 4.9002 8.7895 123.5361 59.7089 39.8269 174.7191 137 I 4.8087 9.1923 128.2672 59.4644 40.2631 174.4914 138 S 5.1460 8.8979 122.8332 57.1688 63.6886 172.6247 139 A 4.3862 9.1548 127.2925 51.2386 22.8614 175.7037 140 F 4.1459 8.9220 116.9229 59.2210 36.3887 175.7238 141 D 4.4519 8.6208 115.2079 55.0689 38.7639 173.1498 142 Q 4.5989 8.0100 118.0518 53.9144 32.6788 173.9036 143 V 4.9224 7.6273 116.9056 61.6404 34.8515 173.6247 144 Y 5.2013 9.3016 125.1047 56.1794 41.9434 174.2002 145 F 5.0679 9.6188 126.2449 56.6900 41.4705 174.0602 146 L 5.1836 8.6387 129.2073 53.0088 44.3699 175.8650 147 E 4.4144 9.1326 125.8492 56.1777 30.5318 177.9007 148 A 3.4764 8.4603 123.5851 55.3036 18.4186 179.9068 149 D 4.2458 7.9024 116.7003 57.7583 40.9248 179.4051 150 K 4.0086 7.8445 118.1317 59.2853 32.1607 179.0740 151 L 4.3860 7.8950 120.5606 58.0973 41.8033 179.1243 152 F 4.6787 7.8981 118.1817 60.4270 38.3344 176.6300 153 Y 3.8512 8.0226 119.0645 61.0453 38.2494 178.6838 154 F 4.3941 7.8225 116.3359 60.3111 39.0965 177.1726 155 W 4.3385 8.8658 128.2681 60.7664 30.3435 177.7205 156 D 4.4738 8.4864 117.9655 56.2172 40.5192 177.8232 157 R 4.3001 7.3911 114.4094 55.9505 29.5582 178.2347 158 K 4.4565 7.5163 119.2809 59.1084 32.7803 178.6134 159 E 4.1656 7.8306 117.5829 57.7647 30.1687 177.9313 160 K 4.1092 7.8480 118.2172 59.1615 32.0545 177.7239 161 N 4.8594 7.8403 110.9377 52.5109 40.0354 175.0196 162 G 3.8879 7.8256 106.1942 46.0029 0.0000 176.0084 163 R 4.2680 7.5393 120.3932 56.0829 27.8008 176.7357 164 K 4.4206 8.0612 118.8015 56.9118 33.5808 176.1474 165 S 5.2092 7.8300 115.1806 56.6425 67.0955 173.6160 166 I 4.2012 8.4950 123.9187 59.8612 38.0260 176.2033 167 R 4.4045 9.0924 127.2212 55.7706 30.9085 177.6829 168 K 3.1696 8.2565 122.0244 59.8822 31.9280 178.9532 169 D 4.2726 7.8374 118.4602 56.3721 39.2412 178.0854 170 E 4.0107 8.0380 119.5239 59.1624 29.5799 178.9278 171 L 3.8011 8.0909 120.6887 58.1595 41.8868 178.8914 172 E 4.0744 8.1648 117.9374 59.2413 29.4111 178.6251 173 E 4.0558 8.1616 119.1808 58.5195 29.8036 177.9166 174 T 4.3810 7.6925 107.2622 60.7285 70.1198 173.7733 175 A 5.0408 7.3596 122.2374 50.3137 22.6447 174.8738 176 Y 4.6920 9.2043 116.9529 55.4521 40.3432 174.2201 177 P 4.6170 0.0000 0.0000 62.9570 32.0788 175.7041 178 I 4.4420 8.2164 125.1596 59.7942 39.3365 175.6466 179 S 4.3741 8.5016 122.3800 58.3354 63.9106 173.1995 180 L 4.8371 8.5106 124.8236 53.9660 43.3933 176.8869 181 G 3.9108 8.3580 110.0014 45.2792 0.0000 172.3745 182 Y 3.7436 8.7967 119.3094 59.8823 39.1608 176.9955 183 A 3.7090 7.3030 121.4111 50.3153 20.9422 174.0372 184 P 3.6542 0.0000 0.0000 62.4470 32.5302 177.0278 185 R 4.3417 8.2040 118.7314 58.3941 30.0662 176.7423 186 I 4.5806 7.2298 120.7688 59.3869 38.5749 176.4011 187 D 5.1638 8.5507 131.4053 52.6453 37.6990 176.1152 188 Y 4.1985 7.5371 121.1088 59.5231 38.8236 177.9155 189 I 3.2986 7.0370 121.5115 63.8876 36.9328 177.9290 190 S 4.0103 7.7315 114.0796 60.9745 62.1392 176.3091 191 I 3.2988 7.3582 122.2939 64.1123 36.8363 178.0377 192 I 3.7362 7.2406 120.5940 64.3363 36.9265 177.9543 193 E 4.1927 8.4068 120.3070 59.4449 29.3004 178.3240 194 Q 3.8669 7.8895 118.3030 59.5383 29.1572 178.4444 195 L 3.8929 7.5574 117.6027 56.4449 41.7856 177.2141 196 Y 4.4627 7.9545 112.9855 57.0860 40.0125 175.5316 197 F 4.4744 8.2676 123.5083 57.6467 40.1075 174.3313 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 33 T 8.03 4.50 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 1.27 0.00 0.00 34 L 8.86 3.78 0.00 1.77 1.71 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.30 4.00 0.00 2.15 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 2.43 2.47 0.00 36 D 8.16 4.35 0.00 2.84 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 37 D 7.97 4.36 0.00 2.96 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 38 L 8.44 4.05 0.00 1.75 1.73 0.74 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.52 4.36 0.00 2.99 3.04 0.00 0.00 7.19 8.51 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 40 E 8.31 4.09 0.00 1.97 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 2.43 2.44 0.00 41 T 8.07 3.54 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 0.92 0.00 0.00 42 N 8.48 4.55 0.00 3.09 3.15 0.00 0.00 7.09 8.98 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 43 K 8.56 3.98 0.00 1.79 1.89 