NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 L 4.3130 8.0433 120.6240 55.1322 44.0873 178.9194 1 H 3.9546 8.0388 115.7233 56.9910 28.5423 176.0842 2 S 4.2482 8.2112 115.6119 60.8549 63.6477 175.9008 3 Q 3.8880 8.0058 122.7698 59.1178 28.9676 177.8554 4 A 4.0301 8.7539 122.6115 55.0151 18.2940 179.3544 5 N 4.3759 8.0086 115.3305 56.0275 38.4462 177.2684 6 L 3.7669 7.5285 122.1255 57.7060 42.2076 178.3029 7 M 3.8185 7.7895 118.1911 58.7814 32.2136 178.2597 8 R 3.8168 7.9564 118.6544 59.0619 30.1780 178.3448 9 L 3.2283 7.3249 119.9138 57.8919 42.1257 179.1174 10 K 2.7068 7.3986 118.4467 58.7581 31.7757 179.1640 11 S 3.9606 7.8527 113.5600 61.4564 62.1089 175.7866 12 D 4.3417 7.5083 120.1036 57.4584 40.7305 178.8396 13 L 4.0933 7.2635 117.5922 57.9045 41.7846 179.3274 14 F 4.9385 7.4554 114.9673 58.5675 40.3246 175.7663 15 N 4.8031 7.8704 115.2345 51.0267 38.7135 171.9843 *20 Y 4.4863 7.6239 119.0342 56.8150 39.5839 172.6962 21 P 4.4623 0.0000 0.0000 62.7525 31.5767 177.1855 22 G 3.1422 5.5742 106.4690 44.3745 0.0000 172.1777 23 P 4.3806 0.0000 0.0000 62.5402 31.6756 175.2165 24 T 4.7486 7.9948 108.8096 59.5535 72.0405 174.7384 25 K 4.3917 8.5396 121.0725 58.9783 32.3510 177.4887 26 D 4.5668 8.0915 117.6908 56.2509 41.7443 176.2777 27 D 4.8972 8.1812 118.5240 51.8924 40.7645 172.7429 28 P 5.0389 0.0000 0.0000 61.7382 33.6093 176.5649 29 L 4.7656 8.7892 120.5575 53.7821 45.8259 174.5958 30 T 5.0655 8.6405 121.7388 61.8732 70.7888 173.6047 31 V 4.7851 8.7562 126.8499 61.5860 34.0122 174.3002 32 T 5.0811 8.9909 125.1311 62.3104 70.2512 173.8342 33 L 5.6361 8.1873 125.5435 52.1611 45.1230 176.2494 34 G 4.2157 8.0223 107.4025 44.9058 0.0000 171.3106 35 F 5.1464 9.4506 121.3280 55.5887 42.5036 174.7329 36 T 4.7476 8.6217 120.0466 61.5744 70.3878 173.1929 37 L 4.5851 8.2553 130.1332 54.9569 42.1295 176.3909 38 Q 4.4820 9.1643 126.1148 57.4241 30.6783 175.5949 39 D 4.3499 7.7495 115.3956 53.1546 44.8361 174.7252 40 I 4.6094 8.6183 126.9702 60.7621 36.9366 175.8500 41 V 4.0055 8.5986 128.7308 65.1767 32.2967 176.5911 42 K 4.8616 7.9775 120.3672 54.9270 35.8054 174.3269 43 A 4.7973 8.9176 128.7394 50.1873 21.3279 174.8396 44 D 4.8536 9.1323 124.2710 52.8112 42.4513 176.8466 45 S 4.6336 8.8178 120.5407 58.9279 63.7491 175.1020 46 S 4.4406 8.2571 116.1023 59.7586 63.3707 174.8267 47 T 4.3899 7.7067 107.6190 60.1367 70.4371 172.9936 48 N 4.3054 7.9369 119.2538 53.6571 36.6699 173.2764 49 E 4.9584 7.4950 116.2129 54.4048 34.0834 176.9206 50 V 4.7322 7.9599 123.1855 61.0713 35.1217 173.6453 51 D 5.6498 9.0105 126.7846 52.6545 43.3158 175.2540 52 L 5.3577 9.3302 123.2915 52.9466 45.4479 175.4146 53 V 4.8626 8.9885 122.7985 61.3709 33.8708 174.1061 54 Y 5.4084 8.1499 124.6731 56.1145 42.0027 172.8956 55 Y 5.3438 8.5105 117.7075 55.1753 41.6816 174.3766 56 E 4.5218 8.9699 122.2710 54.3084 32.3582 174.4691 57 Q 4.5750 8.7489 130.2293 55.8302 30.4708 174.4716 58 Q 5.3133 9.3451 125.9197 54.2897 32.1463 174.9152 59 R 5.2809 9.0363 121.7670 54.4559 34.7736 174.2987 60 W 5.6471 8.1953 118.3875 55.7656 32.3752 173.0159 61 K 4.9647 8.6910 120.4187 54.8167 34.8734 174.9139 62 L 4.6719 8.6842 127.0109 52.8170 44.1279 177.7299 63 N 4.3746 8.8289 120.8440 56.0870 38.7943 177.0473 64 S 4.3501 7.9364 111.0124 