NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.3630 8.0932 114.8006 57.7743 64.5520 174.1258 2 L 4.0468 8.3313 120.1000 57.6227 41.1372 178.6667 3 L 4.0242 8.3945 119.5696 57.9367 41.9127 179.1422 4 E 4.0733 8.0322 117.9738 59.3311 29.4555 178.9336 5 F 4.7067 8.6534 120.9738 61.4824 39.4707 177.4321 6 G 3.5374 8.6004 105.7132 47.6376 0.0000 175.6482 7 K 4.0502 8.0632 121.6572 59.2540 32.1604 178.6563 8 M 4.0473 8.3548 118.6558 58.6777 32.1381 178.2011 9 I 3.5742 7.6400 119.8517 64.2493 37.1914 178.0679 10 L 4.4294 7.7308 122.3061 57.7949 41.7015 178.8325 11 E 3.9955 8.0841 117.0283 59.4320 29.4605 179.0990 12 E 4.1231 8.2865 117.8067 59.2865 29.7785 178.6878 13 T 4.4235 8.2449 107.0880 60.9817 70.2256 175.7605 14 G 3.8033 8.2165 110.3802 45.6897 0.0000 173.1964 *16 K 4.4708 7.4381 117.7534 56.0913 33.3577 174.7832 17 L 4.4558 8.1433 121.7174 53.8902 42.8558 177.3849 18 A 4.0724 8.8606 127.0495 54.9802 18.3354 177.0709 19 I 4.6370 7.6512 115.0978 59.3136 38.6719 173.7470 20 P 5.0216 0.0000 0.0000 61.9290 31.7220 176.6537 21 S 4.2935 7.7394 116.5936 61.0128 62.6930 174.7956 22 Y 4.7574 8.4910 115.4476 57.5880 38.4759 176.2658 23 S 4.8774 8.2067 115.4307 58.7311 64.5032 174.8576 24 S 4.9214 7.7928 116.8522 57.8070 63.3241 172.3413 25 Y 4.7933 8.3133 122.0504 58.0828 40.5850 175.3805 26 G 3.4666 7.9609 116.1177 47.0783 0.0000 173.3341 27 C 4.6495 9.5851 116.9932 57.6501 41.1010 173.9588 28 Y 4.4887 8.5781 114.8640 57.8091 39.7195 175.3193 29 C 4.6975 8.3865 117.9065 59.7827 38.9055 173.0586 30 G 4.8008 8.6362 115.5281 46.2159 0.0000 173.2813 31 W 4.5050 8.4031 130.3916 56.9924 31.4476 176.8188 32 G 4.0222 8.0957 110.6172 41.3648 0.0000 178.0837 33 G 3.5739 7.4281 109.9336 45.8341 0.0000 174.8394 34 K 4.3488 8.5008 126.6563 55.5388 34.7441 176.0004 35 G 3.9280 8.4011 107.7560 45.3125 0.0000 172.2667 36 T 4.4192 7.7521 114.5708 61.1072 69.7260 173.0479 37 P 4.7320 0.0000 0.0000 62.7154 31.9505 176.7834 38 K 3.8722 8.7991 122.7599 59.1384 32.4517 176.1170 39 D 4.4705 7.2092 115.3707 51.4438 41.7965 174.8067 40 A 4.0001 8.8252 119.4669 56.1931 18.1584 179.9925 41 T 3.9960 7.9910 113.7292 66.9532 68.5769 176.2501 42 D 4.5560 8.7915 120.0368 57.3948 41.1265 178.5250 43 R 4.0016 8.1199 118.8103 59.1847 30.0235 178.2401 44 C 4.2248 8.2671 116.5753 60.2788 37.4274 175.5699 45 C 4.3733 8.1923 118.2067 59.6979 40.9229 175.7709 46 F 3.7430 8.2834 122.3800 61.3334 38.9482 177.3808 47 V 3.3096 8.0401 117.9646 66.0602 31.2852 177.3524 48 H 3.8305 8.0475 117.9458 59.2691 29.3766 176.9475 49 D 4.1829 8.3025 120.9873 57.5637 40.4043 178.2178 50 C 4.1701 7.4986 115.9385 59.8715 34.5469 174.9641 51 C 4.2584 8.3137 120.5078 59.9582 42.2765 175.3323 52 Y 4.2712 8.0121 118.4541 60.9925 37.2009 178.6185 53 G 3.6660 8.0809 105.8665 47.4546 0.0000 174.6528 54 N 4.6179 7.7211 116.0596 53.7824 40.0836 175.1610 55 L 4.7812 7.6235 120.5690 52.2563 41.9131 174.6011 56 P 4.1673 0.0000 0.0000 65.9500 32.0262 178.5396 *59 D 4.9501 7.8729 116.3086 54.2509 42.5252 175.3433 *61 C 5.2706 7.6546 115.8131 57.3554 41.0955 172.8818 *67 N 5.0871 8.3208 116.7351 52.2372 38.6929 173.2399 68 P 3.9910 0.0000 0.0000 65.5525 31.8455 179.8809 69 K 4.1713 7.9727 117.9116 58.0772 32.2521 178.2742 70 S 4.5642 7.8337 110.5173 57.9431 64.8739 173.4657 71 D 4.4822 8.2421 121.8769 53.6126 41.0024 175.7240 72 R 4.5785 8.6727 125.8016 55.0545 31.0166 175.1759 73 Y 4.9826 7.7050 118.5056 55.0533 41.4481 174.2797 74 K 4.9578 8.6193 118.4993 54.9108 35.2256 175.1124 75 Y 5.4991 8.2905 120.5803 55.6014 41.4912 173.5703 76 K 4.7075 9.3420 119.3635 55.4505 37.1325 174.6534 77 R 5.0404 8.5795 118.6157 54.6552 32.0404 177.1908 78 V 4.0783 8.5757 125.4102 62.1101 30.9599 174.0072 79 N 4.0500 9.4378 122.3284 53.0670 35.8037 173.1023 80 G 4.3111 8.3304 113.2147 45.4424 0.0000 172.2203 81 A 4.0767 7.6477 123.5135 51.7317 18.9877 176.1925 82 I 4.6065 8.1878 123.2160 60.8347 38.4116 175.6183 83 V 4.3613 9.1181 126.9586 61.0065 34.1335 173.9150 84 C 4.8193 8.8852 126.3841 57.1541 40.5429 173.6397 85 E 4.5836 8.9788 123.8344 54.8272 31.0404 176.4697 86 K 3.9998 8.5386 123.3014 56.7537 33.3701 175.9588 *88 G 4.3101 8.2901 114.5244 45.4121 0.0000 172.3987 89 T 4.2278 8.5153 113.2831 61.1110 71.0830 175.7153 90 S 4.1038 8.4691 116.1620 61.7244 62.8842 177.1991 91 C 