NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 L 3.9976 8.1849 122.3901 55.0214 42.2490 175.4806 -3 Y 4.8201 7.9242 123.8311 54.4601 40.0163 174.7938 -2 F 5.1720 9.0042 117.7006 56.5175 41.3024 174.0750 -1 Q 4.1706 8.7037 121.4676 57.5337 28.9694 178.0537 0 G 3.7586 8.8875 105.6066 46.0280 0.0000 171.0496 -2 P 4.9720 0.0000 0.0000 62.1175 33.8024 175.5750 -1 H 4.5606 8.8037 119.8676 56.8337 28.5694 176.1537 0 L 4.1386 8.7175 118.6066 56.0280 39.3490 173.7496 5 V 4.7724 8.7463 126.2984 61.2235 34.2266 173.9447 6 I 4.8082 8.7629 129.2851 59.5737 39.6121 174.4381 7 E 4.8931 9.4234 126.1637 54.2871 32.8063 174.8689 8 A 4.9815 8.1675 125.4117 49.8083 22.5272 175.6005 9 T 3.5391 7.9361 112.4590 61.0732 69.3527 175.8021 10 A 3.9904 8.1104 126.9591 54.8225 18.5455 178.3368 11 N 4.6421 7.1875 111.6128 53.1803 37.9965 175.1171 12 L 4.1599 7.5849 122.6417 55.2332 42.9992 175.9847 13 R 4.6477 9.2628 125.3969 54.6491 32.1229 175.4788 14 L 5.0986 8.3533 123.3757 53.1608 43.4908 176.7236 15 E 4.2431 9.1961 121.5384 59.1156 30.0810 176.5932 16 T 4.6034 7.4277 107.3503 59.1074 72.0808 173.6070 17 S 4.3847 8.1850 115.7936 57.2823 65.3651 172.8921 18 P 3.5405 0.0000 0.0000 65.3336 30.8298 179.0423 19 G 3.5720 7.7997 103.8858 48.0160 0.0000 175.2265 20 E 4.1451 8.1341 122.1197 58.3850 29.5191 178.5650 21 L 3.9393 8.0328 120.8985 58.0242 42.0742 178.8073 22 L 4.0154 8.0967 119.0996 57.9356 41.5175 179.3840 23 E 3.9680 8.2049 118.3819 59.6096 29.4083 179.5183 24 Q 3.9985 8.3248 117.8743 58.7364 28.7255 178.6664 25 A 4.0206 8.2633 121.9659 55.2847 18.4232 179.4451 26 N 4.2950 8.5641 115.1870 56.3452 38.5395 177.4020 27 A 4.1040 8.2797 122.0225 55.1877 18.2575 179.4560 28 A 3.9848 7.9533 117.9035 55.4040 18.9101 179.5580 29 L 4.2852 8.1807 117.4686 58.1039 41.8396 179.6081 30 F 4.4973 8.8962 120.8112 61.2539 39.1169 176.9050 31 A 4.0162 8.2758 119.7662 54.4075 18.1814 179.3141 32 S 4.1601 7.7013 112.0350 59.4128 62.9831 175.6740 33 G 3.6730 7.4037 108.8194 45.9606 0.0000 174.0677 34 Q 4.0108 7.4067 117.8104 55.7973 29.3131 175.8501 35 F 5.4251 7.3637 115.4796 55.1152 43.0609 174.8689 36 G 4.1295 8.9515 112.0051 44.8421 0.0000 174.0453 37 E 3.4925 9.3041 123.8631 59.0858 29.5530 178.7735 38 A 4.2105 7.8709 117.8680 53.6753 18.8167 177.6441 39 D 4.5870 7.9442 115.3200 55.6994 41.4401 176.0651 40 I 4.2081 7.1653 119.8022 60.6203 37.5377 175.9390 41 K 4.6266 8.6109 127.3674 54.6347 34.0728 175.7580 42 S 6.0312 8.6722 119.3480 56.7317 66.2108 173.5118 43 R 4.8250 8.3193 115.7592 54.9028 32.9014 173.1760 44 F 5.2454 8.8865 122.7393 56.5490 42.1366 174.4393 45 V 4.5158 8.3145 119.1076 59.8152 34.9296 174.6086 46 T 4.7773 8.5579 121.8366 62.4022 69.9231 174.2300 47 L 4.3737 8.8815 127.7164 54.1137 42.1891 177.6240 48 E 4.2303 9.1065 123.6727 57.0497 30.2453 176.1219 49 A 4.5415 7.9818 120.7630 50.3903 20.3821 174.5066 50 Y 5.0231 7.5063 118.6441 56.6079 40.9589 174.7077 51 R 4.7156 8.4517 118.9451 54.8883 34.2874 174.4458 52 Q 4.4632 8.5012 122.0197 54.9855 31.6543 176.1446 53 G 3.9011 8.8085 115.9172 45.9579 0.0000 172.5090 54 T 4.4652 8.4034 106.5133 61.2694 70.7512 174.4307 55 A 4.1610 7.8706 124.1652 51.8822 19.5796 177.6036 56 A 4.3981 8.1794 124.5332 50.8887 17.2911 177.4246 57 V 4.5003 7.1546 119.6273 60.0156 35.2525 174.2838 58 E 4.3673 9.0816 128.1093 56.2104 30.6604 175.3803 59 R 5.1093 8.6760 124.1104 54.5482 34.4071 174.0969 60 A 4.9409 8.6458 122.5448 50.5215 22.5158 174.4782 61 Y 5.0548 8.0326 116.7505 55.8565 42.6363 173.5997 62 L 5.1586 9.0447 121.0333 53.9889 45.7818 174.1951 63 H 5.6160 9.5941 125.2483 54.4574 33.8498 171.6813 64 A 5.0976 8.6523 125.1338 50.1639 22.9450 174.5335 65 C 4.9840 8.9858 121.1239 57.5600 34.4322 172.4037 66 L 5.1665 8.9236 129.9588 53.8997 43.3864 175.0883 67 S 5.3236 8.7005 122.7813 56.8300 64.8641 173.4211 68 I 4.6167 8.4430 117.9472 58.3477 41.1154 174.9529 69 L 4.3373 8.3315 122.6845 54.3573 42.0712 177.2544 70 D 4.9410 8.0145 121.1588 53.6967 39.9149 176.5146 71 G 3.8739 8.9182 107.8215 46.0586 0.0000 174.9000 72 R 4.1833 7.7548 118.3797 55.5673 31.2160 176.1880 73 D 4.6909 8.2575 119.9067 52.4256 42.0089 177.2084 74 A 3.9743 8.4528 120.8383 55.3923 18.2757 179.7081 75 A 3.9237 7.9201 118.6755 55.4250 18.4910 179.7852 76 T 3.7910 8.4347 114.4432 66.9673 68.5723 177.0638 77 R 3.9530 7.8553 119.5282 59.2522 30.0491 178.9644 78 Q 3.9351 8.4085 119.3745 