NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 5.0753 8.1400 114.7949 58.6535 64.4255 172.8983 4 V 3.4893 7.5690 117.0187 63.7936 31.4633 173.5735 5 V 3.4759 7.5978 118.1971 66.3464 31.7764 177.1981 6 T 3.7910 7.4901 112.7846 65.1650 66.9199 176.2397 7 K 4.0262 7.6611 119.5978 58.7535 31.9896 179.6976 8 S 4.1506 8.1434 116.1011 61.4292 62.9317 176.1265 9 I 3.5945 7.5229 122.5160 64.6099 36.7663 178.1624 10 V 3.5312 7.3999 118.6167 66.4049 31.4444 177.6500 11 N 4.2798 7.7881 114.2422 56.3984 38.4007 177.3158 12 A 4.0490 8.4896 122.4152 55.1808 18.4213 179.1729 13 D 4.2907 8.5830 116.3987 56.9017 41.0110 178.1794 14 A 4.0407 7.5638 121.8767 54.3362 18.5687 177.8743 15 E 4.3537 7.6345 111.9157 55.1737 30.2339 175.8414 16 A 3.7607 7.4604 120.5701 52.7251 16.4805 176.8994 17 R 4.7591 7.7980 117.5873 54.6984 35.0398 175.7098 18 Y 3.9430 8.5606 117.2766 57.5402 38.4847 176.4299 19 L 4.1723 8.5691 122.7675 55.4473 42.5578 178.3379 20 S 4.4105 9.2964 118.8549 57.4491 65.0826 173.6132 21 P 4.3685 0.0000 0.0000 66.3038 30.5469 178.8058 22 G 3.6754 8.0304 103.9544 47.5128 0.0000 175.0759 23 E 4.1304 7.9829 120.8892 59.2720 29.5592 179.2753 24 L 3.9883 7.7752 118.5452 58.1728 41.7572 179.1998 25 D 4.4338 8.7115 118.8912 57.6031 40.7642 179.4930 26 R 4.0418 8.3195 118.9509 59.2652 30.2114 179.0224 27 I 3.8287 7.7963 112.1611 63.5641 37.2336 178.0249 28 K 3.9756 8.2370 121.8588 59.6229 32.0158 177.9579 29 N 4.6199 7.7883 113.8016 53.5606 38.7835 175.9589 30 F 4.2041 8.0119 122.7246 59.5480 39.7069 177.5186 31 V 3.8394 7.7978 118.2341 64.9178 31.7241 177.3944 32 S 4.3469 7.7410 113.1889 59.9015 63.5628 175.1275 33 T 4.4569 7.5588 114.6275 62.3073 67.3186 175.8289 34 G 3.7157 7.5897 107.0320 48.6809 0.0000 174.9053 35 E 3.9001 8.1034 121.3597 58.8904 29.8872 178.8486 36 R 3.9680 8.0502 117.7365 59.3863 30.2524 178.1127 37 R 3.8902 7.9089 117.7059 59.6952 30.1771 178.8986 38 L 4.0237 8.0572 118.2301 57.6531 41.4956 179.6452 39 R 3.8791 8.2780 119.1468 59.4549 30.0800 178.6095 40 I 3.6783 7.7447 118.7931 64.3495 37.1321 178.0995 41 A 3.9539 8.0228 121.4930 55.1802 18.0059 179.3268 42 Q 3.8940 8.2104 117.2810 59.7285 29.2787 178.2824 43 T 4.0029 8.1291 114.0816 65.1549 67.3123 176.2456 44 L 4.0530 7.9537 120.9966 57.8574 41.4920 178.8204 45 T 4.1239 8.0456 110.9660 63.6871 67.4160 175.1248 46 E 4.4354 7.7351 118.8185 57.4404 30.3374 176.2403 47 N 4.9439 7.7800 114.5431 52.5109 39.7621 176.0016 48 R 3.9158 7.8683 118.0524 59.7566 28.7994 178.3375 49 E 4.0070 8.1168 117.4324 59.3969 29.8684 179.2669 50 R 4.0361 7.8704 117.0316 59.5716 29.9389 178.7949 51 I 3.6527 7.8549 119.7172 64.7116 36.8254 178.3366 52 V 3.5165 7.3510 117.9832 65.5917 31.7337 177.5433 53 K 3.9649 8.0505 119.7988 59.5166 31.9957 178.6788 54 Q 4.5101 8.1611 118.2668 58.8793 28.1904 178.2605 55 A 4.0001 7.6335 122.4047 54.6552 18.2810 179.8900 56 G 3.2121 7.9876 104.6199 47.6452 0.0000 175.9235 57 D 4.1770 7.6428 120.6238 57.4582 40.5736 178.4062 58 Q 3.9756 8.5687 118.8726 59.0880 28.5989 179.6225 59 L 3.9905 7.4524 120.2772 58.1596 42.1096 178.8949 60 F 4.6338 7.5759 115.3263 59.8946 38.7812 177.1159 61 Q 4.1956 7.9014 119.1438 59.0485 29.1620 177.7327 62 K 4.2230 7.6625 117.0734 58.1743 33.5457 177.5880 63 R 4.7258 8.1982 117.5414 53.6678 30.2120 174.3664 64 P 4.4496 0.0000 0.0000 65.2542 32.1205 179.0690 65 D 4.3205 8.0308 118.9927 57.0278 41.1192 178.6121 66 V 3.5496 8.0495 119.1113 65.2651 31.5402 177.0330 67 V 4.9742 7.1181 109.0189 60.2046 31.7544 175.0016 68 S 4.9961 7.3753 117.5923 55.4346 65.9125 171.0384 69 P 2.9700 0.0000 0.0000 64.4529 30.9086 176.7771 70 G 3.7741 8.4350 110.5235 45.0477 0.0000 173.0865 71 