NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 K 4.1416 8.3149 122.1333 54.2580 33.9066 175.4842 *2 I 3.9550 7.4691 120.2173 62.1511 38.2959 175.5471 3 T 4.9840 8.3594 120.6640 61.3989 68.4630 173.0539 4 P 4.6841 0.0000 0.0000 61.7447 32.4310 176.5941 5 R 4.3272 8.5484 121.1037 56.8801 30.9913 175.2741 6 F 5.7852 8.4298 119.7826 55.7894 41.5637 173.2254 7 S 4.7373 9.0408 112.8817 57.2669 66.8414 172.9589 8 I 5.3581 8.2707 120.7156 60.2895 41.0482 174.3864 9 T 5.0325 8.8633 116.4244 60.3118 72.5861 172.0895 10 Q 5.2319 8.5533 117.9941 55.7344 31.0125 173.6193 11 D 4.9617 8.9569 119.0856 52.4681 41.5310 175.9411 12 E 4.1795 8.9427 113.9559 58.4884 30.4461 177.6764 13 E 4.2601 7.9109 116.4849 56.0964 31.4499 174.9588 14 F 5.2195 8.6536 116.4682 55.3144 43.6933 173.8979 15 I 4.5382 8.0980 114.0789 59.2726 40.4066 174.8323 16 F 5.1481 9.2195 123.7664 55.7800 41.0555 173.4788 17 L 4.9000 9.0869 127.3637 53.7520 43.8362 175.0379 18 K 4.8048 9.2835 128.0805 54.7884 34.6562 174.5398 19 I 4.4767 8.3279 129.6241 59.4031 39.3297 175.0020 20 F 4.9840 8.7909 127.4467 56.8873 39.3989 175.4706 21 I 4.3461 8.5915 116.6377 59.2313 40.6345 174.8507 22 S 4.7708 8.6539 118.9015 57.8776 66.7258 173.9185 23 N 4.0880 8.6265 118.1871 54.7264 35.5989 172.7164 24 I 4.4640 7.1464 116.5212 58.9542 41.4690 174.2237 25 R 4.4293 7.8643 121.1858 54.2261 32.8884 175.7853 26 F 4.6106 8.4765 121.2510 56.9844 40.6589 174.4804 27 S 4.5649 8.1065 115.3119 57.3489 65.3748 174.9920 28 A 4.2094 8.5243 122.5268 54.6459 18.0396 178.4983 29 V 4.4706 7.3549 104.3790 60.6489 34.0565 176.7287 30 G 3.6212 7.8647 107.8194 46.9551 0.0000 173.4252 31 L 4.6253 7.7626 122.1727 53.2966 43.6936 174.9792 32 E 4.7049 9.0375 127.9084 54.4153 32.2406 174.5466 33 I 5.1568 8.3578 126.5299 59.7784 40.7237 174.5076 34 I 4.5991 9.1020 128.4622 59.4712 40.0252 174.9055 35 I 4.8611 8.1805 126.2836 59.6898 40.3698 175.1307 36 Q 4.3250 9.0222 127.4876 56.1163 32.2654 174.4841 37 E 3.6534 8.6431 127.7386 57.8956 29.4544 176.7667 38 N 5.0010 8.6934 123.9333 52.3307 35.8309 172.5266 *40 I 4.5138 7.3430 122.2954 61.9806 39.8685 175.5415 41 I 4.8714 8.9287 127.4480 59.3429 40.3787 174.2207 42 F 5.2322 9.0741 129.0614 56.5834 42.4054 173.1299 43 H 5.2037 9.1512 125.8040 54.5546 32.7454 171.5814 44 L 4.5928 8.4030 128.5555 52.1700 42.4201 173.6611 45 S 4.1674 8.0254 114.4234 57.1896 63.0031 172.5268 46 P 4.5948 0.0000 0.0000 63.8259 31.9904 175.7756 47 Y 4.8074 7.9568 118.9792 58.4495 39.1832 174.2218 48 Y 5.2937 9.1965 124.5723 56.2966 41.9359 174.0745 49 L 4.6422 8.9206 126.6066 52.7109 45.9892 175.6304 50 R 4.7296 8.2095 122.1149 54.6008 32.9607 173.6064 51 L 5.0698 8.9302 126.5558 52.7547 45.0042 176.0409 52 R 4.7968 8.8952 123.2604 54.7285 30.4661 175.4371 53 F 4.6889 9.4289 125.5290 55.8768 41.0232 175.1067 54 P 3.8233 0.0000 0.0000 64.2044 31.4675 175.5202 55 H 4.6434 6.7298 112.4797 54.4299 33.1525 172.2765 56 E 4.7019 8.4976 119.1242 56.1065 31.1250 175.9625 57 L 5.2063 8.8811 122.1516 53.0450 45.3848 175.6447 58 I 4.5338 8.3673 119.7886 59.4908 40.8837 174.1174 59 D 4.4995 8.8443 129.7641 54.2057 41.9080 174.6454 60 D 4.5485 8.1770 124.8016 52.8786 41.7565 174.9813 61 E 3.9849 8.9302 118.4659 59.8450 29.6334 179.3425 62 R 4.1588 8.3648 116.9565 58.4236 30.4564 177.2427 63 S 4.5207 7.7263 114.2915 59.5582 63.3857 174.3340 64 T 4.8113 8.6795 119.1634 62.2041 73.3305 172.7254 65 A 5.1790 8.4075 125.4091 50.4806 22.3391 175.2469 66 Q 4.4538 9.0531 122.9138 54.4211 32.8437 173.2722 67 Y 4.8652 8.6316 127.3619 57.1675 40.3071 173.7299 