59.1265 29.0845 178.1479 79 A 4.0028 8.1745 121.8496 55.0517 18.4674 179.5899 80 L 4.0965 8.0819 117.7056 57.8715 41.7133 179.9408 81 G 3.6424 8.0725 105.5962 47.9998 0.0000 175.5870 82 E 4.0001 8.3611 121.4267 59.0187 29.3144 179.4076 83 S 4.1289 8.2501 113.2302 61.4427 62.3861 176.3002 84 L 4.0530 7.9501 121.5998 57.8258 41.2910 179.0047 85 C 4.1051 8.3305 118.8759 62.1987 31.4656 175.1344 86 E 3.9120 8.2830 121.0496 59.2519 29.0018 178.9589 87 V 3.5848 7.3181 116.6024 66.0796 32.0162 177.6872 88 L 4.1526 8.1960 118.5710 57.8042 41.4298 179.3746 89 A 4.1318 8.5000 121.2938 55.1730 18.1213 179.9336 90 G 3.6288 8.0623 102.7178 47.2674 0.0000 175.0676 91 A 4.3647 7.8498 121.8962 52.2711 18.6393 177.0130 92 V 4.0157 7.1170 117.7592 62.3753 32.0785 175.4890 93 A 4.3762 8.9363 131.2933 53.1313 19.4959 176.8840 94 G 3.9300 7.3360 102.3647 45.4843 0.0000 171.3823 95 G 4.5129 9.3790 114.1872 46.0160 0.0000 174.5691 96 G 3.9214 8.1997 111.3566 45.1332 0.0000 173.7657 97 E 4.6439 8.8138 121.0727 55.8059 30.0511 175.2966 98 E 4.5224 7.6269 116.2242 55.6589 31.7890 174.7104 99 G 3.7552 8.6123 107.1059 46.3639 0.0000 172.6334 100 V 4.5023 8.0000 119.8829 60.9013 33.2385 175.2884 101 Q 4.2893 8.7712 127.5371 55.8136 29.9155 175.0770 102 V 5.1916 8.4367 123.5714 61.1852 34.1782 174.5699 103 S 4.8316 9.0072 120.7397 56.9976 67.0903 173.1236 104 V 4.7177 8.1566 120.1358 61.5825 34.0951 173.6903 105 E 4.5650 9.0688 129.5187 54.9286 31.6315 174.6699 106 V 4.9107 8.3861 125.9856 61.1754 33.5231 174.5664 107 R 4.7505 9.1512 124.2483 54.7329 33.2125 174.6109 108 E 5.8278 8.0938 117.7970 53.6635 32.5160 174.3271 *110 E 4.5307 8.7328 119.7782 56.6390 29.9099 177.4071 111 R 3.9309 9.2337 124.5490 58.8602 29.9007 178.9746 112 A 4.0553 8.1309 120.8932 54.2194 18.4355 177.8163 113 S 4.6040 7.5921 107.9775 58.0718 63.8933 173.6187 114 Y 4.1808 7.8087 123.4524 57.5034 38.6685 174.2820 115 A 4.7120 7.9449 130.3714 50.2688 21.2171 175.6457 116 K 4.6050 8.0281 119.1343 55.9043 35.3854 175.4505 117 R 4.8456 8.4101 118.4559 55.0722 34.1755 174.3924 118 V 4.0640 8.2035 119.5721 60.9758 33.1596 175.1252 119 V 4.0197 8.1648 126.9847 60.8690 31.8361 175.2897 120 A 4.0657 8.3367 130.5480 51.9230 18.9830 176.9165 121 R 4.0368 8.3901 119.5700 56.6552 30.1322 176.4700 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 -4 L 8.18 4.00 0.00 1.46 1.57 0.86 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 7.92 4.82 0.00 3.20 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 -2 F 9.00 5.17 0.00 3.32 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 -1 Q 8.70 4.17 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.16 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 0 G 8.89 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 P 0.00 4.97 0.00 2.47 1.82 0.00 2.20 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 -1 H 8.80 4.56 0.00 3.43 3.43 0.00 7.30 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 L 8.72 4.14 0.00 1.56 1.66 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.75 4.77 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 0.99 0.00 0.00 0.94 0.00 0.00 6 I 8.76 4.81 1.92 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 1.25 0.51 0.90 0.00 0.00 7 E 9.42 4.89 0.00 1.83 1.73 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 2.13 2.17 0.00 8 A 8.17 4.98 1.11 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 0.00 0.00 9 T 7.94 3.54 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 -0.31 0.00 0.00 10 A 8.11 3.99 1.46 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 0.00 0.00 11 N 7.19 4.64 0.00 2.91 3.06 0.00 0.00 6.92 7.67 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 12 L 7.58 4.16 0.00 1.56 1.65 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 13 R 9.26 4.65 0.00 1.84 1.81 0.00 3.16 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 14 L 8.35 5.10 0.00 1.65 1.57 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.20 4.24 0.00 1.79 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 2.43 2.52 0.00 16 T 7.43 4.60 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 1.21 0.00 0.00 17 S 8.18 4.38 0.00 3.96 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 18 P 0.00 3.54 0.00 1.66 0.49 0.00 3.39 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.58 0.00 19 G 7.80 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 20 E 8.13 