NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Q 4.2225 8.3444 121.7041 55.6493 29.3739 174.4842 7 K 3.8674 8.7055 128.0096 57.9341 32.5164 175.5626 8 I 4.4126 8.3564 120.0839 59.5376 40.0560 174.2502 9 T 4.3628 8.2347 121.8337 61.5441 70.7334 174.0983 10 T 4.0775 8.0506 123.6753 63.4058 69.1425 173.5621 11 F 4.8544 8.8176 127.5576 56.8672 42.1724 173.6430 12 L 5.0521 8.3282 127.2729 53.2589 45.4823 174.9955 *14 F 4.7894 8.3272 117.1591 57.7017 40.9838 174.9523 15 E 4.8509 9.0811 116.7833 55.7392 29.8621 175.9398 16 G 3.5626 7.9588 108.7545 45.4723 0.0000 174.9418 17 K 4.3183 8.1285 118.9359 55.9289 32.8586 177.5989 18 A 2.7559 8.2587 123.3816 55.0236 18.4473 179.2588 19 E 3.8383 7.9234 114.6086 59.2257 30.2482 177.4212 20 E 3.8437 8.0593 118.9482 59.2616 29.9298 178.8072 21 A 3.1368 7.3385 118.1526 52.6531 17.4870 178.5909 *23 N 4.6181 8.1545 117.8623 54.6863 40.9584 176.6125 24 F 4.4485 8.1674 119.6119 61.6481 39.4690 176.8971 25 Y 4.1421 8.0306 117.0185 61.2336 37.5208 178.4403 26 T 4.2609 7.8615 108.6769 63.8177 69.1439 175.7245 27 S 4.3106 7.6141 115.6123 59.6869 63.4974 174.5893 28 L 3.9631 7.4547 121.5908 55.1362 42.1796 176.5510 29 F 4.9765 7.4409 115.2886 54.9595 42.7939 174.1298 30 D 4.4091 8.6889 122.3768 55.5749 42.3146 175.7546 31 Q 3.8081 8.7383 120.9391 57.5086 26.0982 174.0374 32 S 5.1075 8.1080 110.9037 55.5534 66.6272 173.8675 33 E 4.8910 8.9175 121.9037 54.7969 33.3793 174.3925 34 I 4.2107 8.3672 122.0712 62.0166 37.2803 175.9133 35 V 4.1953 8.9522 128.1744 64.7926 32.2195 176.0951 36 S 4.8215 7.8445 113.4424 57.1448 66.5616 172.4723 37 I 5.0490 8.1711 121.3575 59.9734 40.8494 173.6906 38 S 4.8149 9.0816 124.1787 56.5166 65.8788 173.1810 39 R 5.0086 8.2101 120.0683 54.2456 33.6949 174.8998 40 Y 4.1908 8.8465 121.0676 58.3373 39.0094 176.4917 41 D 4.5557 8.5752 123.8986 52.4141 41.9649 176.2548 42 E 3.9801 8.8744 115.9524 59.1723 29.5916 177.0647 43 N 4.7785 8.7681 116.2596 51.7656 38.0131 176.9156 44 G 4.0453 7.6222 108.0896 45.7483 0.0000 172.6639 45 P 4.0828 0.0000 0.0000 64.9557 31.9374 177.1104 46 G 3.2430 5.8797 107.8440 43.8210 0.0000 172.9948 47 K 4.2549 8.0806 118.6188 55.7360 32.6944 176.6609 48 E 4.3824 8.4773 122.9798 57.6066 30.0782 177.3208 49 G 4.0476 9.2223 115.0578 45.6021 0.0000 173.8200 50 T 4.3123 7.6022 109.8649 61.1497 70.8506 174.0757 51 V 4.1556 9.1489 123.4622 62.9042 31.9472 176.5261 52 I 3.6101 8.4137 130.3434 63.9766 37.0913 176.0992 53 H 5.1865 7.6627 115.5401 54.5704 31.5951 171.7204 54 A 5.2011 8.8764 121.4825 50.9452 22.5971 175.5438 55 T 5.0981 8.9650 117.2355 61.8285 71.9711 173.3725 56 F 5.6355 9.2397 119.9379 55.7566 41.7533 173.1396 57 T 5.2253 9.2606 109.9274 60.0322 71.8452 173.2831 58 L 4.8949 8.9942 123.6404 53.0435 44.5451 176.4244 59 N 4.7346 9.5166 124.9782 53.3546 37.8438 174.8781 60 G 4.0206 8.3604 105.9091 45.1696 0.0000 173.6019 61 Q 4.2648 7.9190 121.7021 54.8130 29.9159 174.6224 62 E 4.5625 8.7475 125.4938 56.3021 30.6476 176.2861 63 F 4.7010 8.6361 122.3810 55.8976 43.0614 173.7202 *65 C 5.2874 8.7835 113.3754 59.3314 31.2771 172.6309 66 I 5.0564 8.1796 111.7299 59.6249 41.0169 174.0753 67 D 5.1490 8.9546 123.3523 52.5134 41.6430 176.9510 68 S 4.2051 9.2190 120.1225 58.8605 62.6791 173.8112 69 Y 4.3555 8.5784 124.3374 57.5434 38.3369 175.2066 70 V 4.2228 6.9883 120.5499 60.8944 33.9346 174.4908 71 N 4.5377 8.4890 124.1865 53.1924 39.1145 174.4361 72 H 4.6283 8.7819 120.9203 54.0218 30.8397 174.3401 73 N 4.6685 8.3323 117.7416 52.7865 37.3890 174.2542 74 F 5.0842 6.7540 112.6443 55.8157 41.4983 173.5513 75 T 4.3014 7.9898 113.1296 