59.9939 63.3047 174.3823 65 L 4.8656 7.7099 120.5604 54.9478 42.7261 175.9389 66 M 4.7450 7.9056 119.1184 54.9616 32.8498 175.5392 67 W 5.2528 8.5493 118.2953 55.6872 32.2288 173.5678 68 D 4.7635 9.0666 120.1511 52.0529 41.2257 174.9679 69 P 4.7746 0.0000 0.0000 65.9523 31.5980 178.6152 70 N 4.4957 8.3829 114.3969 56.0925 38.5728 175.8813 71 E 4.0759 8.1640 116.0939 57.8425 30.1850 176.1442 72 Y 4.7310 7.2557 117.1159 57.5932 38.9210 175.3986 73 G 4.1519 8.7915 102.0547 46.9634 0.0000 173.7262 74 N 4.2617 8.9492 114.0869 53.9351 38.1168 173.6101 75 I 4.0413 7.7863 117.4979 61.3484 37.4532 175.9359 76 T 4.6505 8.5741 115.2712 62.4796 70.7778 173.6139 77 D 5.5072 8.2720 119.4431 53.1095 42.1233 174.5848 78 F 5.1051 8.5654 113.2780 55.6359 41.5435 173.7118 79 R 4.7669 8.7540 119.8896 56.6546 31.0114 175.8104 80 T 4.8535 9.1550 117.0078 60.1982 71.7324 172.7825 81 S 4.5460 8.9289 121.2364 58.7829 62.7017 175.2508 82 A 3.7760 9.0235 129.1850 54.7179 18.3423 179.6699 83 A 4.0807 7.5446 117.8567 54.9144 18.5398 178.4301 84 D 4.3011 7.6522 114.5293 55.5660 41.0398 175.7922 85 I 4.6904 6.8675 110.1602 58.0457 40.7663 174.6227 86 W 4.3789 8.8897 130.9313 57.2143 31.2170 175.2872 87 T 3.9430 7.0032 114.4704 58.3828 71.1698 171.9267 88 P 3.6044 0.0000 0.0000 62.6012 32.5063 175.8167 89 D 4.7433 8.2205 119.5343 53.2440 38.8381 176.6089 90 I 4.3764 7.5871 119.1442 62.7019 38.3087 177.3499 91 T 4.9114 9.4228 123.5694 61.4525 72.7545 173.1694 92 A 3.8945 8.7139 127.5510 51.8573 18.4220 176.8932 93 Y 4.3606 9.1168 125.9502 59.4805 39.8481 177.1615 94 S 4.8000 7.8582 113.3228 57.6233 63.8341 173.9893 95 S 4.8254 8.0792 115.0238 59.7724 63.2758 173.6936 96 T 4.5228 8.6030 110.9018 61.5153 70.1114 174.2455 97 R 4.7149 7.5493 119.4523 53.3958 34.1926 173.0302 98 P 4.3154 0.0000 0.0000 62.5031 31.9311 176.6663 99 V 3.8962 8.2189 121.9690 63.2966 32.4157 175.0823 100 Q 4.4944 8.7090 127.0811 54.3661 30.3320 174.9161 101 V 4.2245 8.3888 125.2712 62.6701 31.7591 175.5432 102 L 4.6887 8.9159 127.8261 54.7138 42.8144 176.3581 103 S 4.8612 7.7588 112.1963 55.1846 66.2357 172.3091 104 P 4.3582 0.0000 0.0000 63.4032 31.9388 177.5981 105 Q 4.8254 8.4811 122.5498 54.8041 27.2427 173.6978 106 I 4.9951 7.9589 119.5554 59.2952 41.0545 175.2254 107 A 4.9783 9.2051 128.1360 50.2209 22.7923 175.1148 108 V 4.6134 8.3408 118.4451 61.2048 34.3062 174.3437 109 V 4.5012 8.0335 128.2913 61.7140 33.1509 174.9168 110 T 4.9439 8.5108 124.9873 61.9114 70.5412 175.7648 111 H 2.0000 8.4158 119.9548 57.2742 28.3262 176.5902 112 D 4.2675 7.1404 117.5081 53.2510 39.5615 177.1027 113 G 3.9091 8.2084 110.0835 45.5444 0.0000 173.7314 114 S 4.5833 7.7553 114.8875 58.1033 64.7841 173.5004 115 V 4.5414 8.3795 121.4267 61.1355 34.8572 173.7810 116 M 5.0627 8.4362 126.0688 53.6959 35.6624 173.9017 117 F 5.4052 9.0785 126.8774 56.7263 43.2200 173.7551 118 I 4.9446 8.0219 125.4299 57.7026 37.0475 172.4373 119 P 4.1848 0.0000 0.0000 62.3245 33.0363 176.6728 120 A 4.9143 8.8526 126.1533 51.6517 20.3751 176.2380 121 Q 4.7544 8.8182 119.7001 54.1483 33.8669 173.8568 122 R 4.8977 8.8120 123.6756 54.6613 32.2918 174.5230 123 L 5.1424 8.9284 128.1536 53.4568 45.3255 174.9421 124 S 5.5188 8.8046 122.3966 57.3678 64.9531 173.1767 125 F 5.4932 8.8844 118.5369 