NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2659 8.3001 120.3409 53.8839 34.6593 175.0211 2 A 3.7931 8.2955 120.8599 52.5174 16.0961 175.1728 3 T 4.1610 8.7630 120.1973 64.7538 70.6524 172.5495 4 S 4.7641 8.4347 111.1433 59.1853 65.3751 176.6409 5 G 3.9995 5.8307 112.7924 46.7050 0.0000 173.4889 6 F 5.4063 8.9097 124.7315 56.0093 42.2271 173.9681 7 K 5.0864 7.9533 126.6479 54.8637 35.1761 174.0882 8 H 4.9590 9.2318 125.7389 54.2842 33.3501 171.7538 9 L 5.5810 8.4533 125.7667 52.1209 46.2855 175.1204 10 V 4.9824 8.4530 123.2599 59.9089 34.9436 174.1303 11 V 4.7770 9.2963 124.6065 61.2813 34.1212 174.7478 12 V 5.4401 8.8297 119.2857 58.9106 36.7882 173.8918 13 K 5.0151 8.5794 121.5779 54.7279 35.8344 174.5349 14 F 5.3700 8.6296 119.6230 55.1238 39.7088 175.3928 15 K 4.3437 8.7055 117.0265 56.8066 34.3548 177.3613 16 E 4.1983 8.8753 118.2937 58.0224 30.4422 175.5778 17 D 5.1913 8.0317 129.0200 54.1328 41.6429 176.2330 18 T 3.7534 7.4158 116.7263 63.8248 68.8997 175.7848 19 K 4.2065 8.2789 127.7206 56.2302 31.4081 177.4831 20 V 3.6688 7.8916 121.7135 65.0085 31.6458 177.5819 21 D 4.3491 7.9870 118.2258 57.4370 40.5855 178.3029 22 E 4.0151 8.0967 118.0561 59.2091 29.8856 178.4288 23 I 4.0313 7.9583 120.2339 64.0948 37.0838 177.7935 24 L 4.0681 8.5216 121.6784 58.4237 41.7927 179.2722 25 K 4.0649 7.9955 118.3415 59.1789 31.6714 179.5591 26 G 3.4812 8.4277 106.4142 47.7873 0.0000 175.3854 27 L 3.7916 7.9447 121.8537 57.5768 41.4169 179.2721 28 E 4.0220 8.0800 116.8507 59.5598 29.6332 178.9179 29 N 4.3587 7.9705 116.6822 56.5218 39.0047 176.3257 30 L 3.8198 9.1003 121.7607 58.5262 41.8143 179.0499 31 V 3.3315 8.7576 118.4546 65.8842 30.9352 177.5817 32 S 4.0526 8.4388 113.3463 61.7962 62.5623 176.1251 33 Q 4.1143 8.3667 119.6870 57.7774 28.2353 177.2652 34 I 4.0684 9.2493 121.4545 61.5427 37.5126 177.6051 35 D 4.3215 7.7153 122.5298 56.4168 39.5080 177.0117 36 T 4.0133 7.9368 112.4316 62.1769 67.4514 174.4840 37 V 3.5616 7.5031 111.6777 62.5132 30.0967 173.7469 38 K 4.7806 7.7303 118.9346 55.4131 32.4495 175.8507 39 S 4.6966 7.0155 112.6312 57.7897 67.2565 174.5682 40 F 4.5335 8.2616 119.5495 56.4024 43.7835 173.6319 41 E 4.8567 7.2869 118.0767 55.3857 33.0349 174.5165 42 W 5.2904 8.8808 122.8952 54.9706 34.0091 174.0712 43 G 4.2638 8.8022 106.2894 45.1287 0.0000 172.0027 44 E 4.9457 7.8984 119.7817 54.6434 34.3784 173.9876 45 D 5.3520 8.4470 122.3012 51.3078 42.2768 177.2971 46 K 4.3079 8.7013 121.0508 56.0799 29.3519 177.3970 47 E 4.5834 7.7544 130.0521 55.5115 30.1214 174.9903 48 S 4.4419 7.2906 120.0292 57.5531 62.9748 173.3547 49 H 4.9602 8.5657 114.6315 53.5554 31.7063 174.4716 50 D 4.7183 8.8602 124.6038 58.3207 40.7995 179.1935 51 M 4.1982 8.0713 116.6488 57.8477 32.1314 177.1863 52 L 4.4980 7.7026 117.4906 55.5992 42.6848 177.9016 53 R 4.1831 9.2131 117.4362 56.0462 29.5199 177.2928 54 Q 3.4224 8.9315 117.4662 56.2701 29.0395 174.9434 55 G 4.2362 8.6788 104.6681 46.5740 0.0000 176.2246 56 F 4.4772 7.4857 115.5077 56.8830 38.4967 175.1730 57 T 4.7364 9.0243 122.0393 64.4164 74.8561 171.3572 58 H 5.4476 8.2241 117.1906 56.5132 33.2513 172.4348 59 A 5.6115 7.2301 123.2513 49.8803 23.5123 174.5988 60 F 4.9087 8.7438 116.3498 56.0408 43.0523 174.7556 61 S 4.8722 8.7748 119.6437 57.6265 64.0207 172.9521 62 M 5.2438 8.7632 125.8447 53.1618 33.7633 175.5868 63 T 5.0862 8.1633 119.9489 61.6880 72.3160 173.1885 64 F 5.3400 9.0775 122.7504 55.5847 42.4259 176.0591 65 E 4.1791 8.9074 120.5173 59.4054 30.3068 175.6704 66 N 4.4830 7.8729 115.3909 51.9682 42.2454 174.2955 67 K 3.8701 8.2951 117.4001 59.3294 31.7926 178.8397 68 D 4.4985 8.2409 119.4776 56.5626 39.0576 178.9030 69 G 3.7528 8.0904 106.7804 47.5219 0.0000 175.1268 70 Y 3.0494 7.4899 121.2988 60.4243 38.6459 178.5423 71 V 3.6722 7.7243 111.6226 63.9900 31.8471 178.1922 72 A 4.0625 7.8845 120.9922 55.0750 18.0879 179.0686 73 F 4.0822 8.2289 118.3607 61.9187 39.6522 177.0309 74 T 3.7540 7.3084 110.6851 64.0530 66.9579 176.3955 75 S 4.3319 7.6822 113.1502 58.6560 62.4896 173.3423 76 H 4.8712 