NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4294 8.1814 115.2963 58.6146 64.0537 175.7746 4 G 3.6783 8.7855 121.6295 46.3631 0.0000 171.3531 5 N 4.5528 7.4494 123.5335 52.5677 40.4996 172.7482 6 A 4.1624 7.9747 123.2410 50.9720 19.3872 177.1915 7 R 4.6607 8.1340 121.5057 54.0626 33.5266 175.2978 8 I 4.0656 8.3135 123.6290 62.9146 37.5548 176.6271 9 G 3.9715 9.1235 113.6244 44.8764 0.0000 172.9292 10 K 4.7217 7.5907 118.2001 53.2571 36.2137 173.7808 11 P 4.6917 0.0000 0.0000 63.1614 31.6093 176.5106 12 A 4.1417 8.8639 126.7806 50.9617 19.2191 175.7501 13 P 4.0351 0.0000 0.0000 62.7287 31.8147 176.3191 14 D 4.4986 8.4837 122.5615 54.5290 42.0851 174.6700 15 F 5.1732 7.6903 116.8495 55.8013 41.6644 172.8680 16 K 5.2013 8.6916 120.1249 55.3080 35.0311 174.8326 17 A 4.7582 9.2179 127.8351 50.9279 23.3478 175.1370 18 T 4.5935 8.4504 116.1845 63.3813 70.1496 173.8824 19 A 5.1729 9.3293 126.5608 50.3008 23.8871 174.5261 20 V 4.8443 8.7806 119.4419 61.6252 33.5103 174.8906 21 V 4.5032 8.7350 127.9883 61.2257 34.3230 175.1671 22 D 4.2811 9.7880 129.4874 55.5995 38.2808 174.7421 23 G 3.8298 8.5491 102.8279 45.7734 0.0000 173.1669 24 A 4.4466 7.8233 121.6035 49.9053 22.3912 175.1936 25 F 5.5984 8.0471 117.8473 56.5525 40.4291 175.7365 26 K 4.6994 8.9244 123.1511 54.8677 36.1449 174.3784 27 E 4.6617 8.7779 126.5232 55.9509 30.6310 175.7155 28 V 4.7277 9.0571 126.8718 60.9727 34.6717 174.3170 29 K 4.9893 9.0050 125.2535 54.8833 35.9273 176.9933 30 L 3.6706 7.7270 124.1788 58.1581 42.0688 179.6060 31 S 4.1691 7.8131 112.3196 60.7416 63.1296 175.8131 32 D 4.1423 7.8627 120.5944 56.7565 40.7537 176.5570 33 Y 4.4857 8.0621 116.1758 57.2511 38.1100 175.4322 34 K 4.1006 7.3768 120.6579 58.3476 32.3828 177.4724 35 G 4.0395 9.2665 111.9538 44.9738 0.0000 173.1060 36 K 4.9849 8.0051 118.3727 54.5123 36.4368 175.6686 37 Y 4.4078 8.9136 120.3924 58.1010 39.5787 174.8954 38 V 4.7665 8.9271 120.8150 61.2955 35.4518 174.2835 39 V 4.6225 8.8769 128.2571 61.3346 33.2749 173.9324 40 L 4.8236 8.9138 132.2260 53.3183 43.7590 174.9187 41 F 5.4241 8.5615 122.2352 55.0824 39.0657 174.5540 42 F 4.9809 9.7021 122.8140 56.8970 40.5995 174.3609 43 Y 5.2313 8.1941 119.1782 55.2072 40.7835 173.6563 44 P 4.4019 0.0000 0.0000 64.8008 31.8850 176.6310 45 L 4.7958 7.5866 117.3894 52.2443 45.6984 175.7342 46 D 3.4381 9.4512 123.1331 54.8398 41.2580 176.0289 47 F 3.1563 4.0000 116.4566 58.8277 36.7352 175.4568 48 T 3.6014 7.1283 112.0067 60.7553 70.1160 171.9579 49 F 4.9274 8.0886 113.6526 59.7900 41.2363 180.2486 50 V 4.0907 7.7265 120.7623 62.0337 30.7713 175.9791 *52 P 3.9594 0.0000 0.0000 62.3662 33.4023 178.5548 53 T 3.9084 7.3498 110.3126 64.6243 68.6470 176.6309 54 E 3.8851 8.1959 121.4621 59.1268 29.5110 179.3227 55 I 3.9119 7.5479 119.4007 64.4056 37.1992 178.4345 56 I 3.5972 8.2382 120.7710 64.0756 36.9255 178.1844 57 A 3.8374 7.8849 121.5592 55.3545 17.9845 179.7177 58 F 3.9795 7.6500 114.6075 60.5812 39.3020 177.6074 59 S 4.2913 8.3018 112.7726 61.6284 62.0315 176.0348 60 N 4.4274 8.5923 118.0987 55.7498 38.5539 176.6065 61 R 4.5036 7.8453 117.3037 56.0228 30.3173 177.8347 62 A 4.2224 7.8346 123.5312 55.7205 18.3392 180.2347 63 E 4.0794 8.2572 115.8699 59.1137 29.3940 178.9803 64 D 4.3434 7.9803 118.6352 57.0336 41.0316 178.3407 65 F 