NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 Q 4.1793 8.3331 118.8230 57.4575 28.7188 172.6276 0 G 3.4849 9.7618 113.6139 44.0703 0.0000 167.4766 2 K 4.0623 7.5258 118.4025 55.9638 36.2456 172.7900 3 Q 4.2282 8.7017 128.0317 55.7573 29.8841 174.3912 4 E 4.6399 8.0499 123.3155 54.6356 32.9605 174.4279 5 F 4.6114 8.5905 123.9596 57.4109 40.5431 174.5589 6 V 4.2578 8.6212 123.0320 62.6664 31.3803 175.7667 7 A 4.3725 9.1587 130.7122 54.7447 19.1291 177.2869 8 A 4.6540 7.8163 114.5529 50.9901 22.8202 175.3527 9 I 4.9652 8.3500 120.9643 59.4929 39.9956 174.8994 10 E 4.6444 9.1796 127.2168 54.7075 33.3854 173.7420 11 I 4.8589 8.4090 127.9483 60.0233 38.5660 175.6784 12 D 4.6711 9.0316 128.5549 52.0710 41.0065 177.2826 13 G 3.6008 8.5054 107.0329 48.4337 0.0000 174.2497 14 T 4.1331 8.0216 112.1345 62.0104 67.6531 175.0481 15 G 4.0120 8.1812 108.9312 45.8147 0.0000 174.1951 16 R 4.1087 8.1935 119.5356 55.9000 31.0861 175.0279 17 I 4.7658 8.2060 122.0152 60.1178 39.9471 173.8721 18 H 5.3794 9.7530 127.2554 53.9757 31.7717 173.2504 19 V 4.7388 9.2559 123.1923 61.5970 33.9465 174.4577 20 T 4.8038 8.8288 126.3801 61.4389 69.5551 173.0262 21 P 4.7374 0.0000 0.0000 62.3028 31.8143 177.2815 22 G 3.9503 8.8698 110.2460 49.3397 0.0000 174.1760 23 E 4.8850 8.3990 113.5414 57.1816 34.5764 175.9685 24 S 4.2202 8.7517 115.0291 57.7994 63.5407 173.2843 25 Q 3.7647 7.6388 119.8071 54.2102 31.5776 175.5970 26 F 4.4425 5.4600 115.4695 55.1396 39.4250 174.0604 27 P 4.2982 0.0000 0.0000 65.5199 31.9161 177.6192 28 Y 4.6594 7.7170 113.1928 57.8085 38.3137 176.9131 29 I 3.6773 8.0171 123.6771 64.5358 37.8511 177.3753 30 Y 4.4597 8.1333 119.2558 59.5162 37.4466 178.1856 31 R 3.8543 6.9714 118.3435 57.7203 30.1413 177.7184 32 E 4.2314 8.0893 117.4594 55.4034 30.5326 175.4081 33 A 3.5233 7.5580 123.2251 52.5848 15.6290 176.5034 *35 E 4.2823 8.2533 116.8528 55.9086 31.7156 175.8717 36 V 4.3906 7.5400 119.0743 61.7571 33.7504 174.8113 37 S 5.1063 8.6365 121.3941 56.4726 67.4513 172.4391 38 W 5.2334 8.9264 131.1116 55.7884 32.8861 174.1636 39 N 4.6334 8.5117 126.8990 51.7642 39.1771 174.9866 40 E 3.8323 8.7345 128.6240 58.8171 30.1880 178.1482 41 S 4.2311 8.0875 112.9344 60.4461 63.2785 174.7286 42 T 4.2138 7.7515 108.3314 60.3481 69.5360 174.2433 43 R 2.8901 7.2018 120.8022 56.9562 28.2637 175.7528 44 S 4.8182 5.9135 110.7205 56.4701 67.5097 174.8027 45 L 5.1747 9.0487 122.4086 55.0283 43.0793 175.6269 46 H 5.4107 8.9566 117.4522 54.3031 32.5219 172.9270 47 S 4.9044 8.2757 114.9587 56.6951 64.9622 171.6232 48 P 4.6078 0.0000 0.0000 61.3743 32.2109 176.3631 49 V 3.7313 8.0374 119.2184 62.1290 31.8444 173.9819 50 P 4.5161 0.0000 0.0000 63.0602 31.8321 175.7071 51 R 4.3620 7.8153 111.1666 55.3454 31.3976 174.5892 52 E 4.2264 8.7668 121.1540 55.7157 30.2182 176.3719 53 W 4.2877 8.6610 131.2265 57.3843 31.4225 176.0984 54 S 4.4956 7.7169 118.7366 55.8919 65.1917 174.0160 55 Y 4.0899 8.6604 126.7788 60.9664 37.7105 178.1268 56 A 4.0070 8.1429 121.2363 55.4516 18.4915 179.4059 57 Q 3.9040 7.6182 116.3025 59.0652 28.7450 179.3664 58 W 3.9144 8.0100 119.9192 59.4534 28.9172 178.3720 59 L 4.0069 8.4395 120.7835 58.3088 41.4650 179.0646 60 Q 3.8401 8.1266 118.1441 58.8306 28.5789 178.5317 61 Q 3.8625 8.5099 120.8993 59.2159 29.1213 178.5168 62 I 3.8731 8.3450 121.1703 64.6061 37.2274 178.4308 63 F 4.2266 8.9749 118.8676 60.5764 38.7918 177.6526 64 A 4.0539 8.4746 120.5466 54.9915 18.2479 179.5432 65 A 3.9664 8.3141 119.1964 55.3298 18.4740 179.7635 66 A 4.0174 8.0607 119.4134 55.2207 18.4121 180.0272 67 S 4.4726 8.0250 114.1808 61.0064 62.8919 176.5864 68 E 4.0984 8.0130 120.9951 58.3592 29.1276 177.9626 69 Q 4.6557 7.3535 116.1990 55.4009 29.8434 175.8377 70 G 3.7992 7.9914 106.5669 46.2245 0.0000 174.3876 71 V 4.0817 7.8164 119.1089 60.4951 33.6056 174.4588 72 K 4.4399 8.4721 129.3840 54.6993 31.5446 175.7822 73 L 4.0499 7.7353 126.3780 54.4392 42.2695 177.2842 74 V 4.6647 7.5848 113.6020 59.6960 35.6901 175.0258 75 L 4.4134 8.6138 122.7013 54.1227 42.7424 176.4005 76 G 4.3229 9.4588 111.4563 42.7282 0.0000 172.2559 77 P 4.3133 0.0000 0.0000 65.2167 31.3397 177.4587 78 N 4.7462 8.0304 112.9715 53.2099 38.7741 175.1116 79 T 3.7962 7.8045 116.9134 63.8240 68.7314 173.8771 80 R 4.3647 8.3314 125.9571 54.8827 31.1170 175.7351 81 W 4.5319 8.9223 122.9307 54.8719 30.6645 175.3974 82 V 4.1986 8.2883 123.7386 61.8520 32.0488 174.7098 83 N 4.3157 8.9270 125.8657 54.7048 36.9940 173.8291 84 V 4.2183 7.0690 114.2272 59.7179 32.2072 173.9909 85 P 4.3581 0.0000 0.0000 62.4855 33.1949 176.5370 86 N 4.0588 8.7360 118.3182 56.8533 38.4633 177.2292 87 E 3.8181 7.9815 119.3943 59.3365 29.9947 178.1358 88 L 3.9561 7.9845 119.8962 