7.5790 119.5270 52.9175 31.4456 172.7507 77 P 4.2033 0.0000 0.0000 64.2776 31.0143 178.0985 78 L 4.5571 7.6742 122.0104 57.7082 42.0139 177.7315 79 H 4.4483 7.5734 118.1176 58.6964 29.7193 177.2105 80 V 3.4739 7.5279 119.9770 65.8453 31.0409 177.5062 81 E 3.9712 7.9095 116.5484 59.5898 29.2503 178.9667 82 F 4.2140 8.0433 120.7113 61.0402 39.3641 177.1160 83 S 4.0571 8.8902 113.1647 61.1366 62.1201 175.9053 84 A 3.9953 8.1118 123.2719 55.2831 18.1498 179.5668 85 A 3.8714 7.6242 118.5357 55.1232 18.2187 179.2945 86 F 3.5896 8.1549 118.9145 61.7019 39.1975 177.2540 87 T 4.1370 7.7602 109.2187 64.2602 68.8419 176.6771 88 A 4.0049 7.5347 124.4413 53.7693 18.3610 178.9347 89 V 4.2019 7.6949 115.5437 60.7342 32.0394 175.4717 90 I 4.6576 8.6611 118.7664 60.0742 40.7408 174.3483 91 D 4.8839 8.9010 121.6551 55.2876 42.5060 176.7236 92 K 4.7730 7.7980 115.6715 55.1562 36.3891 175.0485 93 I 4.8077 8.4865 121.9415 59.3614 40.5672 174.4725 94 V 4.6651 8.8532 128.6228 61.1680 34.6983 174.1462 95 L 5.7984 8.4917 125.9084 52.1839 45.8564 175.5121 96 L 4.6373 8.3539 122.3008 52.8122 44.8006 174.7559 97 D 4.7126 8.3519 122.8620 51.0054 43.9770 174.4832 98 F 5.0414 7.2018 119.1529 54.8098 41.8275 171.4413 99 P 4.8769 0.0000 0.0000 63.0083 32.1227 175.4584 100 V 4.3275 9.3928 124.5474 61.1397 34.0998 174.2785 101 A 4.6164 8.5182 129.7126 49.5747 19.7576 174.6478 102 A 4.5564 8.2851 125.8145 53.1258 16.7208 177.0234 103 V 4.5351 7.6113 111.6277 61.1547 37.5083 177.6394 104 K 3.9273 7.5694 117.9789 59.5030 32.3359 177.2311 105 S 4.3275 7.5732 113.8787 58.4588 60.4845 172.9417 106 S 4.5939 7.7977 118.5063 57.3979 63.3456 173.6898 107 V 4.3156 8.2338 128.8222 61.5320 31.8777 176.1671 108 V 4.4695 7.4505 118.5993 60.7262 34.2071 174.4941 109 A 4.6532 8.2927 124.3736 50.3472 21.8770 176.1584 110 T 3.9319 8.4502 115.2773 61.5946 69.8038 173.4858 *111 P 4.2016 0.0000 0.0000 62.4810 31.4862 177.2113 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 M 8.30 4.27 0.00 2.06 2.27 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 2 A 8.30 3.79 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 3 T 8.76 4.16 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 1.27 0.00 0.00 4 S 8.43 4.76 0.00 4.01 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 5.83 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.91 5.41 0.00 3.19 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 7 K 7.95 5.09 0.00 1.93 1.68 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.40 7.81 8 H 9.23 4.96 0.00 3.53 3.23 0.00 5.77 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 9 L 8.45 5.58 0.00 1.71 1.37 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.45 4.98 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 1.12 0.00 0.00 1.22 0.00 0.00 11 V 9.30 4.78 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 0.16 0.00 0.00 0.81 0.00 0.00 12 V 8.83 5.44 2.33 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 1.27 0.00 0.00 1.24 0.00 0.00 13 K 8.58 5.02 0.00 1.47 1.38 0.00 1.54 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.09 1.12 7.81 14 F 8.63 5.37 0.00 3.16 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 15 K 8.71 4.34 0.00 1.76 2.03 0.00 1.53 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.28 1.41 7.81 16 E 8.88 4.20 0.00 2.02 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 2.29 2.30 0.00 17 D 8.03 5.19 0.00 2.76 2.72 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 18 T 7.42 3.75 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 1.15 0.00 0.00 19 K 8.28 4.21 0.00 1.93 1.95 0.00 1.51 0.00 0.00 2.01 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.47 7.81 20 V 7.89 3.67 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 0.82 0.00 0.00 0.90 0.00 0.00 21 D 7.99 4.35 0.00 2.69 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 22 E 8.10 4.02 0.00 1.97 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 2.32 2.36 0.00 23 I 7.96 4.03 2.15 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.69 1.24 0.00 0.00 24 L 8.52 4.07 0.00 