55.0777 42.0786 173.5764 126 M 4.5838 8.7618 119.8269 55.5053 32.1991 175.7934 127 C 4.5792 8.7003 123.3559 55.6812 47.8413 172.3587 128 D 4.9258 8.7829 127.0694 52.8308 40.7265 173.4071 129 P 4.5842 0.0000 0.0000 62.9179 31.6143 175.9586 130 T 3.9362 7.6683 115.9127 66.0448 68.9601 174.5989 131 G 3.9554 8.9106 113.7377 45.1061 0.0000 175.5178 132 V 3.5143 7.6829 119.8680 63.9555 31.4206 176.6886 133 D 5.0714 7.8883 119.3406 53.1462 39.8796 175.6241 134 S 4.7689 7.5507 112.6203 57.0676 66.2618 173.4805 135 E 4.0623 8.6566 120.6746 58.9576 29.5118 177.5761 136 E 3.9647 8.1327 117.3726 56.7760 29.9437 177.4632 137 G 3.6254 7.5485 105.9541 44.5794 0.0000 172.0672 138 A 4.5931 8.1907 120.7100 50.7941 21.4536 176.5681 139 T 5.2157 8.0078 114.4655 62.3354 72.2191 174.4033 140 C 5.2912 9.6525 121.9813 55.7974 45.5441 172.7343 141 A 5.4760 8.6748 121.0139 50.6970 22.2218 176.1604 142 V 4.4424 8.5587 120.3240 60.0081 35.0645 173.9224 143 K 5.0878 8.6242 123.7370 55.2041 35.3906 174.9361 144 F 5.3892 8.7705 120.8555 56.0814 42.5068 174.5708 145 G 4.5129 8.8483 108.0806 45.4854 0.0000 172.3799 146 S 4.9775 8.9529 115.4586 58.2684 62.3821 174.0079 147 W 4.2024 9.1272 135.0000 60.1214 30.5845 177.1583 148 V 4.3170 8.3151 107.6948 60.9992 32.1113 174.8703 149 Y 4.6709 8.1498 118.9060 55.8590 39.7384 176.1099 150 S 3.1462 8.3695 119.5910 56.5730 64.3553 175.0324 151 G 3.7047 8.5313 109.7799 49.2262 0.0000 174.8555 152 F 4.3287 8.1016 118.1340 59.0727 39.6722 176.5064 153 E 4.6437 8.7739 119.7531 57.1465 32.1394 176.1640 154 I 4.9792 7.6295 119.5928 59.4986 40.6051 174.3620 155 D 4.9014 9.2176 127.0238 52.7172 43.6988 174.8187 156 L 5.4348 8.4080 121.9982 53.0451 44.8342 175.9532 157 K 4.9197 8.8931 120.6069 54.9267 36.7517 175.3112 158 T 5.0519 8.4023 111.2622 60.2629 71.2343 173.6940 159 D 4.5621 8.7961 122.0328 56.5052 41.5816 176.7181 160 T 4.6817 7.4370 110.9540 60.5374 70.5920 172.5993 161 D 5.5023 8.5056 123.8102 53.1330 41.0045 175.2486 162 Q 4.7238 8.0336 119.9501 54.6333 29.6610 175.9547 163 V 3.7527 8.1727 125.2911 62.7201 32.5510 175.1083 164 D 4.4733 9.0649 127.9135 54.3622 41.9680 176.2265 165 L 4.8351 8.5326 125.0262 54.4630 42.4411 178.4452 166 S 4.2918 8.5108 114.8206 60.5605 63.2355 175.2588 167 S 4.7585 7.9555 116.1929 58.1898 63.1281 172.6979 168 Y 4.3874 7.7782 122.7154 57.1125 39.0667 174.9096 169 Y 4.2033 8.4141 128.6087 57.7612 39.0411 176.9122 170 A 4.0684 8.5675 130.4326 54.3213 18.7646 177.5729 171 S 4.4473 5.8100 111.4961 57.8009 63.7056 174.4741 172 S 4.4738 6.9081 114.2644 58.0641 62.9542 174.1587 173 K 4.0004 8.6698 123.8757 58.6327 32.9662 176.2487 174 Y 5.3497 7.8846 117.5140 56.0864 40.3373 175.2632 175 E 4.5813 9.4293 125.9045 55.3666 31.7110 174.8338 176 I 4.5204 7.9960 127.0038 60.4332 37.5728 175.6263 177 L 4.3783 9.2052 128.8795 57.4781 42.3635 177.4151 178 S 4.6876 7.8291 110.0743 57.6631 66.4830 174.3182 179 A 5.1056 8.2880 122.8241 51.2999 21.9797 175.2927 180 T 5.1764 8.7902 112.6520 60.0536 73.0620 173.2372 181 Q 4.9126 9.2202 120.1431 54.9858 31.7180 174.1095 182 T 4.9457 8.8423 120.5470 61.2471 72.4811 173.5010 183 R 4.6107 8.7585 127.0485 56.6585 30.9348 175.3688 184 Q 4.7432 9.5870 124.0178 54.2359 33.9529 174.0869 185 V 4.8266 8.2649 119.6424 61.5154 