61.2833 69.0911 172.7942 76 F 4.4604 8.4989 118.6869 58.1465 39.5192 174.2111 77 T 4.8618 8.1965 112.7488 59.2006 71.7193 172.1583 78 P 4.6306 0.0000 0.0000 63.8015 31.3335 178.2206 79 A 4.1776 7.7597 119.6736 52.6973 17.4377 177.3346 *81 S 4.3611 7.7928 112.7823 59.8474 64.7673 172.9186 82 L 4.3972 8.2947 120.7220 53.3470 43.0378 175.1854 83 Y 4.8167 8.5863 126.3062 56.2004 39.9362 174.5658 84 V 4.4669 8.8682 128.3774 61.2909 33.9254 174.1810 85 T 4.9035 8.5521 118.1569 60.3644 70.4072 173.4832 86 C 4.9914 8.9949 124.3527 58.1317 30.4548 175.0476 87 E 4.1035 9.5232 122.5828 58.5390 29.8330 177.9220 88 T 4.7560 7.4362 107.3681 58.8502 73.2183 174.3221 89 E 3.9345 8.7632 122.0429 59.8279 29.5523 179.2896 90 E 3.8867 8.1657 118.5197 59.2947 29.6211 178.3698 91 E 3.8998 8.1022 119.1165 59.3386 29.6785 178.6339 92 I 3.6934 7.8609 118.6770 64.0585 38.1591 177.5130 93 D 4.3635 8.3403 120.0044 57.7198 40.6921 179.0483 94 T 3.8801 7.9712 116.0426 66.6669 68.4535 177.1603 95 V 3.3300 7.9440 120.3751 65.6555 31.4300 177.6361 96 F 3.9039 8.3901 120.6655 61.7154 39.0183 176.5519 97 H 4.2039 8.0183 115.7719 59.1749 29.8178 177.1001 98 K 4.0849 7.9647 120.1715 59.5979 31.7670 179.4882 99 L 4.1385 7.9488 118.9740 57.4990 41.3424 179.2460 100 A 3.9833 8.0544 120.6714 53.0851 18.0289 177.2412 101 Q 4.0088 7.2229 117.1250 57.1448 28.9049 175.7320 102 D 4.3470 8.7878 121.7236 55.1356 38.7726 173.8548 103 G 4.2499 7.8744 109.7811 43.9479 0.0000 172.7205 104 A 4.7201 8.4990 120.2647 50.1909 22.1963 175.8469 105 I 4.5056 8.5271 123.6232 60.7382 38.0162 175.9239 106 L 4.4427 8.9567 126.5091 54.6286 42.1816 174.9411 *108 P 4.3416 0.0000 0.0000 61.9562 32.3168 175.9047 109 L 3.8903 8.2080 122.0362 55.0172 42.5089 176.7408 110 G 3.8304 8.0701 113.7391 46.2762 0.0000 171.4059 111 S 4.9911 8.2128 115.1257 57.2744 64.1157 173.0298 112 Y 4.6418 8.6108 120.9535 55.2670 41.8263 174.6909 113 P 4.2465 0.0000 0.0000 65.7653 31.3975 177.9196 114 F 4.5527 7.6121 110.0122 57.7037 38.6666 175.1400 115 S 4.5988 7.4439 114.9737 57.0760 65.6676 175.7955 116 K 4.0345 8.6389 126.4614 59.5888 32.9607 176.6145 117 K 4.7589 8.0301 121.7327 55.4624 35.4202 174.5895 118 F 5.3824 9.6471 129.8603 57.2280 43.3958 173.1053 119 G 4.2947 7.8837 110.4736 44.8911 0.0000 171.3947 120 W 5.9461 8.7724 129.5809 55.7166 34.3325 173.6114 121 L 5.3461 9.8213 126.4157 54.7926 44.3831 174.0625 122 N 5.6919 9.2193 117.3576 51.6053 41.0301 175.5946 123 D 5.4134 9.7774 123.4384 51.4703 41.0115 177.1412 124 K 4.1861 8.2986 116.9023 59.0366 32.2658 177.2014 125 Y 4.5144 8.1780 115.8021 58.2764 38.2662 176.4229 126 G 4.1709 8.6932 109.1626 44.9152 0.0000 173.9342 127 V 3.3712 7.8982 120.5477 62.4255 32.3106 174.2074 128 S 5.3090 8.4540 121.9489 57.2366 64.0132 172.4757 129 W 5.3798 9.7539 126.9053 55.0120 32.6858 174.2707 130 Q 4.8449 9.1661 122.9927 53.9587 31.6018 174.6075 131 L 5.0808 8.4336 122.4770 53.2780 45.7019 175.5464 132 T 5.1925 8.7537 116.7953 60.4746 71.6878 171.8090 133 L 4.9629 8.3512 127.7777 53.5647 43.2927 176.2016 134 A 4.3581 8.6623 127.4744 52.2342 18.2008 176.9332 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 6 Q 8.34 4.22 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.03 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 7 K 8.71 3.87 0.00 1.81 1.78 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.50 7.81 8 I 8.36 4.41 1.81 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 0.75 0.86 0.00 0.00 9 T 8.23 4.36 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 1.13 0.00 0.00 10 T 8.05 4.08 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 