58.4315 41.9214 178.8149 89 R 3.5549 8.1013 118.4254 59.0103 29.9147 178.4127 90 A 3.7896 7.7577 120.4990 55.2280 18.4618 179.2493 91 E 3.9156 8.5033 118.2454 59.4451 29.7203 179.0480 92 L 4.1128 8.5935 119.4943 57.8811 41.4318 179.5407 93 T 4.0670 7.9137 115.9105 67.0515 68.3436 176.2112 94 H 4.2361 8.4661 119.9205 59.1287 29.6582 177.1717 95 A 3.9269 8.0910 121.6515 54.8681 18.2402 179.0291 96 A 3.8436 7.7231 117.4872 54.1085 18.5979 179.1717 97 A 4.2041 7.2276 117.2999 54.4983 19.2460 177.1761 98 A 4.0634 7.9284 123.7662 52.4860 18.4989 177.1067 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 Q 8.33 4.18 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 5.94 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 0 G 9.76 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 0.00 0.00 0.00 2 K 7.53 4.06 0.00 1.64 1.64 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.22 1.30 7.81 3 Q 8.70 4.23 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.44 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 4 E 8.05 4.64 0.00 1.93 1.78 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 2.29 2.40 0.00 5 F 8.59 4.61 0.00 3.09 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.62 4.26 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 0.85 0.00 0.00 1.01 0.00 0.00 7 A 9.16 4.37 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 8 A 7.82 4.65 1.22 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 9 I 8.35 4.97 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.02 0.94 0.00 0.00 10 E 9.18 4.64 0.00 1.99 1.72 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 2.15 2.27 0.00 11 I 8.41 4.86 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 1.42 0.73 0.97 0.00 0.00 12 D 9.03 4.67 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.51 3.60 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 0.00 0.00 0.00 14 T 8.02 4.13 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 1.29 0.00 0.00 15 G 8.18 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 0.00 0.00 0.00 16 R 8.19 4.11 0.00 2.07 1.93 0.00 3.30 0.00 0.00 3.07 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.56 0.00 17 I 8.21 4.77 1.89 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 1.25 1.44 0.92 0.00 0.00 18 H 9.75 5.38 0.00 3.22 3.18 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.26 4.74 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 1.11 0.00 0.00 0.96 0.00 0.00 20 T 8.83 4.80 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 1.34 0.00 0.00 21 P 0.00 4.74 0.00 2.37 2.34 0.00 4.18 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.46 0.00 22 G 8.87 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 0.00 0.00 0.00 23 E 8.40 4.88 0.00 2.05 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 0.00 2.24 2.48 0.00 24 S 8.75 4.22 0.00 3.86 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 25 Q 7.64 3.76 0.00 1.67 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.41 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 26 F 5.46 4.44 0.00 2.70 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 27 P 0.00 4.30 0.00 1.81 2.11 0.00 3.30 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 28 Y 7.72 4.66 0.00 2.87 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.02 3.68 2.15 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.46 1.20 0.00 0.00 30 Y 8.13 4.46 0.00 3.31 3.28 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 31 R 6.97 3.85 0.00 1.56 1.72 0.00 2.31 0.00 0.00 2.75 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.50 0.00 32 E 8.09 4.23 0.00 2.01 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 2.42 2.45 0.00 33 A 7.56 3.52 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 *35 E 8.25 4.28 0.00 2.04 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 2.26 2.31 0.00 36 V 7.54 4.39 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 0.99 0.00 0.00 0.93 0.00 0.00 37 S 8.64 5.11 0.00 3.51 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 38 W 8.93 5.23 0.00 3.54 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 39 N 8.51 4.63 0.00 2.78 2.51 0.00 0.00 6.43 7.20 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 40 E 8.73 3.83 0.00 2.14 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 2.44 2.44 0.00 41 S 8.09 4.23 0.00 3.98 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 42 T 7.75 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 1.16 0.00 0.00 43 R 7.20 2.89 0.00 1.91 2.09 0.00 3.21 0.00 0.00 3.35 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.71 0.00 44 S 5.91 4.82 0.00 3.85 3.82 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 45 L 9.05 5.17 0.00 1.69 1.66 0.64 