G 4.4850 6.7817 107.3731 42.4869 0.0000 172.6168 72 N 3.8000 8.2404 116.3450 57.0744 39.3193 174.3544 *75 A 4.2890 7.4671 126.9264 52.0995 18.8632 173.8801 76 Y 4.9813 7.9828 120.5350 57.3518 41.9247 175.5998 77 G 3.9093 8.3472 113.0695 45.0576 0.0000 173.7400 78 E 3.8983 8.6090 118.1642 59.4577 28.0052 178.6983 79 E 3.9019 7.9498 118.4852 60.2123 29.3687 179.0666 80 M 4.2913 7.7862 117.4660 58.7235 32.3666 178.6709 81 T 3.8802 7.9477 113.0801 65.1789 67.5130 175.7330 82 A 4.0638 8.1994 122.9306 55.5303 18.3378 179.7058 83 T 3.8949 7.5119 108.2532 64.6507 68.7934 176.5165 84 C 4.0983 7.8198 120.8553 62.4402 31.8053 175.2918 85 L 4.1241 8.0262 120.3351 57.7761 41.2229 179.1300 86 R 3.7028 7.5867 118.1871 59.9215 29.7310 177.8461 87 D 4.2306 8.3834 118.5122 57.6351 40.7989 179.1030 88 L 4.2656 8.2185 119.5405 57.6890 41.6191 178.9367 89 D 4.4375 7.9642 117.6812 57.0624 41.2935 177.5539 90 Y 4.3517 7.9679 117.6135 61.6555 37.7100 178.4997 91 Y 4.2236 7.5820 115.8053 60.6678 38.1809 178.1363 92 L 4.1287 7.8507 121.1973 58.2100 42.1380 178.8051 93 R 3.6267 7.8704 118.6135 59.5496 29.8959 178.3661 94 L 3.6336 7.4843 117.6265 56.8969 41.5122 179.7100 95 V 3.4169 7.5835 119.1365 66.0720 31.4871 178.0683 96 T 3.7675 7.6699 108.9960 64.9214 68.3648 175.7408 97 Y 4.3951 7.5058 119.7536 61.0363 37.8973 178.3795 98 G 3.9424 8.0885 106.5237 48.8834 0.0000 175.3728 99 I 2.8655 7.0169 120.8775 64.0220 37.2171 178.2963 100 V 3.6844 7.5809 117.3005 66.0865 31.5874 177.5875 101 A 4.2218 8.2404 120.5747 52.7630 18.0189 179.0633 102 G 4.1112 8.3716 104.1073 45.6098 0.0000 172.1696 103 D 4.8946 7.7799 117.7856 52.3984 44.8034 175.6015 104 V 4.2418 7.9350 119.0805 62.9372 33.2006 177.2108 105 T 3.8572 7.4464 111.4132 65.0870 68.1953 173.8512 106 P 4.2179 0.0000 0.0000 65.6254 30.8010 178.1775 107 I 3.8056 7.9172 119.0759 64.3286 37.2249 177.7507 108 E 4.0843 8.3362 118.7897 60.0885 29.1199 179.3089 109 E 4.0510 8.3961 117.8326 59.4388 29.6335 179.2428 110 I 4.2110 7.8389 119.2221 63.2611 37.6479 177.3622 111 G 4.4241 8.5875 108.9195 44.5752 0.0000 173.4308 112 L 4.7866 8.3230 118.3619 54.9323 45.4624 177.4506 113 V 4.1427 7.6810 118.5005 61.5263 28.8692 175.4725 114 G 4.0919 8.3507 113.6393 45.2258 0.0000 173.7578 115 V 3.7559 7.9801 120.9654 65.8649 31.4940 177.3413 116 R 4.0217 8.0757 117.1430 59.4552 29.7775 178.5129 117 E 4.0044 8.2598 116.4189 59.7410 29.4958 178.8421 118 M 4.1462 8.0727 117.7983 59.0689 32.4148 177.9164 119 Y 4.1918 8.5992 117.2482 61.1327 38.1389 178.3797 120 N 4.4044 8.7962 117.9672 56.4689 38.4162 177.3468 121 S 4.1628 7.6662 112.2451 60.8154 62.5744 175.2963 122 L 4.4559 7.7861 119.2361 53.8251 41.7867 177.0866 123 G 3.9275 7.5991 106.4587 46.5068 0.0000 173.2376 124 T 4.4538 7.9042 113.5876 59.3962 68.6362 173.1273 125 P 4.3487 0.0000 0.0000 63.1020 32.4291 177.4997 126 I 3.5011 8.3003 124.1916 63.5716 37.3402 176.5309 127 P 4.3965 0.0000 0.0000 65.7272 30.6925 178.3394 128 A 4.0062 7.7949 119.6085 54.9188 18.7187 179.2518 129 V 3.6306 7.4366 116.7870 65.9897 31.5773 177.9969 130 A 3.9158 8.3557 120.9557 55.3709 18.1939 179.4587 131 E 4.1181 8.1866 116.3326 59.0239 29.4345 179.6584 132 G 3.6477 8.1177 106.1428 47.3896 0.0000 175.8082 133 I 3.9872 7.6235 121.4180 63.7395 37.1891 178.2032 134 R 3.8407 7.8657 118.0649 59.2397 30.2786 178.1980 135 A 4.0835 7.9017 120.3470 55.7192 18.2419 179.4224 136 M 3.8578 7.4902 116.1713 58.6386 32.0213 178.8331 137 K 2.4800 7.5277 119.2438 58.8604 31.9674 178.0451 138 N 4.3280 7.7389 116.2771 55.3573 38.6797 177.4944 139 V 3.4783 7.5018 117.9369 65.9400 32.0196 177.5177 140 A 4.1075 8.1470 120.8233 55.4651 18.3290 179.4248 141 C 4.1020 