1.36 0.00 0.00 11 F 8.82 4.85 0.00 3.00 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 12 L 8.33 5.05 0.00 1.97 1.58 1.13 1.23 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 *14 F 8.33 4.79 0.00 3.33 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 15 E 9.08 4.85 0.00 1.96 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 2.19 2.26 0.00 16 G 7.96 3.56 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 0.00 0.00 0.00 17 K 8.13 4.32 0.00 1.78 1.70 0.00 1.95 0.00 0.00 1.90 0.00 0.00 3.18 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.57 7.81 18 A 8.26 2.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.92 3.84 0.00 1.84 1.87 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 2.18 2.18 0.00 20 E 8.06 3.84 0.00 1.93 1.89 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 2.37 2.27 0.00 21 A 7.34 3.14 -0.12 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 0.00 0.00 *23 N 8.15 4.62 0.00 2.84 2.88 0.00 0.00 7.03 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 F 8.17 4.45 0.00 2.98 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 25 Y 8.03 4.14 0.00 2.97 3.07 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 0.00 0.00 0.00 26 T 7.86 4.26 4.50 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 1.42 0.00 0.00 27 S 7.61 4.31 0.00 4.04 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 28 L 7.45 3.96 0.00 0.56 0.50 -0.03 0.14 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 29 F 7.44 4.98 0.00 3.02 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 30 D 8.69 4.41 0.00 2.81 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 31 Q 8.74 3.81 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.63 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 32 S 8.11 5.11 0.00 4.20 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 33 E 8.92 4.89 0.00 2.07 2.04 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 2.27 2.37 0.00 34 I 8.37 4.21 1.90 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 1.20 0.54 0.95 0.00 0.00 35 V 8.95 4.20 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 0.81 0.00 0.00 1.00 0.00 0.00 36 S 7.84 4.82 0.00 3.93 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 37 I 8.17 5.05 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.64 0.89 0.00 0.00 38 S 9.08 4.81 0.00 3.69 3.75 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 39 R 8.21 5.01 0.00 1.63 1.82 0.00 3.19 0.00 0.00 3.41 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 40 Y 8.85 4.19 0.00 3.11 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 41 D 8.58 4.56 0.00 2.88 2.86 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 42 E 8.87 3.98 0.00 2.10 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 2.29 2.31 0.00 43 N 8.77 4.78 0.00 2.82 2.92 0.00 0.00 6.92 6.97 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 44 G 7.62 4.05 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 0.00 0.00 0.00 45 P 0.00 4.08 0.00 1.36 1.82 0.00 3.81 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.43 0.00 46 G 5.88 3.24 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 0.00 0.00 0.00 47 K 8.08 4.25 0.00 1.84 1.75 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.40 7.81 48 E 8.48 4.38 0.00 1.95 1.87 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 2.32 2.48 0.00 49 G 9.22 4.05 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 0.00 0.00 0.00 50 T 7.60 4.31 4.54 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 1.27 0.00 0.00 51 V 9.15 4.16 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 1.06 0.00 0.00 