4.15 0.00 1.99 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 2.44 2.43 0.00 21 L 8.03 3.94 0.00 1.74 1.75 0.96 0.76 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 22 L 8.10 4.02 0.00 1.89 1.73 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.20 3.97 0.00 2.19 1.99 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 2.32 2.50 0.00 24 Q 8.32 4.00 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.73 0.00 25 A 8.26 4.02 1.39 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 0.00 0.00 26 N 8.56 4.30 0.00 2.87 2.89 0.00 0.00 6.95 7.72 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 27 A 8.28 4.10 1.46 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 0.00 0.00 28 A 7.95 3.98 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 29 L 8.18 4.29 0.00 1.97 1.89 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.90 4.50 0.00 3.19 3.27 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 31 A 8.28 4.02 1.39 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 0.00 0.00 32 S 7.70 4.16 0.00 3.99 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 33 G 7.40 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 34 Q 7.41 4.01 0.00 0.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.59 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 35 F 7.36 5.43 0.00 3.15 2.93 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 36 G 8.95 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 0.00 0.00 0.00 37 E 9.30 3.49 0.00 1.57 1.83 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 1.72 1.70 0.00 38 A 7.87 4.21 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 39 D 7.94 4.59 0.00 3.06 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 40 I 7.17 4.21 1.86 0.00 0.00 1.08 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 0.67 0.90 0.00 0.00 41 K 8.61 4.63 0.00 1.52 1.75 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.16 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.51 7.81 42 S 8.67 6.03 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 43 R 8.32 4.83 0.00 1.87 2.05 0.00 3.10 0.00 0.00 3.55 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 44 F 8.89 5.25 0.00 3.04 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 45 V 8.31 4.52 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 0.75 0.00 0.00 0.82 0.00 0.00 46 T 8.56 4.78 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 1.24 0.00 0.00 47 L 8.88 4.37 0.00 1.35 1.64 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.11 4.23 0.00 1.99 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 2.32 2.27 0.00 49 A 7.98 4.54 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 50 Y 7.51 5.02 0.00 3.07 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 51 R 8.45 4.72 0.00 1.81 1.85 0.00 3.29 0.00 0.00 3.08 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 52 Q 8.50 4.46 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.96 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 53 G 8.81 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 0.00 0.00 0.00 54 T 8.40 4.47 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 55 A 7.87 4.16 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 56 A 8.18 4.40 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 57 V 7.15 4.50 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 0.92 0.00 0.00 0.95 0.00 0.00 58 E 9.08 4.37 0.00 2.13 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 2.45 2.39 0.00 59 R 8.68 5.11 0.00 1.79 1.98 0.00 3.27 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 60 A 8.65 4.94 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 61 Y 8.03 5.05 0.00 3.11 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 62 L 9.04 5.16 0.00 1.78 1.55 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 63 H 9.59 5.62 0.00 3.28 3.14 0.00 5.77 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 64 A 8.65 5.10 1.15 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 0.00 0.00 65 C 8.99 4.98 0.00 2.97 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 66 L 8.92 5.17 0.00 1.77 1.51 0.81 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.70 5.32 0.00 3.78 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 68 I 8.44 4.62 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.76 0.95 0.00 0.00 69 L 8.33 4.34 0.00 1.50 1.56 0.84 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.01 