4.3078 8.2591 117.8327 60.4405 39.2325 177.9235 66 R 4.2497 8.3110 119.1114 58.7409 29.6606 179.2010 67 K 4.0639 8.2092 116.9770 58.5491 32.0797 178.2436 68 L 4.5186 7.8861 117.5560 53.9662 42.1265 176.7816 69 G 3.9351 8.4772 108.0676 46.4038 0.0000 172.2229 70 C 5.5381 8.1975 119.2026 57.3077 34.5702 172.0874 71 E 4.8105 9.2860 125.8285 54.8701 31.5028 174.9086 72 V 4.5968 8.2686 123.4020 61.1789 33.6035 174.7577 73 L 4.5638 8.7593 127.2059 52.8956 45.2062 176.0205 74 G 3.2202 8.3367 111.2664 44.5328 0.0000 172.8394 75 V 4.8765 7.6501 120.0547 60.1252 35.1781 173.5221 76 S 4.7015 8.2679 117.1496 56.5017 66.6385 175.0763 77 V 3.9338 8.2301 111.6926 63.0491 31.2786 176.6971 78 D 4.4939 7.7295 120.7437 53.8557 41.3189 176.1181 79 S 4.3021 8.2116 116.8751 57.7001 65.5966 175.1753 80 Q 3.7835 8.0698 119.7684 58.8910 28.1788 178.4714 81 F 4.2977 7.6931 119.7974 60.8194 39.0755 177.5571 82 T 4.1176 8.0349 115.0459 66.8629 68.2161 176.3921 83 H 4.7297 8.4158 119.7946 58.4890 28.7998 177.5946 84 L 4.1095 8.4022 121.6696 58.1115 41.6285 178.8340 85 A 4.1920 8.3773 120.9827 54.8447 18.3026 179.4703 86 W 4.1655 8.4806 127.0776 60.6845 30.2631 178.4399 87 I 3.7481 8.3702 120.2123 64.0174 36.2664 177.1392 88 N 4.8054 8.1417 114.8121 52.7693 39.0471 174.6710 89 T 4.6722 6.9208 118.9463 60.8613 70.5062 172.6708 90 P 4.6190 0.0000 0.0000 62.5393 32.3117 177.6644 91 R 4.4431 8.5514 119.7228 58.6882 30.2438 179.1091 92 K 3.9619 8.1174 117.7848 58.8510 32.2526 176.8452 93 E 4.4781 8.2308 116.3452 56.0621 29.5294 176.5147 94 G 4.1712 8.2474 107.2622 45.2184 0.0000 174.4949 95 G 4.4279 7.8369 108.6409 44.3351 0.0000 173.8370 96 L 3.8922 7.7934 117.3634 53.1697 43.0542 178.6244 97 G 3.8946 7.8340 106.8292 43.8676 0.0000 170.9300 98 P 4.2896 0.0000 0.0000 62.8072 31.7278 175.9054 99 L 4.7996 8.2322 121.2146 53.1961 44.6653 175.6401 100 N 5.0124 8.9565 119.0147 52.9721 39.1932 174.2563 101 I 4.7381 7.3498 107.8767 57.7224 40.9060 172.8764 102 P 4.5590 0.0000 0.0000 62.8807 32.7749 175.0776 103 L 4.8097 8.6452 125.3179 53.2945 44.2122 175.3228 104 L 4.7804 8.9160 127.3096 54.0681 43.4584 175.8251 105 A 4.9017 8.4688 124.4121 48.9471 20.4650 177.5882 106 D 4.7858 8.5461 125.1074 53.1589 40.6834 177.4430 107 V 3.7965 7.7043 120.0550 65.4915 32.2680 176.5560 108 T 4.0475 7.7901 107.4823 61.8715 69.2617 175.4516 109 R 4.0982 8.2773 120.9531 57.0678 28.7043 177.9294 110 R 3.9053 7.8701 119.5078 59.4528 29.9096 178.5294 111 L 4.1822 8.2113 118.3311 58.0558 41.7585 179.5245 112 S 3.7866 8.8092 115.3961 61.4885 62.7112 176.6737 113 E 3.9696 8.5823 121.7284 59.5052 29.1560 179.0966 114 D 4.3310 8.5037 119.1932 56.9892 40.6266 177.4048 115 Y 4.0027 8.0337 114.7427 56.5856 38.0868 175.6441 116 G 3.9389 7.7034 107.7635 46.9928 0.0000 174.8111 117 V 4.4325 7.5589 110.3985 60.4821 33.1334 175.5502 118 L 4.3158 7.8773 123.6700 55.0226 42.9765 176.8672 119 K 4.2359 9.1624 128.6558 54.9462 31.2338 176.4348 120 T 3.8769 8.5627 122.5046 64.8262 67.4610 175.3781 121 D 4.3763 8.0385 118.2270 54.6698 39.8236 176.2447 122 E 4.4005 7.6004 117.6654 55.4048 31.6849 177.1604 123 G 3.8955 8.7045 106.5035 45.2401 0.0000 172.8205 124 I 4.6493 7.1646 111.7889 58.4385 40.8670 174.3959 125 A 4.6939 8.2770 124.7865 51.7029 20.0351 176.9889 126 Y 4.1651 8.8544 119.7459 