34.0467 174.5754 186 Q 4.5779 8.9926 125.4990 54.8300 33.5937 173.6632 187 H 5.1746 8.4435 117.8721 54.9349 30.8092 174.4214 188 Y 4.5895 8.2782 117.3293 55.9013 41.4790 176.7874 189 S 4.1838 9.0258 119.4427 61.9579 63.1415 175.0757 190 C 4.4521 8.2336 113.5262 57.9308 41.5587 174.5701 191 C 5.2059 8.0322 115.5483 54.4347 43.8226 172.5176 192 P 4.2826 0.0000 0.0000 64.7046 31.3660 176.7588 193 E 4.7235 8.0514 115.7196 54.1631 31.2402 174.1027 194 P 4.8456 0.0000 0.0000 63.2701 33.1101 174.5008 195 Y 4.9744 9.4023 118.8903 56.5135 41.0183 174.7922 196 I 4.9762 8.3788 122.8167 60.3342 38.9601 174.7603 197 D 5.2734 9.1813 124.7190 51.7018 43.6908 174.3984 198 V 4.7804 8.8678 119.8394 61.3671 33.8840 173.7951 199 N 4.9906 9.4831 128.5238 52.2595 40.5959 173.4426 200 L 4.7175 8.6988 129.7780 53.9685 43.5988 175.3911 201 V 4.7028 8.4317 128.1033 61.3680 33.3920 174.2696 202 V 4.8361 8.8632 129.1371 61.0876 34.0576 174.3992 203 K 5.2733 9.2801 127.4769 54.6374 34.7915 175.1653 204 F 5.5431 8.8143 119.3599 55.6538 41.7771 173.3692 205 R 5.0793 8.9657 115.7249 54.2399 33.4727 174.0251 206 E 4.5365 9.3452 120.2613 56.3592 29.9965 177.3093 207 R 3.9087 8.7085 124.8372 57.1994 30.8020 176.6089 208 R 4.2021 7.8487 121.3102 56.4590 30.2063 176.2566 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 0 L 8.04 4.31 0.00 1.66 1.67 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 1 H 8.04 3.95 0.00 3.26 3.33 0.00 5.61 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 2 S 8.21 4.25 0.00 4.07 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 3 Q 8.01 3.89 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 4 A 8.75 4.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.01 4.38 0.00 2.97 3.07 0.00 0.00 6.55 6.59 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 6 L 7.53 3.77 0.00 1.76 1.68 0.52 0.78 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 7 M 7.79 3.82 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 8 R 7.96 3.82 0.00 2.10 1.97 0.00 3.16 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 9 L 7.32 3.23 0.00 1.11 1.18 -0.82 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.40 2.71 0.00 1.47 1.41 0.00 1.19 0.00 0.00 1.24 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.30 0.39 7.81 11 S 7.85 3.96 0.00 3.86 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 12 D 7.51 4.34 0.00 2.69 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 13 L 7.26 4.09 0.00 0.97 1.63 0.78 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.46 4.94 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.87 4.80 0.00 2.77 2.74 0.00 0.00 6.87 6.84 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 *20 Y 7.62 4.49 0.00 2.98 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 21 P 0.00 4.46 0.00 2.10 2.04 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 22 G 5.57 3.14 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 23 P 0.00 4.38 0.00 2.01 1.75 0.00 3.08 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.37 0.00 24 T 7.99 4.75 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 1.18 0.00 0.00 25 K 8.54 4.39 0.00 1.75 1.89 0.00 1.47 0.00 0.00 0.70 0.00 0.00 2.49 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.51 7.81 26 D 8.09 4.57 0.00 2.71 