4.94 0.00 2.81 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 71 G 8.92 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 0.00 0.00 0.00 72 R 7.75 4.18 0.00 1.82 1.86 0.00 3.35 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 73 D 8.26 4.69 0.00 2.93 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 74 A 8.45 3.97 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 75 A 7.92 3.92 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 76 T 8.43 3.79 4.43 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 1.19 0.00 0.00 77 R 7.86 3.95 0.00 2.01 1.99 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 78 Q 8.41 3.94 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 79 A 8.17 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 4.10 0.00 1.93 1.82 1.11 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.07 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.36 4.00 0.00 2.17 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 2.34 2.45 0.00 83 S 8.25 4.13 0.00 3.92 4.04 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 84 L 7.95 4.05 0.00 1.92 1.71 0.93 0.81 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 85 C 8.33 4.11 0.00 3.14 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 86 E 8.28 3.91 0.00 2.15 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 0.00 2.32 2.38 0.00 87 V 7.32 3.58 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 0.92 0.00 0.00 1.03 0.00 0.00 88 L 8.20 4.15 0.00 1.74 1.73 0.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.50 4.13 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 90 G 8.06 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.85 4.36 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 92 V 7.12 4.02 2.21 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 0.81 0.00 0.00 1.00 0.00 0.00 93 A 8.94 4.38 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.34 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 95 G 9.38 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.20 3.92 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 0.00 0.00 0.00 97 E 8.81 4.64 0.00 2.02 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 2.54 2.22 0.00 98 E 7.63 4.52 0.00 2.06 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 2.20 2.33 0.00 99 G 8.61 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.00 4.50 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 0.88 0.00 0.00 0.95 0.00 0.00 101 Q 8.77 4.29 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.63 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 102 V 8.44 5.19 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 0.87 0.00 0.00 0.96 0.00 0.00 103 S 9.01 4.83 0.00 3.95 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 0.00 104 V 8.16 4.72 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 0.77 0.00 0.00 0.95 0.00 0.00 105 E 9.07 4.56 0.00 2.15 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 2.25 2.26 0.00 106 V 8.39 4.91 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 0.92 0.00 0.00 0.99 0.00 0.00 107 R 9.15 4.75 0.00 1.85 2.18 0.00 2.77 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 108 E 8.09 5.83 0.00 2.00 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 2.27 2.20 0.00 *110 E 8.73 4.53 0.00 2.04 1.93 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 2.38 2.28 0.00 111 R 9.23 3.93 0.00 2.02 2.17 0.00 2.82 0.00 0.00 3.43 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 112 A 8.13 4.06 1.38 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 0.00 0.00 0.00 113 S 7.59 4.60 0.00 3.97 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 0.00 114 Y 7.81 4.18 0.00 3.00 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 0.00 115 A 7.94 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.03 4.60 0.00 1.81 1.44 0.00 0.61 0.00 0.00 1.55 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.14 1.15 7.81 117 R 8.41 4.85 0.00 1.80 1.85 0.00 3.17 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 118 V 8.20 4.06 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 0.61 0.00 0.00 -0.03 0.00 0.00 119 V 8.16 4.02 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 0.83 0.00 0.00 0.92 0.00 0.00 120 A 8.34 4.07 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 0.00 121 R 8.39 4.04 0.00 1.75 1.80 0.00 3.25 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.