0.89 0.00 0.00 52 I 8.41 3.61 1.60 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.23 0.80 0.00 0.00 53 H 7.66 5.19 0.00 3.25 3.42 0.00 5.62 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 54 A 8.88 5.20 1.24 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 0.00 0.00 55 T 8.96 5.10 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 1.29 0.00 0.00 56 F 9.24 5.64 0.00 3.34 3.06 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 57 T 9.26 5.23 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 1.26 0.00 0.00 58 L 8.99 4.89 0.00 1.56 1.47 0.50 1.12 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 59 N 9.52 4.73 0.00 2.74 2.79 0.00 0.00 7.32 8.49 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 60 G 8.36 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 61 Q 7.92 4.26 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.96 0.00 0.00 0.00 0.00 0.00 1.77 2.22 0.00 62 E 8.75 4.56 0.00 1.96 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 2.31 2.23 0.00 63 F 8.64 4.70 0.00 1.51 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.78 5.29 0.00 3.55 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 66 I 8.18 5.06 2.17 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.95 1.11 0.00 0.00 67 D 8.95 5.15 0.00 2.96 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 68 S 9.22 4.21 0.00 3.85 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 69 Y 8.58 4.36 0.00 3.04 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 6.99 4.22 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.46 0.00 0.00 71 N 8.49 4.54 0.00 2.65 2.63 0.00 0.00 6.92 8.16 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 72 H 8.78 4.63 0.00 2.30 1.62 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.33 4.67 0.00 2.81 2.89 0.00 0.00 5.83 7.43 0.00 0.00 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 F 6.75 5.08 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 75 T 7.99 4.30 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 1.30 0.00 0.00 76 F 8.50 4.46 0.00 3.27 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 77 T 8.20 4.86 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 1.27 0.00 0.00 78 P 0.00 4.63 0.00 2.07 2.18 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 79 A 7.76 4.18 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 *81 S 7.79 4.36 0.00 4.02 4.14 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 82 L 8.29 4.40 0.00 0.51 1.12 -0.38 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.59 4.82 0.00 2.86 2.80 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 84 V 8.87 4.47 2.14 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 1.09 0.00 0.00 1.26 0.00 0.00 85 T 8.55 4.90 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 1.39 0.00 0.00 86 C 8.99 4.99 0.00 2.89 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 87 E 9.52 4.10 0.00 1.94 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 2.36 2.31 0.00 88 T 7.44 4.76 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 89 E 8.76 3.93 0.00 1.99 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 2.40 2.32 0.00 90 E 8.17 3.89 0.00 2.02 1.95 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 2.37 2.36 0.00 91 E 8.10 3.90 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 2.33 2.33 0.00 92 I 7.86 3.69 1.88 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 1.48 1.43 0.97 0.00 0.00 93 D 8.34 4.36 0.00 2.90 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 94 T 7.97 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 1.16 0.00 0.00 95 V 7.94 3.33 