7.7030 115.4411 62.7387 27.8870 176.3780 142 S 4.2477 7.7292 114.5215 60.4414 62.7041 175.4212 143 L 4.4325 7.6722 120.7163 53.9062 41.9677 175.9104 144 L 4.7863 6.8330 118.8741 52.3303 44.7682 176.7453 145 S 4.4006 8.2585 115.2728 57.7326 64.9439 174.8007 146 A 3.9863 8.5193 123.9332 55.5695 18.1433 179.4204 147 E 4.1660 7.9996 115.7873 59.3723 30.1507 178.5994 148 D 4.5046 7.8045 117.8727 56.5992 40.8416 178.4651 149 A 4.3141 7.8981 120.8629 54.1578 18.9804 179.1960 150 A 3.8014 7.6213 118.3987 55.1116 18.9207 178.2563 *161 E 4.3915 7.9575 116.4010 56.3182 29.9429 177.7253 162 A 4.4146 7.7485 118.8792 54.9443 18.2315 179.8159 163 G 3.9196 8.3229 104.7553 48.3221 0.0000 175.4740 164 S 4.0859 8.0900 116.7589 62.2048 62.6023 176.4082 165 Y 4.0345 8.0837 118.5136 61.2458 37.4563 179.0156 166 F 4.2872 7.8587 117.2468 60.2624 39.2925 177.7233 167 D 4.4246 8.2845 118.6826 57.2753 40.3880 178.4576 168 F 4.0362 8.3864 120.6638 61.7707 39.4119 176.7397 169 V 3.6121 7.7287 118.3096 64.9216 31.2491 177.6422 170 I 3.6252 7.9395 112.6307 64.4732 37.1877 178.1996 171 G 3.5329 7.9873 105.4576 46.4823 0.0000 174.5680 172 A 4.3312 8.4636 122.2383 52.9020 19.4666 177.0363 173 M 4.3514 7.4771 116.8043 55.8338 32.2732 176.5533 174 Q 4.0653 7.7496 123.2824 56.2105 29.9449 175.2663 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 3 S 8.14 5.08 0.00 3.89 4.06 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 4 V 7.57 3.49 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 0.88 0.00 0.00 -0.39 0.00 0.00 5 V 7.60 3.48 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 0.95 0.00 0.00 0.90 0.00 0.00 6 T 7.49 3.79 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 7 K 7.66 4.03 0.00 1.91 1.77 0.00 1.79 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.41 7.81 8 S 8.14 4.15 0.00 3.95 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 9 I 7.52 3.59 1.83 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 1.37 0.87 0.86 0.00 0.00 10 V 7.40 3.53 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 1.01 0.00 0.00 0.93 0.00 0.00 11 N 7.79 4.28 0.00 3.02 2.84 0.00 0.00 7.02 7.42 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 12 A 8.49 4.05 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 13 D 8.58 4.29 0.00 2.80 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 14 A 7.56 4.04 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 15 E 7.63 4.35 0.00 2.06 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 2.25 2.22 0.00 16 A 7.46 3.76 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 17 R 7.80 4.76 0.00 1.80 1.86 0.00 3.20 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 18 Y 8.56 3.94 0.00 2.96 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 19 L 8.57 4.17 0.00 1.67 1.75 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 20 S 9.30 4.41 0.00 4.03 4.01 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 21 P 0.00 4.37 0.00 2.29 2.38 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 22 G 8.03 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 23 E 7.98 4.13 0.00 2.08 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 0.00 2.33 2.36 0.00 24 L 7.78 3.99 0.00 1.92 1.75 0.95 0.92 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 25 D 8.71 4.43 0.00 2.99 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 26 R 8.32 4.04 0.00 2.06 2.05 0.00 3.15 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.98 0.00 27 I 7.80 3.83 1.88 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 1.61 0.98 0.90 0.00 0.00 28 K 8.24 3.98 0.00 2.05 2.05 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.50 7.81 29 N 7.79 4.62 0.00 2.93 2.84 0.00 0.00 