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.50 7.81 44 Y 7.87 3.97 0.00 2.98 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 45 Y 8.27 4.46 0.00 3.19 2.84 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 0.00 0.00 0.00 0.00 46 L 8.31 4.25 0.00 1.85 1.82 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.77 3.76 4.50 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 1.09 0.00 0.00 48 N 7.44 4.69 0.00 2.51 2.56 0.00 0.00 7.06 7.57 0.00 0.00 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 Q 8.12 3.61 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 50 I 7.92 3.90 1.95 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 1.26 0.67 0.79 0.00 0.00 51 A 7.34 4.51 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 52 V 8.59 4.59 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 1.17 0.00 0.00 0.98 0.00 0.00 53 I 8.20 5.14 2.12 0.00 0.00 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 1.51 0.94 1.28 0.00 0.00 54 H 9.05 5.07 0.00 3.09 3.17 0.00 5.60 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.52 4.30 0.00 1.47 1.56 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.62 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.96 0.37 7.81 56 K 8.82 4.24 0.00 1.50 1.65 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.39 7.81 57 P 0.00 4.43 0.00 2.17 2.04 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 58 T 8.16 3.96 4.31 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 1.15 0.00 0.00 59 P 0.00 4.54 0.00 2.12 1.99 0.00 3.69 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 60 V 8.16 4.87 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 0.75 0.00 0.00 0.93 0.00 0.00 61 Q 8.85 4.22 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 62 I 8.33 4.05 1.85 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 1.32 0.92 0.88 0.00 0.00 *78 A 8.16 3.75 1.14 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 0.00 0.00 79 Y 8.08 4.88 0.00 2.89 2.78 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 80 F 8.68 4.97 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 81 K 8.58 4.54 0.00 1.70 1.80 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.44 7.81 82 Q 8.37 4.32 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.96 0.00 0.00 0.00 0.00 0.00 2.18 2.36 0.00 83 S 8.56 4.25 0.00 3.86 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 84 S 8.56 4.61 0.00 3.90 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 85 T 7.77 4.51 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 1.05 0.00 0.00 86 T 8.13 4.17 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 1.22 0.00 0.00 87 D 8.79 4.39 0.00 2.48 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 0.00 0.00 0.00 88 Y 7.52 4.94 0.00 1.43 1.55 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 89 N 8.48 5.07 0.00 2.46 2.77 0.00 0.00 6.36 7.87 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 90 G 7.28 4.23 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 0.00 91 I 7.94 5.59 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.43 0.98 0.00 0.00 92 Y 8.16 4.80 0.00 2.92 2.74 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 93 K 9.45 3.70 0.00 1.05 1.43 0.00 0.61 0.00 0.00 1.05 0.00 0.00 2.43 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.69 0.21 7.81 94 G 8.41 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 0.00 0.00 0.00 95 R 7.78 4.73 0.00 1.97 1.97 0.00 3.37 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.11 0.00 96 Y 8.60 4.83 0.00 3.11 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 97 I 8.43 5.00 1.98 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 1.36 1.11 1.34 0.00 0.00 98 D 8.81 4.95 0.00 2.36 2.40 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 99 F 8.75 5.10 0.00 2.32 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 0.00 100 E 8.63 5.28 0.00 2.09 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 2.53 2.68 0.00 101 A 8.90 5.35 1.26 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 0.00 0.00 0.00 102 K 9.22 4.89 0.00 1.74 1.76 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.38 0.94 7.81 103 E 8.80 5.36 0.00 2.03 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 2.18 2.27 0.00 104 T 8.61 4.72 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 1.21 0.00 0.00 105 K 8.66 4.32 0.00 1.78 1.83 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.35 7.81 