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 27 D 8.18 4.90 0.00 2.64 2.57 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 0.00 0.00 0.00 0.00 28 P 0.00 5.04 0.00 2.07 2.26 0.00 3.33 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.82 0.00 29 L 8.79 4.77 0.00 1.61 1.38 0.97 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.64 5.07 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 1.25 0.00 0.00 31 V 8.76 4.79 2.18 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 1.15 0.00 0.00 1.03 0.00 0.00 32 T 8.99 5.08 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 1.24 0.00 0.00 33 L 8.19 5.64 0.00 1.46 1.26 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.02 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 0.00 0.00 0.00 0.00 35 F 9.45 5.15 0.00 2.86 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 36 T 8.62 4.75 3.00 0.00 0.00 0.00 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1.94 2.45 0.00 5.45 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 D 7.14 4.27 0.00 2.59 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 0.00 0.00 0.00 113 G 8.21 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 0.00 114 S 7.76 4.58 0.00 3.77 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 0.00 115 V 8.38 4.54 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 0.00 0.00 0.33 0.00 0.00 0.67 0.00 0.00 116 M 8.44 5.06 0.00 2.01 1.71 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.41 0.00 117 F 9.08 5.41 0.00 3.12 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.02 4.94 1.73 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.86 0.88 0.00 0.00 119 P 0.00 4.18 0.00 1.93 1.65 0.00 3.60 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.60 0.00 120 A 8.85 4.91 1.25 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 0.00 0.00 121 Q 8.82 4.75 0.00 1.04 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 122 R 8.81 4.90 0.00 1.82 1.76 0.00 3.02 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 123 L 8.93 5.14 0.00 2.04 1.83 1.04 0.82 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 0.00 124 S 8.80 5.52 0.00 3.85 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 0.00 125 F 8.88 5.49 0.00 3.21 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 0.00 126 M 8.76 4.58 0.00 1.95 2.12 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.48 0.00 127 C 8.70 4.58 0.00 2.27 2.26 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 0.00 128 D 8.78 4.93 0.00 2.64 2.57 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 0.00 0.00 0.00 0.00 129 P 0.00 4.58 0.00 2.25 2.27 0.00 3.87 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 130 T 7.67 3.94 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 1.19 0.00 0.00 131 G 8.91 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 0.00 132 V 7.68 3.51 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 0.91 0.00 0.00 1.06 0.00 0.00 133 D 7.89 5.07 0.00 2.82 2.96 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 0.00 134 S 7.55 4.77 0.00 3.96 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 0.00 135 E 8.66 4.06 0.00 1.94 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 2.28 2.33 0.00 136 E 8.13 3.96 0.00 1.95 1.95 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 