1.92 1.93 1.05 1.00 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 25 K 8.00 4.06 0.00 2.07 1.87 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.17 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.53 7.81 26 G 8.43 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 27 L 7.94 3.79 0.00 1.87 1.77 0.84 0.80 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 28 E 8.08 4.02 0.00 2.11 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 2.58 0.00 29 N 7.97 4.36 0.00 2.81 2.86 0.00 0.00 6.78 6.69 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 30 L 9.10 3.82 0.00 1.42 1.53 0.81 0.79 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 31 V 8.76 3.33 2.20 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 0.80 0.00 0.00 0.82 0.00 0.00 32 S 8.44 4.05 0.00 3.82 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 33 Q 8.37 4.11 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 5.72 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 34 I 9.25 4.07 1.74 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.64 0.62 0.00 0.00 35 D 7.72 4.32 0.00 2.79 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 36 T 7.94 4.01 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 1.24 0.00 0.00 37 V 7.50 3.56 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 0.68 0.00 0.00 0.92 0.00 0.00 38 K 7.73 4.78 0.00 1.70 1.81 0.00 1.73 0.00 0.00 1.90 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.57 7.81 39 S 7.02 4.70 0.00 3.53 3.49 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 0.00 0.00 0.00 0.00 40 F 8.26 4.53 0.00 2.93 2.67 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 41 E 7.29 4.86 0.00 1.44 1.59 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 1.81 1.88 0.00 42 W 8.88 5.29 0.00 3.31 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 43 G 8.80 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 0.00 0.00 0.00 0.00 44 E 7.90 4.95 0.00 1.65 1.69 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 2.18 2.16 0.00 45 D 8.45 5.35 0.00 2.64 2.65 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 0.00 0.00 0.00 0.00 46 K 8.70 4.31 0.00 1.71 1.87 0.00 1.72 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.82 1.50 7.81 47 E 7.75 4.58 0.00 1.93 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 2.55 2.21 0.00 48 S 7.29 4.44 0.00 3.75 3.44 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 49 H 8.57 4.96 0.00 3.27 3.20 0.00 5.91 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.86 4.72 0.00 2.67 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 51 M 8.07 4.20 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.64 0.00 52 L 7.70 4.50 0.00 1.77 1.70 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 53 R 9.21 4.18 0.00 1.95 2.02 0.00 3.39 0.00 0.00 3.28 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 54 Q 8.93 3.42 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 5.60 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 55 G 8.68 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 0.00 0.00 0.00 0.00 56 F 7.49 4.48 0.00 3.04 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 57 T 9.02 4.74 4.53 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 0.00 0.00 1.52 0.00 0.00 58 H 8.22 5.45 0.00 3.25 3.09 0.00 5.91 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 59 A 7.23 5.61 1.18 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 0.00 0.00 60 F 8.74 4.91 0.00 3.07 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 61 S 8.77 4.87 0.00 4.06 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 62 M 8.76 5.24 0.00 1.53 1.92 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.18 0.00 63 T 8.16 5.09 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 1.32 0.00 0.00 64 F 9.08 5.34 0.00 3.29 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 65 E 8.91 4.18 0.00 2.26 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 0.00 2.44 2.41 0.00 66 N 7.87 4.48 0.00 2.85 2.84 0.00 0.00 7.27 6.03 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 67 K 8.30 3.87 