57.6880 39.4783 177.5032 127 R 4.6650 8.7635 120.3083 55.3937 28.7806 174.8489 128 G 4.4507 8.5628 108.4975 44.1569 0.0000 169.8728 129 L 5.4504 8.9092 127.1020 53.1739 45.2927 175.0189 130 F 5.3936 9.4331 124.2052 55.7860 43.0532 173.7742 131 I 4.9748 8.6135 123.8161 59.7162 39.5257 174.5416 132 I 4.9307 8.7802 128.4333 59.4488 40.1274 176.0018 133 D 3.3700 8.4706 127.1314 51.4199 41.0166 177.1257 134 G 3.7797 8.0002 106.4158 47.5540 0.0000 174.9555 135 K 4.1535 8.0838 117.7648 56.4111 32.7555 177.4937 136 G 3.8274 8.3819 108.3478 45.3383 0.0000 172.9910 137 V 4.3843 8.0741 120.2063 61.0192 32.7387 174.8099 138 L 4.4932 8.6187 129.6159 55.4387 42.3269 177.1820 139 R 4.2848 9.0026 124.8364 56.5552 32.6776 176.1477 140 Q 4.7137 7.7930 118.7869 54.6660 32.8423 173.2074 141 I 4.8326 8.4569 125.6372 59.7763 40.5576 174.8059 142 T 4.5722 8.7643 123.5935 61.6571 71.7555 173.1741 143 V 4.7819 8.3789 125.7138 61.2216 34.2197 174.1123 144 N 5.0831 8.8454 125.1006 51.1105 41.2894 174.4182 145 D 4.7955 8.5678 121.0620 54.0102 42.1994 177.0863 146 L 4.2396 8.8514 122.5930 57.6489 41.6408 177.4022 147 P 4.4448 0.0000 0.0000 63.9049 31.5767 176.1658 148 V 4.3673 7.2731 117.1933 60.3508 33.2403 175.5761 149 G 3.7937 8.6244 116.0350 45.6556 0.0000 173.0999 150 R 4.3145 9.1835 120.7323 55.1280 31.8637 176.2317 151 S 4.5632 8.1919 112.0369 56.4521 64.4719 174.4041 152 V 3.2390 8.0179 128.9088 66.0300 31.3768 177.3413 153 D 4.3170 8.0085 118.1613 57.5551 40.6564 178.4276 154 E 3.9927 8.3488 119.4220 59.0592 29.6368 178.6281 155 A 4.1822 8.2164 121.0270 55.2186 18.4383 179.3586 156 L 3.8363 8.4251 119.0305 58.1875 42.0116 179.1919 157 R 4.5777 8.0851 120.0297 58.9502 29.9763 178.5073 158 L 3.9960 8.2536 118.8901 57.7957 41.6986 179.5864 159 V 3.7288 8.0680 118.1272 66.2825 31.6292 178.0423 160 Q 4.0679 8.4906 117.7333 59.0405 28.5012 178.8051 161 A 3.0123 8.4498 122.1422 54.7056 18.2767 179.7660 162 F 4.0981 8.3126 116.7583 60.8239 39.0253 177.9482 163 Q 3.9882 8.0890 117.7288 58.8888 28.4624 178.2045 164 Y 3.7802 8.0682 120.8242 60.9687 38.6522 178.4109 165 T 4.1025 7.9076 109.2950 64.6522 68.9402 175.9850 166 D 4.5132 8.1780 121.4447 56.9707 40.9704 177.7276 167 E 4.2642 7.8836 116.6258 56.1776 30.1659 175.7022 168 H 4.8082 7.1785 114.9655 53.6873 32.5697 174.3141 169 G 3.9783 8.3016 111.0673 44.2894 0.0000 173.0417 170 E 4.9404 7.4712 116.0588 55.1195 34.5531 176.7544 171 V 4.4189 8.6420 114.8703 59.8244 35.6683 174.3810 172 C 4.5458 8.0233 119.6740 57.2630 29.7031 172.5344 173 P 4.2957 0.0000 0.0000 61.5582 31.8092 175.4830 174 A 4.1147 8.3676 122.3232 54.1507 18.3894 178.2628 175 G 3.9352 8.9515 109.5148 45.1382 0.0000 173.6291 176 W 4.1692 7.8487 129.1122 57.6404 31.3413 175.2571 177 K 3.9501 7.2090 122.5688 53.1361 35.6728 174.1022 178 P 3.5960 0.0000 0.0000 64.2994 31.4828 176.5154 179 G 3.8642 8.5752 111.0390 45.5072 0.0000 173.9436 180 S 4.2578 7.0998 114.9869 57.7608 63.4768 173.6831 181 D 4.6630 8.3897 121.8529 54.6731 41.1946 175.6617 182 T 4.7888 8.2734 111.0806 60.0454 72.5930 172.5851 183 I 4.4157 7.9440 121.5548 59.1714 40.2462 175.4254 184 K 4.3814 8.5443 126.3314 54.8323 32.5190 176.6284 185 P 4.6167 0.0000 0.0000 60.8189 30.3125 174.9498 186 N 4.9852 7.4143 117.8560 51.8933 40.7478 176.2610 187 V 3.6569 