68 D 4.6151 8.7316 126.7250 52.4042 43.6322 176.6504 69 S 4.0450 8.4376 120.9967 60.7307 64.0558 176.6319 70 K 4.0188 8.1168 119.5563 59.5480 31.7916 177.8491 71 D 4.4600 8.7548 116.2214 54.6142 41.7941 176.0672 72 E 3.8463 7.5446 117.7065 56.8498 27.3010 172.6192 73 C 5.0492 7.8274 112.4695 57.1484 34.4386 174.2194 74 I 4.8704 8.4611 120.6850 60.0112 38.9099 174.6264 75 N 5.0861 9.4946 125.8238 51.9949 40.2312 174.1473 76 V 4.7374 9.3492 125.6899 60.8217 34.4184 174.1187 77 K 4.8084 9.1704 129.3789 54.6558 34.5522 174.6928 78 V 4.7435 8.3300 127.1346 60.7884 34.8942 174.5057 79 A 4.3893 8.4581 127.9704 51.4991 19.8587 176.7743 80 K 4.1705 8.1470 121.1856 55.8460 32.3345 177.1739 81 L 4.0796 8.7716 127.3054 57.5020 42.7895 177.1532 82 N 4.9433 7.9609 115.9090 50.6106 41.0921 173.7241 83 K 3.9756 8.3988 124.5493 57.8828 32.7809 176.5491 84 N 4.5471 9.1765 122.1180 53.1526 37.0935 173.9230 85 E 4.3292 7.6513 120.2674 55.2203 30.3768 175.0970 86 Y 4.4945 8.6635 127.5931 57.1625 39.7126 174.1411 87 F 4.6525 8.6428 126.3909 55.6226 40.1961 175.5492 88 E 4.2296 8.4577 123.7941 56.7498 30.9432 176.2391 89 D 4.9875 8.8701 118.2902 55.4914 38.1632 176.1522 90 L 4.1673 7.4280 121.3370 57.3648 41.6001 177.8514 91 D 4.6445 8.0788 115.9969 53.6917 40.4291 176.6402 92 L 4.6914 7.5195 120.8023 52.4133 41.5184 174.7512 93 P 4.1649 0.0000 0.0000 66.4121 31.5465 178.2570 94 T 3.8191 7.7300 109.4144 65.2201 67.0225 174.9617 95 K 4.2261 8.3683 120.5419 58.6897 32.3799 178.6355 96 L 3.9995 8.1957 118.3200 55.0892 41.3875 177.0462 97 L 4.2868 6.9741 119.8976 54.4150 42.0517 177.0315 98 A 4.1490 8.3306 125.6900 52.5745 18.2009 176.9376 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 K 8.31 4.14 0.00 1.79 1.76 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 *2 I 7.47 3.96 1.76 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.31 1.09 0.00 0.00 3 T 8.36 4.98 4.36 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 1.35 0.00 0.00 4 P 0.00 4.68 0.00 2.07 2.02 0.00 3.79 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.40 0.00 5 R 8.55 4.33 0.00 1.91 1.91 0.00 2.92 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.57 0.00 6 F 8.43 5.79 0.00 3.09 2.87 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 0.00 0.00 0.00 0.00 7 S 9.04 4.74 0.00 3.92 3.99 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 8 I 8.27 5.36 2.03 0.00 0.00 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 1.65 0.90 1.14 0.00 0.00 9 T 8.86 5.03 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 1.24 0.00 0.00 10 Q 8.55 5.23 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 11 D 8.96 4.96 0.00 3.01 3.02 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 12 E 8.94 4.18 0.00 2.15 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 2.34 2.25 0.00 13 E 7.91 4.26 0.00 1.80 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 1.47 1.72 0.00 14 F 8.65 5.22 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 0.00 0.00 0.00 15 I 8.10 4.54 1.71 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.61 0.22 0.00 0.00 16 F 9.22 5.15 0.00 2.89 2.95 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 17 L 9.09 4.90 0.00 1.82 1.70 1.02 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 18 K 9.28 4.80 0.00 1.71 1.66 0.00 1.64 0.00 0.00 1.48 0.00 0.00 2.