4.2304 8.0892 119.5552 59.8548 40.9186 175.6353 92 E 3.9923 8.0721 119.9308 59.5817 29.1484 179.2703 93 N 4.2786 8.2845 116.3699 56.4824 38.7263 177.7836 94 R 3.9125 8.0033 119.4063 59.0254 30.1200 179.2132 95 I 3.6290 8.0768 120.1861 64.4185 37.1187 177.5147 96 C 3.1070 7.6910 119.1893 59.4208 40.4551 175.4790 97 E 3.8207 7.8402 119.7674 59.4773 29.0525 178.7763 98 C 4.1779 7.9789 116.2735 60.0864 40.0072 175.9368 99 D 4.0006 8.0307 120.4134 57.0123 40.4063 178.5619 100 K 3.7392 8.3416 120.3344 59.5457 32.0993 178.5488 101 A 3.8747 7.8588 120.6064 55.0534 18.2104 179.4766 102 A 3.4451 7.7752 118.8025 55.0056 18.4601 179.6122 103 A 3.8679 8.1313 119.5486 55.4805 18.3640 180.0076 104 I 3.6432 7.6608 118.2460 64.5100 37.0505 177.8323 105 C 4.1767 8.1677 119.4957 59.6625 43.1912 175.6458 106 F 4.4517 7.8432 118.7747 60.7147 38.5492 177.3286 107 R 4.0774 8.0650 118.2921 59.4406 29.6635 178.3451 108 Q 4.2020 8.2756 118.6461 57.9996 29.3626 176.2592 109 N 5.0560 7.6759 115.8827 52.8642 39.5451 176.2339 110 L 4.1557 7.8268 120.8033 58.1205 41.8583 179.4380 111 N 4.3868 8.3642 114.8529 55.9702 38.5143 175.6055 112 T 4.4573 7.6445 105.1034 61.0535 69.1565 174.0617 113 Y 4.0294 8.0687 125.2456 58.2682 39.3095 174.7465 114 S 4.9827 8.8223 121.6804 56.0888 64.8428 174.9027 115 K 4.1537 8.7681 127.2548 58.8438 32.0101 178.6018 116 K 4.0501 7.4681 116.6253 58.4172 32.7074 177.0925 117 Y 4.4058 7.3073 117.1380 57.9798 38.3552 175.3893 118 M 4.3094 7.3673 120.4745 56.2421 32.5101 175.9873 119 L 3.6590 8.6901 121.9002 55.4900 40.0369 174.5235 120 Y 4.1086 8.1288 118.4459 57.0883 39.3748 173.9466 121 P 4.3223 0.0000 0.0000 62.2005 32.4319 176.8682 122 D 4.1993 8.6932 122.0625 57.1836 41.3007 178.0786 *124 F 4.7575 7.8265 111.3775 56.4703 39.5424 175.3583 125 L 3.7521 6.7530 119.5536 55.2375 41.5995 176.6767 126 C 4.7158 7.9288 118.0232 55.1083 33.3759 172.7605 127 K 4.6955 8.7092 122.7361 54.7756 35.3290 175.8772 128 G 4.5816 7.7993 104.9178 44.1518 0.0000 172.2640 129 E 4.5673 8.0705 120.2631 54.0814 31.8933 175.1348 130 L 4.0954 8.2871 126.8153 54.4914 42.9731 173.9132 131 K 4.3468 8.3612 127.8193 55.5861 33.6045 177.2989 *133 C 4.8442 8.4708 119.2435 57.4595 41.5295 173.8955 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 1 S 8.09 5.36 0.00 4.21 4.13 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 0.00 0.00 0.00 2 L 8.33 4.05 0.00 1.85 1.90 1.16 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.39 4.02 0.00 1.77 1.72 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.03 4.07 0.00 1.76 1.91 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 1.84 2.29 0.00 5 F 8.65 4.71 0.00 3.34 3.19 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 0.00 6 G 8.60 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.06 4.05 0.00 1.91 2.15 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.53 7.81 8 M 8.35 4.05 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.47 0.00 9 I 7.64 3.57 1.80 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 1.10 0.12 0.67 0.00 0.00 10 L 7.73 4.43 0.00 1.77 1.83 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.08 4.00 0.00 2.20 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 2.41 2.69 0.00 12 E 8.29 4.12 0.00 2.14 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 0.00 2.48 2.55 0.00 13 T 8.24 4.42 4.26 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 1.24 0.00 0.00 14 G 8.22 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 K 7.44 4.47 0.00 1.89 1.64 0.00 1.51 0.00 0.00 0.91 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.26 7.81 17 L 8.14 4.46 0.00 1.76 1.65 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.86 4.07 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 19 I 7.65 4.64 1.91 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 1.54 0.73 0.95 0.00 0.00 20 P 0.00 5.02 0.00 2.19 2.15 0.00 3.37 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 21 S 7.74 4.29 0.00 3.76 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.49 4.76 0.00 2.71 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.21 4.88 0.00 4.09 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 0.00 24 S 7.79 4.92 0.00 4.