2.29 2.34 0.00 137 G 7.55 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.19 4.59 0.63 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 0.00 0.00 0.00 0.00 0.00 0.00 139 T 8.01 5.22 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 1.25 0.00 0.00 140 C 9.65 5.29 0.00 3.19 3.30 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 0.00 141 A 8.67 5.48 1.25 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 0.00 0.00 142 V 8.56 4.44 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 -0.07 0.00 0.00 0.37 0.00 0.00 143 K 8.62 5.09 0.00 1.99 2.10 0.00 1.51 0.00 0.00 1.71 0.00 0.00 2.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.38 7.81 144 F 8.77 5.39 0.00 3.07 3.14 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 0.00 145 G 8.85 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 0.00 0.00 0.00 146 S 8.95 4.98 0.00 4.13 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 0.00 147 W 9.13 4.20 0.00 3.37 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 0.00 148 V 8.32 4.32 1.87 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 0.89 0.00 0.00 0.55 0.00 0.00 149 Y 8.15 4.67 0.00 3.02 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 0.00 150 S 8.37 3.15 0.00 3.92 3.48 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 0.00 151 G 8.53 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 0.00 0.00 0.00 152 F 8.10 4.33 0.00 3.02 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.77 4.64 0.00 2.18 1.95 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 2.43 2.36 0.00 154 I 7.63 4.98 1.96 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.63 0.99 0.00 0.00 155 D 9.22 4.90 0.00 2.73 2.50 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 0.00 156 L 8.41 5.43 0.00 1.59 1.59 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 157 K 8.89 4.92 0.00 1.67 1.65 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.52 7.81 158 T 8.40 5.05 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 1.26 0.00 0.00 159 D 8.80 4.56 0.00 2.69 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 0.00 160 T 7.44 4.68 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 0.00 161 D 8.51 5.50 0.00 2.86 2.89 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 0.00 162 Q 8.03 4.72 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 163 V 8.17 3.75 2.18 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 0.76 0.00 0.00 0.94 0.00 0.00 164 D 9.06 4.47 0.00 2.81 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.53 4.84 0.00 1.73 1.64 0.84 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 166 S 8.51 4.29 0.00 4.03 4.04 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 0.00 0.00 0.00 167 S 7.96 4.76 0.00 3.91 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 0.00 168 Y 7.78 4.39 0.00 2.97 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 Y 8.41 4.20 0.00 2.79 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 A 8.57 4.07 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 S 5.81 4.45 0.00 3.20 3.62 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 0.00 172 S 6.91 4.47 0.00 3.89 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 0.00 173 K 8.67 4.00 0.00 1.18 1.04 0.00 1.51 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.46 