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 0.63 0.00 0.00 0.79 0.00 0.00 96 F 8.39 3.90 0.00 3.23 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 97 H 8.02 4.20 0.00 3.30 3.59 0.00 6.01 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.96 4.08 0.00 1.86 1.86 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.59 7.81 99 L 7.95 4.14 0.00 1.46 1.42 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.05 3.98 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 0.00 0.00 0.00 0.00 0.00 101 Q 7.22 4.01 0.00 1.86 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 102 D 8.79 4.35 0.00 2.68 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 0.00 103 G 7.87 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 0.00 0.00 0.00 104 A 8.50 4.72 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 0.00 105 I 8.53 4.51 1.96 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 1.40 1.00 1.13 0.00 0.00 106 L 8.96 4.44 0.00 1.50 1.37 0.42 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 *108 P 0.00 4.34 0.00 2.27 2.22 0.00 4.05 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 2.04 2.07 0.00 109 L 8.21 3.89 0.00 0.27 1.00 0.60 0.78 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 0.00 110 G 8.07 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 0.00 111 S 8.21 4.99 0.00 3.72 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 0.00 112 Y 8.61 4.64 0.00 1.88 1.68 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 0.00 113 P 0.00 4.25 0.00 2.18 2.18 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 114 F 7.61 4.55 0.00 3.06 3.11 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 0.00 0.00 0.00 115 S 7.44 4.60 0.00 3.91 3.58 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 0.00 116 K 8.64 4.03 0.00 1.97 2.06 0.00 1.58 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.44 7.81 117 K 8.03 4.76 0.00 1.82 1.68 0.00 1.46 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.39 7.81 118 F 9.65 5.38 0.00 3.20 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 0.00 119 G 7.88 4.29 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 0.00 120 W 8.77 5.95 0.00 3.40 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 0.00 121 L 9.82 5.35 0.00 1.88 1.69 0.98 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 122 N 9.22 5.69 0.00 2.74 2.87 0.00 0.00 7.20 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 0.00 123 D 9.78 5.41 0.00 3.12 3.13 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 0.00 124 K 8.30 4.19 0.00 1.54 1.90 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.53 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.59 0.21 7.81 125 Y 8.18 4.51 0.00 3.49 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 0.00 126 G 8.69 4.17 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 0.00 0.00 0.00 127 V 7.90 3.37 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 0.21 0.00 0.00 -0.03 0.00 0.00 128 S 8.45 5.31 0.00 4.12 3.88 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 0.00 129 W 9.75 5.38 0.00 3.21 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 9.17 4.84 0.00 1.70 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 1.16 1.20 0.00 131 L 8.43 5.08 0.00 1.57 1.49 1.06 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 132 T 8.75 5.19 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 1.22 0.00 0.00 133 L 8.35 4.96 0.00 1.73 1.58 0.97 1.04 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 0.00 134 A 8.66 4.36 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 * Residues marked with a * may have inaccurate shift predictions.