8.6601 120.2099 66.5948 32.0587 177.2976 188 D 4.5674 8.2647 118.7022 57.6299 40.9420 178.6525 189 D 4.4817 8.7138 119.2472 57.0667 40.7124 178.9193 190 S 4.0923 8.3208 114.9450 61.1220 62.8847 176.5820 191 K 4.2284 8.1237 122.1937 59.1647 31.5555 178.7189 192 E 3.9695 8.0143 118.0658 59.7347 29.2701 178.5627 193 Y 3.9115 7.9216 120.5669 60.2203 39.0456 178.0414 194 F 4.5700 8.0545 118.6610 60.5733 38.7762 177.6379 195 S 4.3875 8.1956 112.8476 60.5728 63.1933 175.9322 196 K 4.0675 7.7127 122.4459 58.3660 32.0845 177.3213 197 H 4.5075 7.6717 113.7621 55.4857 29.6947 174.3616 198 N 4.6079 7.6568 122.1176 53.3199 39.2352 174.0044 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 8.18 4.43 0.00 4.03 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 4 G 8.79 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 5 N 7.45 4.55 0.00 2.61 2.71 0.00 0.00 6.97 7.54 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 6 A 7.97 4.16 0.93 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 0.00 0.00 7 R 8.13 4.66 0.00 1.80 1.77 0.00 3.10 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 8 I 8.31 4.07 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 0.93 0.00 0.00 9 G 9.12 3.97 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 0.00 0.00 0.00 10 K 7.59 4.72 0.00 1.82 1.65 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.36 7.81 11 P 0.00 4.69 0.00 1.89 1.97 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 12 A 8.86 4.14 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 13 P 0.00 4.04 0.00 1.50 1.78 0.00 2.96 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.80 0.00 14 D 8.48 4.50 0.00 2.58 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 0.00 0.00 0.00 0.00 15 F 7.69 5.17 0.00 3.14 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.69 5.20 0.00 1.77 1.72 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 17 A 9.22 4.76 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 18 T 8.45 4.59 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 0.96 0.00 0.00 19 A 9.33 5.17 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 20 V 8.78 4.84 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 1.04 0.00 0.00 1.13 0.00 0.00 21 V 8.74 4.50 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 0.95 0.00 0.00 0.98 0.00 0.00 22 D 9.79 4.28 0.00 2.83 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 23 G 8.55 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 0.00 0.00 0.00 24 A 7.82 4.45 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 25 F 8.05 5.60 0.00 2.85 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 26 K 8.92 4.70 0.00 1.88 1.63 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.46 7.81 27 E 8.78 4.66 0.00 2.04 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 0.00 2.31 2.32 0.00 28 V 9.06 4.73 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 1.02 0.00 0.00 29 K 9.01 4.99 0.00 1.85 1.82 0.00 1.34 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.29 7.81 30 L 7.73 3.67 0.00 0.27 1.34 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.81 4.17 0.00 3.98 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 32 D 7.86 4.14 0.00 2.05 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 0.00 0.00 0.00 33 Y 8.06 4.49 0.00 3.11 3.01 