0.00 1.76 1.71 0.00 1.51 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.16 1.35 7.81 68 D 8.24 4.50 0.00 2.88 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 69 G 8.09 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 0.00 0.00 0.00 70 Y 7.49 3.05 0.00 2.49 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 71 V 7.72 3.67 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 0.99 0.00 0.00 72 A 7.88 4.06 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.23 4.08 0.00 3.01 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 74 T 7.31 3.75 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 0.84 0.00 0.00 75 S 7.68 4.33 0.00 4.03 3.85 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 76 H 7.58 4.87 0.00 3.06 3.10 0.00 5.81 0.00 0.00 0.00 0.00 6.58 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 4.20 0.00 2.23 2.24 0.00 3.65 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 78 L 7.67 4.56 0.00 1.77 1.67 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 79 H 7.57 4.45 0.00 1.78 2.68 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.53 3.47 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 1.07 0.00 0.00 0.80 0.00 0.00 81 E 7.91 3.97 0.00 2.29 2.22 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 2.61 2.44 0.00 82 F 8.04 4.21 0.00 3.32 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.89 4.06 0.00 3.85 3.85 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 84 A 8.11 4.00 1.36 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 0.00 0.00 0.00 85 A 7.62 3.87 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 86 F 8.15 3.59 0.00 2.68 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 87 T 7.76 4.14 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 1.35 0.00 0.00 88 A 7.53 4.00 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 89 V 7.69 4.20 1.96 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 0.51 0.00 0.00 0.86 0.00 0.00 90 I 8.66 4.66 1.98 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 0.85 0.54 1.04 0.00 0.00 91 D 8.90 4.88 0.00 2.58 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 92 K 7.80 4.77 0.00 1.81 1.76 0.00 1.17 0.00 0.00 1.00 0.00 0.00 2.86 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.40 1.50 7.81 93 I 8.49 4.81 2.03 0.00 0.00 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 1.39 1.01 1.01 0.00 0.00 94 V 8.85 4.67 2.32 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 1.09 0.00 0.00 1.24 0.00 0.00 95 L 8.49 5.80 0.00 1.49 1.46 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.35 4.64 0.00 1.52 1.63 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.35 4.71 0.00 2.54 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 0.00 0.00 0.00 0.00 98 F 7.20 5.04 0.00 3.01 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 99 P 0.00 4.88 0.00 2.23 2.43 0.00 3.93 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 2.09 2.09 0.00 100 V 9.39 4.33 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 0.90 0.00 0.00 1.06 0.00 0.00 101 A 8.52 4.62 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 0.00 102 A 8.29 4.56 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 0.00 103 V 7.61 4.54 2.08 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 1.01 0.00 0.00 1.01 0.00 0.00 104 K 7.57 3.93 0.00 1.78 1.89 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.54 7.81 105 S 7.57 4.33 0.00 4.00 3.91 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 S 7.80 4.59 0.00 3.84 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 0.00 107 V 8.23 4.32 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 0.80 0.00 0.00 0.92 0.00 0.00 108 V 7.45 4.47 2.08 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 0.81 0.00 0.00 0.93 0.00 0.00 109 A 8.29 4.65 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 0.00 110 T 8.45 3.93 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 *111 P 0.00 4.20 0.00 1.86 1.90 0.00 3.65 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 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.