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.39 0.98 7.81 19 I 8.33 4.48 1.43 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.21 0.44 0.00 0.00 20 F 8.79 4.98 0.00 3.05 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 21 I 8.59 4.35 1.60 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.79 0.55 0.00 0.00 22 S 8.65 4.77 0.00 4.04 3.87 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 0.00 0.00 0.00 0.00 23 N 8.63 4.09 0.00 2.86 2.83 0.00 0.00 6.71 7.45 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 24 I 7.15 4.46 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.44 0.20 0.00 0.00 25 R 7.86 4.43 0.00 1.69 1.72 0.00 3.22 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 26 F 8.48 4.61 0.00 3.01 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 27 S 8.11 4.56 0.00 3.97 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 28 A 8.52 4.21 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 29 V 7.35 4.47 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 0.72 0.00 0.00 0.92 0.00 0.00 30 G 7.86 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 0.00 0.00 0.00 31 L 7.76 4.63 0.00 1.72 1.62 0.79 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.04 4.70 0.00 2.00 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 2.21 2.26 0.00 33 I 8.36 5.16 1.91 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.80 0.98 0.00 0.00 34 I 9.10 4.60 1.90 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 1.25 0.71 0.94 0.00 0.00 35 I 8.18 4.86 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.62 0.91 0.00 0.00 36 Q 9.02 4.33 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.17 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 37 E 8.64 3.65 0.00 2.23 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 0.00 0.00 0.00 2.32 2.29 0.00 38 N 8.69 5.00 0.00 3.08 3.01 0.00 0.00 5.92 7.87 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 *40 I 7.34 4.51 2.06 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 1.38 0.85 1.02 0.00 0.00 41 I 8.93 4.87 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.68 0.91 0.00 0.00 42 F 9.07 5.23 0.00 3.08 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 43 H 9.15 5.20 0.00 3.24 3.06 0.00 5.60 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.40 4.59 0.00 1.22 1.56 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.03 4.17 0.00 3.74 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 46 P 0.00 4.59 0.00 2.00 1.98 0.00 3.43 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.54 0.00 47 Y 7.96 4.81 0.00 3.37 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 48 Y 9.20 5.29 0.00 2.89 2.87 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 0.00 0.00 0.00 0.00 49 L 8.92 4.64 0.00 1.41 1.15 0.31 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.21 4.73 0.00 1.72 1.75 0.00 3.27 0.00 0.00 3.48 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 51 L 8.93 5.07 0.00 1.38 1.05 0.65 0.20 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 52 R 8.90 4.80 0.00 1.72 1.74 0.00 3.23 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 53 F 9.43 4.69 0.00 3.16 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 54 P 0.00 3.82 0.00 1.92 1.95 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 55 H 6.73 4.64 0.00 1.91 2.93 0.00 5.65 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 56 E 8.50 4.70 0.00 1.95 1.88 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 2.37 2.35 0.00 57 L 8.88 5.21 0.00 1.37 1.57 0.42 0.58 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 58 I 8.37 4.53 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.79 0.86 0.00 0.00 59 D 8.84 4.50 0.00 2.83 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 60 D 8.18 4.55 0.00 2.94 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 