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 34 K 7.38 4.10 0.00 1.68 1.75 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.52 7.81 35 G 9.27 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 0.00 0.00 0.00 36 K 8.01 4.98 0.00 2.04 1.95 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.47 7.81 37 Y 8.91 4.41 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 38 V 8.93 4.77 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 0.89 0.00 0.00 0.78 0.00 0.00 39 V 8.88 4.62 1.79 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 0.70 0.00 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0.00 0.00 0.00 0.00 66 R 8.31 4.25 0.00 2.07 2.07 0.00 3.37 0.00 0.00 3.33 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.66 0.00 67 K 8.21 4.06 0.00 1.75 1.90 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.69 7.81 68 L 7.89 4.52 0.00 1.80 1.92 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.48 3.94 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 0.00 0.00 0.00 70 C 8.20 5.54 0.00 3.20 3.22 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 71 E 9.29 4.81 0.00 1.80 1.81 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 2.48 2.87 0.00 72 V 8.27 4.60 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 0.57 0.00 0.00 0.32 0.00 0.00 73 L 8.76 4.56 0.00 1.23 1.20 0.70 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.34 3.22 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.88 0.00 0.00 108 T 7.79 4.05 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 1.21 0.00 0.00 109 R 8.28 4.10 0.00 2.11 2.11 0.00 3.32 0.00 0.00 3.07 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 110 R 7.87 3.91 0.00 1.93 1.95 0.00 3.17 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 111 L 8.21 4.18 0.00 2.15 1.91 1.04 0.49 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 0.00 112 S 8.81 3.79 0.00 3.97 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 0.00 113 E 8.58 3.97 0.00 2.04 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 2.31 2.46 0.00 114 D 8.50 4.33 0.00 2.96 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 0.00 0.00 0.00 0.00 115 Y 8.03 4.00 0.00 2.49 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 0.00 0.00 0.00 0.00 116 G 7.70 3.94 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 0.00 0.00 0.00 117 V 7.56 4.43 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 0.84 0.00 0.00 0.27 0.00 0.00 118 L 7.88 4.32 0.00 1.60 1.55 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 119 K 9.16 4.24 0.00 0.80 1.44 0.00 0.90 0.00 0.00 1.37 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.21 7.81 120 T 8.56 3.88 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 0.00 121 D 8.04 4.38 0.00 2.82 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 0.00 122 E 7.60 4.40 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 123 G 8.70 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 0.00 0.00 0.00 124 I 7.16 4.65 1.95 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 1.14 0.77 0.90 0.00 0.00 125 A 8.28 4.69 1.31 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 0.00 0.00 126 Y 8.85 4.17 0.00 2.99 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 0.00 127 R 8.76 4.66 0.00 1.99 2.05 0.00 3.43 0.00 0.00 3.62 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.77 