106 N 8.29 4.40 0.00 2.64 2.98 0.00 0.00 7.12 6.51 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 0.00 107 K 8.71 4.53 0.00 1.85 1.92 0.00 1.86 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.44 7.81 108 T 8.76 4.59 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 1.22 0.00 0.00 109 S 8.29 5.18 0.00 3.99 3.84 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 0.00 0.00 0.00 0.00 110 F 9.46 4.70 0.00 3.09 3.03 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 0.00 111 P 0.00 4.60 0.00 1.89 1.80 0.00 3.05 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 112 L 9.38 4.32 0.00 1.85 2.00 1.09 1.10 0.00 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 0.00 113 Q 7.97 4.49 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.10 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 114 N 7.52 4.24 0.00 2.13 2.50 0.00 0.00 6.83 7.72 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 0.00 115 F 7.94 5.27 0.00 3.28 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 0.00 116 H 8.83 5.37 0.00 3.36 3.45 0.00 5.27 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.88 4.35 0.00 2.77 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 0.00 118 H 8.09 4.31 0.00 3.23 3.49 0.00 5.65 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 0.00 119 Q 7.52 3.92 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.46 2.08 0.00 120 I 7.16 3.51 1.41 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 -0.36 0.58 0.00 0.00 121 E 8.27 3.77 0.00 2.12 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 2.31 2.35 0.00 122 H 8.52 4.12 0.00 3.37 3.51 0.00 5.84 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 0.00 123 M 8.25 4.05 0.00 2.27 2.41 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.53 0.00 124 K 8.14 4.07 0.00 1.58 1.60 0.00 1.35 0.00 0.00 1.28 0.00 0.00 2.32 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.30 1.00 7.81 125 Q 8.11 3.99 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 126 V 8.13 3.58 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 1.23 0.00 0.00 0.92 0.00 0.00 127 K 8.30 4.09 0.00 2.16 2.00 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.79 1.93 7.81 128 A 7.93 4.13 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 0.00 129 Q 7.52 4.29 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 130 D 8.14 4.40 0.00 2.83 2.78 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 0.00 131 G 7.86 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 0.00 132 I 8.54 4.29 1.99 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.41 0.72 0.00 0.00 133 C 8.73 5.80 0.00 3.01 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 7.52 5.09 0.00 2.39 2.62 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 0.00 135 V 8.20 4.79 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 0.37 0.00 0.00 0.84 0.00 0.00 136 I 8.79 4.90 1.80 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 1.13 0.43 0.88 0.00 0.00 137 I 9.19 4.81 1.73 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.63 0.30 0.00 0.00 138 S 8.90 5.15 0.00 3.89 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 0.00 139 A 9.15 4.39 0.20 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 0.00 140 F 8.92 4.15 0.00 3.42 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 0.00 141 D 8.62 4.45 0.00 2.90 2.79 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 0.00 142 Q 8.01 4.60 0.00 1.88 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.77 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 143 V 7.63 4.92 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 1.09 0.00 0.00 0.89 0.00 0.00 144 Y 9.30 5.20 0.00 2.91 2.79 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 0.00 145 F 9.62 5.07 0.00 3.03 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 0.00 146 L 8.64 5.18 0.00 1.79 1.47 1.09 0.88 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 0.00 147 E 9.13 4.41 0.00 2.19 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 2.76 2.76 0.00 148 A 8.46 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 149 D 7.90 4.25 0.00 2.70 2.79 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 0.00 150 K 7.84 4.01 0.00 1.98 1.96 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.49 7.81 151 L 7.89 4.39 0.00 1.74 1.59 1.07 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 152 F 7.90 4.68 0.00 3.33 