6.82 7.89 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 30 F 8.01 4.20 0.00 3.37 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 31 V 7.80 3.84 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 0.95 0.00 0.00 1.07 0.00 0.00 32 S 7.74 4.35 0.00 4.17 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 33 T 7.56 4.46 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 1.11 0.00 0.00 34 G 7.59 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 35 E 8.10 3.90 0.00 1.97 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 2.31 2.42 0.00 36 R 8.05 3.97 0.00 1.90 2.03 0.00 3.25 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 37 R 7.91 3.89 0.00 2.04 2.00 0.00 3.26 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 38 L 8.06 4.02 0.00 1.86 1.73 0.93 0.65 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 39 R 8.28 3.88 0.00 1.85 2.14 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 40 I 7.74 3.68 2.04 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 1.59 0.73 0.93 0.00 0.00 41 A 8.02 3.95 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 42 Q 8.21 3.89 0.00 2.14 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 43 T 8.13 4.00 4.34 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 1.26 0.00 0.00 44 L 7.95 4.05 0.00 1.91 1.76 1.10 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.05 4.12 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 1.38 0.00 0.00 46 E 7.74 4.44 0.00 1.93 1.99 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 2.29 2.64 0.00 47 N 7.78 4.94 0.00 2.73 2.79 0.00 0.00 6.88 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.87 3.92 0.00 2.03 2.35 0.00 2.80 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 49 E 8.12 4.01 0.00 1.96 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 2.32 2.36 0.00 50 R 7.87 4.04 0.00 1.85 1.96 0.00 3.16 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 51 I 7.85 3.65 1.89 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 1.40 0.98 0.92 0.00 0.00 52 V 7.35 3.52 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 0.79 0.00 0.00 1.07 0.00 0.00 53 K 8.05 3.96 0.00 1.98 1.83 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.43 7.81 54 Q 8.16 4.51 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.57 2.25 0.00 55 A 7.63 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.80 2.86 0.00 0.00 6.75 8.15 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 *75 A 7.47 4.29 1.30 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 0.00 0.00 76 Y 7.98 4.98 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 77 G 8.35 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 78 E 8.61 3.90 0.00 2.11 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 2.32 2.28 0.00 79 E 7.95 3.90 0.00 1.95 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 2.37 2.33 0.00 80 M 7.79 4.29 0.00 2.15 2.42 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.56 0.00 81 T 7.95 3.88 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 1.29 0.00 0.00 82 A 8.20 4.06 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 83 T 7.51 3.89 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 84 C 7.82 4.10 0.00 3.15 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 85 L 8.03 4.12 0.00 1.91 1.70 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.59 3.70 0.00 1.89 1.90 0.00 2.88 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.50 0.00 87 D 8.38 4.23 0.00 3.07 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 88 L 8.22 4.27 0.00 1.93 1.78 0.90 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.96 4.44 0.00 2.71 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 