0.00 128 G 8.56 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 0.00 0.00 0.00 0.00 129 L 8.91 5.45 0.00 1.71 1.45 0.97 0.88 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 0.00 130 F 9.43 5.39 0.00 3.02 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 0.00 131 I 8.61 4.97 1.94 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.78 1.20 0.00 0.00 132 I 8.78 4.93 1.87 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 0.98 0.93 0.00 0.00 133 D 8.47 3.37 0.00 2.24 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 0.00 0.00 0.00 134 G 8.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.08 4.15 0.00 1.85 1.82 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.40 7.81 136 G 8.38 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 0.00 0.00 0.00 137 V 8.07 4.38 2.31 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 0.97 0.00 0.00 0.89 0.00 0.00 138 L 8.62 4.49 0.00 1.86 1.72 1.30 0.85 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 0.00 139 R 9.00 4.28 0.00 0.93 0.66 0.00 3.21 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.34 0.00 140 Q 7.79 4.71 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.86 0.00 0.00 0.00 0.00 0.00 2.56 2.67 0.00 141 I 8.46 4.83 1.91 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 1.73 0.96 0.88 0.00 0.00 142 T 8.76 4.57 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 143 V 8.38 4.78 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 0.79 0.00 0.00 0.85 0.00 0.00 144 N 8.85 5.08 0.00 2.84 2.74 0.00 0.00 6.20 7.37 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 0.00 145 D 8.57 4.80 0.00 2.74 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 0.00 146 L 8.85 4.24 0.00 1.79 1.84 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 147 P 0.00 4.44 0.00 2.09 2.16 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 148 V 7.27 4.37 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 0.81 0.00 0.00 0.97 0.00 0.00 149 G 8.62 3.79 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 0.00 0.00 0.00 150 R 9.18 4.31 0.00 1.92 1.98 0.00 3.22 0.00 0.00 3.42 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 151 S 8.19 4.56 0.00 3.82 3.69 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 0.00 152 V 8.02 3.24 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 0.95 0.00 0.00 -0.18 0.00 0.00 153 D 8.01 4.32 0.00 2.69 2.68 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 0.00 154 E 8.35 3.99 0.00 2.12 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 0.00 2.35 2.44 0.00 155 A 8.22 4.18 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 L 8.43 3.84 0.00 1.48 1.74 0.01 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 157 R 8.09 4.58 0.00 2.06 2.14 0.00 3.41 0.00 0.00 3.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.63 0.00 158 L 8.25 4.00 0.00 2.10 2.00 1.06 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.07 3.73 2.36 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 1.04 0.00 0.00 1.32 0.00 0.00 160 Q 8.49 4.07 0.00 2.58 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 161 A 8.45 3.