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.31 4.79 0.00 3.10 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 26 G 7.96 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.59 4.65 0.00 2.92 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 28 Y 8.58 4.49 0.00 3.24 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 29 C 8.39 4.70 0.00 3.49 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.64 4.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.40 4.51 0.00 3.21 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.10 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.43 3.57 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 0.00 0.00 0.00 34 K 8.50 4.35 0.00 2.04 1.91 0.00 1.93 0.00 0.00 1.82 0.00 0.00 3.53 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.52 7.81 35 G 8.40 3.93 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 0.00 36 T 7.75 4.42 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 1.14 0.00 0.00 37 P 0.00 4.73 0.00 1.90 1.95 0.00 3.44 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 38 K 8.80 3.87 0.00 0.79 0.74 0.00 1.05 0.00 0.00 1.29 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.09 0.29 7.81 39 D 7.21 4.47 0.00 2.78 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.83 4.00 1.41 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 0.00 0.00 41 T 7.99 4.00 4.18 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 1.01 0.00 0.00 42 D 8.79 4.56 0.00 2.98 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 43 R 8.12 4.00 0.00 2.10 1.97 0.00 3.13 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.83 0.00 44 C 8.27 4.22 0.00 3.29 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 45 C 8.19 4.37 0.00 3.35 3.50 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 46 F 8.28 3.74 0.00 2.54 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 47 V 8.04 3.31 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 0.77 0.00 0.00 1.01 0.00 0.00 48 H 8.05 3.83 0.00 3.15 3.30 0.00 5.64 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 49 D 8.30 4.18 0.00 2.68 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 50 C 7.50 4.17 0.00 2.80 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.31 4.26 0.00 2.92 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 52 Y 8.01 4.27 0.00 3.09 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.08 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 0.00 0.00 0.00 54 N 7.72 4.62 0.00 2.84 2.84 0.00 0.00 6.79 7.71 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 55 L 7.62 4.78 0.00 1.47 1.51 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.17 0.00 2.19 2.30 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 *59 D 7.87 4.95 0.00 2.76 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 *61 C 7.65 5.27 0.00 3.01 2.99 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 *67 N 8.32 5.09 0.00 2.73 2.77 0.00 0.00 7.34 8.03 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 68 P 0.00 3.99 0.00 0.70 1.27 0.00 3.55 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.25 0.00 69 K 7.97 4.17 0.00 1.85 1.95 0.00 1.65 0.00 0.00 1.95 0.00 0.00 3.11 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.65 1.46 7.81 70 S 7.83 4.56 0.00 3.93 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 71 D 8.24 4.48 0.00 2.70 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.67 4.58 0.00 1.82 1.76 0.00 3.22 0.00 0.00 2.74 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 73 Y 7.71 4.98 0.00 3.04 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 74 K 8.62 4.96 0.00 1.75 1.90 0.00 1.63 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.36 7.81 75 Y 8.29 5.50 0.00 3.07 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 76 K 9.34 4.71 0.00 1.79 1.91 0.00 1.27 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.44 7.81 77 R 8.58 5.04 0.00 1.73 1.93 0.00 3.41 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 78 V 8.58 4.08 2.10 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 0.80 0.00 0.00 0.96 0.00 0.00 79 N 9.44 4.05 0.00 2.87 2.82 0.00 0.00 7.40 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 80 G 8.33 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 0.00 0.00 0.00 0.00 81 A 7.65 4.08 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 82 I 8.19 4.61 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.59 0.78 0.00 0.00 83 V 9.12 4.36 2.15 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 