3.03 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 0.00 153 Y 8.02 3.85 0.00 3.01 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 0.00 154 F 7.82 4.39 0.00 3.35 3.26 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 0.00 155 W 8.87 4.34 0.00 3.76 3.39 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 0.00 156 D 8.49 4.47 0.00 2.76 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 0.00 157 R 7.39 4.30 0.00 1.94 1.87 0.00 2.77 0.00 0.00 3.16 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.70 0.00 158 K 7.52 4.46 0.00 1.98 2.13 0.00 1.13 0.00 0.00 0.92 0.00 0.00 2.26 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 1.08 7.81 159 E 7.83 4.17 0.00 1.91 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 2.15 2.18 0.00 160 K 7.85 4.11 0.00 1.66 1.84 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.37 7.81 161 N 7.84 4.86 0.00 2.65 2.76 0.00 0.00 6.97 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 0.00 162 G 7.83 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 0.00 163 R 7.54 4.27 0.00 1.88 1.97 0.00 3.31 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 164 K 8.06 4.42 0.00 1.68 1.78 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.63 7.81 165 S 7.83 5.21 0.00 3.72 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 8.50 4.20 1.80 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 0.37 0.85 0.14 0.00 0.00 167 R 9.09 4.40 0.00 1.97 1.85 0.00 3.18 0.00 0.00 3.43 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 168 K 8.26 3.17 0.00 0.97 1.43 0.00 1.40 0.00 0.00 1.10 0.00 0.00 2.68 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.07 0.38 7.81 169 D 7.84 4.27 0.00 2.95 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 0.00 170 E 8.04 4.01 0.00 2.18 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 2.65 2.45 0.00 171 L 8.09 3.80 0.00 1.63 1.53 0.67 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 172 E 8.16 4.07 0.00 2.05 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 2.48 2.56 0.00 173 E 8.16 4.06 0.00 2.01 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 2.29 2.28 0.00 174 T 7.69 4.38 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 1.33 0.00 0.00 175 A 7.36 5.04 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 0.00 176 Y 9.20 4.69 0.00 2.94 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 0.00 177 P 0.00 4.62 0.00 1.91 2.01 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 178 I 8.22 4.44 1.87 0.00 0.00 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 1.32 0.85 0.95 0.00 0.00 179 S 8.50 4.37 0.00 3.74 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 0.00 180 L 8.51 4.84 0.00 1.49 1.60 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 181 G 8.36 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 0.00 182 Y 8.80 3.74 0.00 2.96 3.03 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 0.00 183 A 7.30 3.71 0.90 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 0.00 0.00 184 P 0.00 3.65 0.00 1.63 1.22 0.00 3.51 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.89 0.00 185 R 8.20 4.34 0.00 1.75 1.91 0.00 3.26 0.00 0.00 3.27 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.35 0.00 186 I 7.23 4.58 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.58 0.98 0.00 0.00 187 D 8.55 5.16 0.00 2.75 2.52 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 0.00 188 Y 7.54 4.20 0.00 3.25 3.16 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 0.00 189 I 7.04 3.30 1.07 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 -0.36 0.09 0.00 0.00 190 S 7.73 4.01 0.00 3.80 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 0.00 191 I 7.36 3.30 1.24 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 1.44 0.74 -0.55 0.00 0.00 192 I 7.24 3.74 1.86 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.46 1.14 0.00 0.00 193 E 8.41 4.19 0.00 2.21 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 2.32 2.40 0.00 194 Q 7.89 3.87 0.00 1.93 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.14 2.29 0.00 195 L 7.56 3.89 0.00 1.28 0.99 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 196 Y 7.95 4.46 0.00 2.94 2.38 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 0.00 197 F 8.27 4.47 0.00 3.31 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 * Residues marked with a * may have inaccurate shift predictions.