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 F 8.31 4.10 0.00 3.16 3.29 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 0.00 163 Q 8.09 3.99 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 1.95 1.73 0.00 164 Y 8.07 3.78 0.00 3.04 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.91 4.10 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 1.08 0.00 0.00 166 D 8.18 4.51 0.00 2.98 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 0.00 167 E 7.88 4.26 0.00 1.71 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 2.43 2.42 0.00 168 H 7.18 4.81 0.00 2.81 3.04 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 G 8.30 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 0.00 0.00 0.00 170 E 7.47 4.94 0.00 1.95 1.86 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 2.28 2.47 0.00 171 V 8.64 4.42 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 0.67 0.00 0.00 0.85 0.00 0.00 172 C 8.02 4.55 0.00 2.39 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 0.00 173 P 0.00 4.30 0.00 2.22 1.90 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.66 0.00 174 A 8.37 4.11 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 0.00 175 G 8.95 3.94 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 0.00 0.00 0.00 176 W 7.85 4.17 0.00 3.29 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 0.00 177 K 7.21 3.95 0.00 1.34 1.22 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.19 1.39 7.81 178 P 0.00 3.60 0.00 1.81 1.90 0.00 3.23 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 179 G 8.58 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 S 7.10 4.26 0.00 3.18 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 0.00 181 D 8.39 4.66 0.00 2.88 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 0.00 182 T 8.27 4.79 4.37 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 1.06 0.00 0.00 183 I 7.94 4.42 1.54 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 -0.30 -0.02 0.49 0.00 0.00 184 K 8.54 4.38 0.00 1.63 1.75 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.44 7.81 185 P 0.00 4.62 0.00 2.17 2.06 0.00 3.84 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 186 N 7.41 4.99 0.00 2.93 2.91 0.00 0.00 5.71 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 0.00 187 V 8.66 3.66 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 0.86 0.00 0.00 0.97 0.00 0.00 188 D 8.26 4.57 0.00 2.77 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 0.00 189 D 8.71 4.48 0.00 2.77 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 0.00 190 S 8.32 4.09 0.00 3.95 4.38 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 0.00 191 K 8.12 4.23 0.00 1.95 2.02 0.00 1.83 0.00 0.00 1.95 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.88 1.68 7.81 192 E 8.01 3.97 0.00 2.17 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 0.00 2.63 2.36 0.00 193 Y 7.92 3.91 0.00 2.88 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 0.00 194 F 8.05 4.57 0.00 3.24 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 0.00 195 S 8.20 4.39 0.00 4.07 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 0.00 196 K 7.71 4.07 0.00 1.73 2.09 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.29 1.36 7.81 197 H 7.67 4.51 0.00 2.69 3.10 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 N 7.66 4.61 0.00 2.89 2.68 0.00 0.00 6.80 7.44 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 * Residues marked with a * may have inaccurate shift predictions.