1.08 0.00 0.00 0.97 0.00 0.00 84 C 8.89 4.82 0.00 2.87 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 85 E 8.98 4.58 0.00 2.07 1.91 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 2.35 2.32 0.00 86 K 8.54 4.00 0.00 1.79 1.70 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.45 7.81 *88 G 8.29 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 0.00 0.00 0.00 0.00 89 T 8.52 4.23 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 1.27 0.00 0.00 90 S 8.47 4.10 0.00 4.05 4.15 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 91 C 8.09 4.23 0.00 2.97 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 92 E 8.07 3.99 0.00 2.32 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 0.00 2.57 2.62 0.00 93 N 8.28 4.28 0.00 2.85 2.82 0.00 0.00 7.06 7.26 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 94 R 8.00 3.91 0.00 1.92 1.91 0.00 3.09 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 95 I 8.08 3.63 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.89 0.98 0.00 0.00 96 C 7.69 3.11 0.00 1.88 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 7.84 3.82 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 98 C 7.98 4.18 0.00 3.22 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 99 D 8.03 4.00 0.00 2.87 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 0.00 100 K 8.34 3.74 0.00 1.68 1.91 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.38 7.81 101 A 7.86 3.87 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 0.00 102 A 7.78 3.45 1.09 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 0.00 103 A 8.13 3.87 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 0.00 104 I 7.66 3.64 1.92 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 1.37 0.67 0.87 0.00 0.00 105 C 8.17 4.18 0.00 2.96 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 0.00 106 F 7.84 4.45 0.00 3.00 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 0.00 107 R 8.06 4.08 0.00 1.98 2.12 0.00 3.17 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 108 Q 8.28 4.20 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 109 N 7.68 5.06 0.00 2.85 2.84 0.00 0.00 6.84 8.09 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 0.00 110 L 7.83 4.16 0.00 1.93 1.77 0.98 0.59 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 0.00 111 N 8.36 4.39 0.00 2.76 2.94 0.00 0.00 6.81 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 0.00 112 T 7.64 4.46 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 113 Y 8.07 4.03 0.00 3.08 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 0.00 114 S 8.82 4.98 0.00 3.91 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 0.00 115 K 8.77 4.15 0.00 1.86 1.88 0.00 1.77 0.00 0.00 1.90 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.67 1.61 7.81 116 K 7.47 4.05 0.00 1.59 1.70 0.00 1.24 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.72 0.30 7.81 117 Y 7.31 4.41 0.00 1.81 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 M 7.37 4.31 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.62 0.00 119 L 8.69 3.66 0.00 1.76 1.72 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.13 4.11 0.00 3.05 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 0.00 121 P 0.00 4.32 0.00 2.13 2.02 0.00 2.30 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 122 D 8.69 4.20 0.00 2.44 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 *124 F 7.83 4.76 0.00 3.24 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 0.00 125 L 6.75 3.75 0.00 0.99 1.49 0.31 0.19 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 0.00 126 C 7.93 4.72 0.00 3.16 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 0.00 127 K 8.71 4.70 0.00 1.90 1.89 0.00 1.51 0.00 0.00 2.05 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.39 7.81 128 G 7.80 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.07 4.57 0.00 1.90 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 2.20 2.21 0.00 130 L 8.29 4.10 0.00 1.46 1.23 -0.12 0.47 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 0.00 131 K 8.36 4.35 0.00 1.87 1.69 0.00 1.83 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.50 7.81 *133 C 8.47 4.84 0.00 2.97 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 * Residues marked with a * may have inaccurate shift predictions.