90 Y 7.97 4.35 0.00 2.98 2.56 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.74 1.11 0.00 0.00 108 E 8.34 4.08 0.00 2.26 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 0.00 2.67 2.58 0.00 109 E 8.40 4.05 0.00 1.95 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 2.37 2.51 0.00 110 I 7.84 4.21 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.67 0.89 0.00 0.00 111 G 8.59 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 0.00 0.00 0.00 0.00 112 L 8.32 4.79 0.00 1.98 1.72 1.08 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.68 4.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.04 0.00 0.00 114 G 8.35 4.09 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 0.00 0.00 0.00 115 V 7.98 3.76 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 I 7.62 3.99 1.83 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.65 1.05 0.00 0.00 134 R 7.87 3.84 0.00 2.00 1.96 0.00 3.30 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 135 A 7.90 4.08 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 0.00 136 M 7.49 3.86 0.00 2.30 2.41 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.58 0.00 137 K 7.53 2.48 0.00 1.14 1.76 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.28 7.81 138 N 7.74 4.33 0.00 2.85 2.76 0.00 0.00 6.47 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 V 7.50 3.48 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 0.81 0.00 0.00 0.89 0.00 0.00 140 A 8.15 4.11 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 0.00 141 C 7.70 4.10 0.00 2.92 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 0.00 142 S 7.73 4.25 0.00 3.98 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 0.00 143 L 7.67 4.43 0.00 1.75 1.74 0.92 0.79 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 0.00 144 L 6.83 4.79 0.00 1.65 1.57 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 145 S 8.26 4.40 0.00 4.05 4.01 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 0.00 146 A 8.52 3.99 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 0.00 147 E 8.00 4.17 0.00 2.07 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 0.00 2.37 2.45 0.00 148 D 7.80 4.50 0.00 2.69 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 0.00 149 A 7.90 4.31 1.42 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 0.00 150 A 7.62 3.80 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 *161 E 7.96 4.39 0.00 2.10 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 2.51 2.46 0.00 162 A 7.75 4.41 1.53 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 0.00 163 G 8.32 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 0.00 164 S 8.09 4.09 0.00 3.71 3.67 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 0.00 0.00 0.00 0.00 165 Y 8.08 4.03 0.00 2.97 2.98 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 0.00 166 F 7.86 4.29 0.00 3.37 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 0.00 167 D 8.28 4.42 0.00 2.93 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 0.00 168 F 8.39 4.04 0.00 2.92 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 V 7.73 3.61 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 0.68 0.00 0.00 1.02 0.00 0.00 170 I 7.94 3.63 1.83 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 1.67 0.45 1.02 0.00 0.00 171 G 7.99 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 0.00 172 A 8.46 4.33 1.10 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 0.00 0.00 173 M 7.48 4.35 0.00 1.88 2.07 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 174 Q 7.75 4.07 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.65 0.00 0.00 0.00 0.00 0.00 2.18 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.