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.96 5.41 0.00 2.93 3.00 0.00 5.45 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.28 4.90 0.00 3.96 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 48 P 0.00 4.61 0.00 2.09 2.08 0.00 3.71 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 2.06 2.10 0.00 49 V 8.04 3.73 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 0.87 0.00 0.00 0.92 0.00 0.00 50 P 0.00 4.52 0.00 2.23 2.06 0.00 3.86 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 1.99 2.07 0.00 51 R 7.82 4.36 0.00 1.82 1.85 0.00 2.86 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.55 0.00 52 E 8.77 4.23 0.00 2.02 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 2.35 2.32 0.00 53 W 8.66 4.29 0.00 3.39 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 54 S 7.72 4.50 0.00 3.78 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.66 4.09 0.00 3.16 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 56 A 8.14 4.01 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.62 3.90 0.00 1.84 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 58 W 8.01 3.91 0.00 3.19 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 59 L 8.44 4.01 0.00 1.78 1.75 0.89 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 8.13 3.84 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 61 Q 8.51 3.86 0.00 1.77 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.00 2.47 0.00 62 I 8.34 3.87 2.25 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 1.72 1.33 1.09 0.00 0.00 63 F 8.97 4.23 0.00 3.11 3.12 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 64 A 8.47 4.05 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 65 A 8.31 3.97 1.44 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 0.00 0.00 66 A 8.06 4.02 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 67 S 8.03 4.47 0.00 4.08 4.30 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 68 E 8.01 4.10 0.00 2.17 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 2.56 2.50 0.00 69 Q 7.35 4.66 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.36 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 70 G 7.99 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 71 V 7.82 4.08 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 0.87 0.00 0.00 0.95 0.00 0.00 72 K 8.47 4.44 0.00 1.72 1.70 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.44 7.81 73 L 7.74 4.05 0.00 0.27 0.64 0.55 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.58 4.66 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 0.75 0.00 0.00 0.92 0.00 0.00 75 L 8.61 4.41 0.00 1.78 1.74 1.19 0.86 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 76 G 9.46 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.09 2.17 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 78 N 8.03 4.75 0.00 2.70 2.86 0.00 0.00 6.93 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 79 T 7.80 3.80 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 80 R 8.33 4.36 0.00 1.74 1.85 0.00 3.18 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 81 W 8.92 4.53 0.00 3.22 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 82 V 8.29 4.20 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 1.02 0.00 0.00 0.95 0.00 0.00 83 N 8.93 4.32 0.00 2.89 2.89 0.00 0.00 7.01 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 84 V 7.07 4.22 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 0.96 0.00 0.00 1.16 0.00 0.00 85 P 0.00 4.36 0.00 2.17 1.95 0.00 3.64 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 86 N 8.74 4.06 0.00 2.70 2.83 0.00 0.00 6.59 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 87 E 7.98 3.82 0.00 2.00 1.92 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 2.36 2.34 0.00 88 L 7.98 3.96 0.00 1.78 1.79 1.02 0.58 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 89 R 8.10 3.55 0.00 1.82 1.65 0.00 2.56 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.01 0.00 90 A 7.76 3.79 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 91 E 8.50 3.92 0.00 2.01 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 0.00 2.34 2.36 0.00 92 L 8.59 4.11 0.00 2.11 1.98 1.13 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.91 4.07 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 1.29 0.00 0.00 94 H 8.47 4.24 0.00 3.20 3.42 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.09 3.93 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 96 A 7.72 3.84 1.29 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 0.00 0.00 97 A 7.23 4.20 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 98 A 7.93 4.06 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 * Residues marked with a * may have inaccurate shift predictions.