1.28 7.81 174 Y 7.88 5.35 0.00 3.07 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 0.00 175 E 9.43 4.58 0.00 2.11 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 2.30 2.31 0.00 176 I 8.00 4.52 1.49 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 0.01 -0.18 0.79 0.00 0.00 177 L 9.21 4.38 0.00 1.60 1.72 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 178 S 7.83 4.69 0.00 3.84 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 A 8.29 5.11 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 0.00 180 T 8.79 5.18 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 1.20 0.00 0.00 181 Q 9.22 4.91 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 182 T 8.84 4.95 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 1.22 0.00 0.00 183 R 8.76 4.61 0.00 1.85 1.85 0.00 3.31 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 184 Q 9.59 4.74 0.00 2.34 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 185 V 8.26 4.83 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 0.79 0.00 0.00 0.92 0.00 0.00 186 Q 8.99 4.58 0.00 1.89 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.58 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 187 H 8.44 5.17 0.00 2.95 3.16 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 Y 8.28 4.59 0.00 2.79 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 S 9.03 4.18 0.00 3.87 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 0.00 190 C 8.23 4.45 0.00 3.05 3.17 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 0.00 191 C 8.03 5.21 0.00 3.16 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 0.00 192 P 0.00 4.28 0.00 2.07 2.13 0.00 3.72 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 2.03 2.08 0.00 193 E 8.05 4.72 0.00 2.43 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 2.31 2.27 0.00 194 P 0.00 4.85 0.00 2.12 1.97 0.00 3.91 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 195 Y 9.40 4.97 0.00 2.92 2.89 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 0.00 196 I 8.38 4.98 1.93 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 1.40 0.94 1.00 0.00 0.00 197 D 9.18 5.27 0.00 2.86 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 0.00 198 V 8.87 4.78 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 1.06 0.00 0.00 1.04 0.00 0.00 199 N 9.48 4.99 0.00 3.02 2.68 0.00 0.00 6.34 7.02 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 0.00 200 L 8.70 4.72 0.00 1.41 1.55 0.71 -0.23 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 0.00 201 V 8.43 4.70 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 0.90 0.00 0.00 0.93 0.00 0.00 202 V 8.86 4.84 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 0.00 203 K 9.28 5.27 0.00 1.70 1.69 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.37 7.81 204 F 8.81 5.54 0.00 3.33 3.04 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 0.00 0.00 0.00 205 R 8.97 5.08 0.00 2.11 1.99 0.00 2.87 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 206 E 9.35 4.54 0.00 1.90 1.95 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 2.43 2.56 0.00 207 R 8.71 3.91 0.00 1.88 1.82 0.00 3.19 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 208 R 7.85 4.20 0.00 1.91 1.82 0.00 3.26 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.