61 E 8.93 3.98 0.00 1.95 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 2.31 2.35 0.00 62 R 8.36 4.16 0.00 2.16 2.28 0.00 3.35 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 1.81 1.66 0.00 63 S 7.73 4.52 0.00 3.86 3.81 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 64 T 8.68 4.81 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 1.16 0.00 0.00 65 A 8.41 5.18 1.21 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 0.00 0.00 0.00 66 Q 9.05 4.45 0.00 2.09 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 67 Y 8.63 4.87 0.00 2.87 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 68 D 8.73 4.62 0.00 2.47 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 0.00 0.00 0.00 0.00 69 S 8.44 4.05 0.00 4.14 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 0.00 70 K 8.12 4.02 0.00 1.86 1.89 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.44 7.81 71 D 8.75 4.46 0.00 2.64 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 72 E 7.54 3.85 0.00 2.38 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 2.34 2.37 0.00 73 C 7.83 5.05 0.00 2.51 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 0.00 0.00 0.00 0.00 74 I 8.46 4.87 1.93 0.00 0.00 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 1.67 1.06 1.06 0.00 0.00 75 N 9.49 5.09 0.00 2.63 2.72 0.00 0.00 6.04 8.02 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 76 V 9.35 4.74 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 0.94 0.00 0.00 0.95 0.00 0.00 77 K 9.17 4.81 0.00 1.68 1.47 0.00 1.32 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.77 0.50 7.81 78 V 8.33 4.74 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 0.88 0.00 0.00 0.87 0.00 0.00 79 A 8.46 4.39 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 80 K 8.15 4.17 0.00 1.48 1.72 0.00 1.57 0.00 0.00 1.29 0.00 0.00 2.21 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.75 1.09 7.81 81 L 8.77 4.08 0.00 1.62 1.84 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 82 N 7.96 4.94 0.00 3.04 2.67 0.00 0.00 6.78 7.11 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 83 K 8.40 3.98 0.00 1.63 1.67 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.35 7.81 84 N 9.18 4.55 0.00 2.90 3.05 0.00 0.00 6.91 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 85 E 7.65 4.33 0.00 1.91 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 2.25 2.14 0.00 86 Y 8.66 4.49 0.00 2.98 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 87 F 8.64 4.65 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 88 E 8.46 4.23 0.00 2.20 2.27 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 2.34 2.31 0.00 89 D 8.87 4.99 0.00 2.92 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 90 L 7.43 4.17 0.00 1.61 1.95 0.99 1.25 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 91 D 8.08 4.64 0.00 2.79 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 92 L 7.52 4.69 0.00 1.87 1.61 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.16 0.00 1.63 0.99 0.00 3.52 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 1.84 1.94 0.00 94 T 7.73 3.82 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 1.18 0.00 0.00 95 K 8.37 4.23 0.00 1.92 1.82 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.62 7.81 96 L 8.20 4.00 0.00 1.84 1.40 0.95 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 97 L 6.97 4.29 0.00 1.63 1.65 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.33 4.15 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 * Residues marked with a * may have inaccurate shift predictions.