NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3646 8.3049 120.3095 54.9471 33.4390 175.0056 2 Y 4.3511 8.1666 119.4390 57.8865 38.6432 174.3567 3 K 4.5423 10.2539 122.9772 57.5117 35.8506 175.4821 4 H 5.1082 9.0453 120.6982 55.3884 32.9858 172.2010 5 I 4.6553 9.1899 128.2455 59.7813 39.1917 174.6007 6 L 5.0279 8.7085 128.8740 53.1720 44.7860 174.8871 7 V 4.6647 8.6845 126.3307 61.0897 33.7170 174.0229 8 A 4.9160 8.5686 130.7303 51.1815 19.2929 176.7939 9 V 4.5129 8.5337 116.4851 59.9777 34.1075 176.0687 10 D 4.7504 8.7023 120.4111 52.5491 39.9660 176.3840 11 L 3.6090 7.5058 117.6446 55.9638 39.7283 174.8174 12 S 4.5432 8.1063 116.9789 57.6318 64.5055 175.2430 13 E 4.1137 8.5499 115.3660 58.4342 29.7118 174.4494 14 E 4.3830 7.9870 115.6780 57.8246 30.3808 178.5386 15 S 4.1245 8.0344 116.5354 61.4040 62.8623 174.7418 16 P 4.2928 0.0000 0.0000 65.6108 31.0081 178.7425 17 I 3.7354 7.6498 118.6988 64.1433 37.0137 178.1758 18 L 3.9216 7.8137 120.7644 58.0949 42.0068 178.8466 19 L 3.9643 7.9745 118.9439 57.6806 41.5438 179.5553 20 K 3.9343 8.1284 118.4389 59.3131 31.8037 179.2339 21 K 3.8584 8.0291 119.5944 59.5418 32.0546 178.7797 22 A 3.8959 7.9989 121.0315 54.9215 18.1386 179.7157 23 V 3.1560 8.1905 117.4824 65.9464 31.4751 178.4550 24 G 3.5913 7.9642 105.4176 47.9160 0.0000 175.7826 25 I 3.8046 7.5201 121.9199 63.9287 37.0309 178.2854 26 A 3.9590 8.0926 121.9795 55.1270 18.0213 179.8436 27 K 4.0714 8.1689 117.1072 59.8333 31.9365 179.8485 28 R 4.0003 7.7635 116.8133 58.8059 30.0645 177.8094 29 H 4.6356 8.1765 112.9792 54.2500 30.0765 173.9688 30 D 4.3833 7.6898 119.3310 55.3306 39.9879 172.3252 31 A 4.9097 8.0964 118.7058 50.0145 22.0621 178.3124 32 K 4.3668 8.9215 118.9149 56.4205 33.7739 176.3067 33 L 5.2656 8.5915 123.8198 53.6533 45.2205 175.3589 34 S 5.3346 9.4366 121.7630 56.6578 67.4356 172.8143 35 I 5.1319 8.4907 113.5841 59.5956 41.1588 174.1239 36 I 5.0376 8.6088 122.5109 60.0397 42.0920 172.7645 37 H 5.1029 9.1214 127.6028 54.2927 32.8208 172.1393 38 V 4.5768 8.0270 125.0414 61.3179 33.3529 174.7476 39 D 4.6584 9.8081 129.3592 52.7855 41.4248 175.8576 40 V 4.0743 8.1028 124.4363 63.1094 31.9146 174.4620 41 N 4.5012 8.9398 125.1564 52.1030 43.2277 173.1600 42 F 4.3971 8.1228 120.4544 57.8527 39.5305 175.1922 43 S 4.2228 8.9200 118.1213 59.0549 63.0852 173.1501 *46 Y 4.8715 8.4958 125.2045 57.9586 39.1156 174.6364 47 T 4.1307 8.1111 115.9469 60.4037 69.8745 173.4576 48 G 3.6615 6.3452 107.8880 43.5156 0.0000 173.8360 49 L 4.4156 8.2680 119.5283 54.5832 42.5047 176.8703 50 I 4.3487 8.6440 123.0170 59.5751 39.1448 174.9757 51 D 4.9762 8.4905 125.0839 53.2052 40.6498 176.5176 52 V 3.6640 8.5085 127.2201 65.3259 31.6195 177.1852 53 N 4.3332 8.3210 119.2112 57.5262 38.7210 177.2181 54 M 4.1066 8.3079 120.5931 59.8508 31.7486 179.9363 55 S 4.4691 8.1458 116.4546 61.6102 62.8642 176.8917 56 S 4.1475 8.0819 115.6702 61.4384 61.8628 175.1497 57 M 4.5858 7.5499 118.7812 55.3480 31.9819 177.1893 58 Q 4.3698 7.7750 114.3562 54.9937 33.5863 171.7533 59 D 4.0833 7.9490 123.4301 54.3751 40.5777 173.9031 *63 T 4.2245 8.1409 121.8524 63.5221 71.0591 175.3217 64 E 3.9720 8.5149 123.4391 61.6377 29.9640 180.0130 65 T 4.0125 7.9095 110.5438 64.9517 68.6657 176.1122 66 Q 4.0784 8.1837 122.7117 59.1473 28.7876 179.4667 67 K 4.0419 8.3215 124.8341 59.6099 31.8057 181.5536 68 A 4.2012 8.1256 121.9672 54.8554 18.2546 179.5269 69 L 3.8641 8.0033 118.9275 58.2595 42.1432 179.0184 70 L 3.9866 7.7873 119.8122 58.2498 42.0974 178.7112 71 D 4.3819 8.0367 118.5416 56.9246 40.5045 178.4010 72 L 3.9153 7.6896 119.9179 58.1726 42.2048 178.5442 73 A 4.1305 8.0030 120.6827 55.2483 18.0589 179.2649 74 E 3.9291 7.8840 116.8393 59.1864 29.8389 178.7226 75 S 4.2976 7.8451 112.4685 59.1200 63.4819 174.5646 76 V 3.7984 6.9235 123.5118 62.8429 32.3090 176.2964 77 D 4.7476 8.4841 129.2313 52.5604 39.8970 175.4140 78 Y 4.4602 6.9896 116.4356 55.9559 41.9364 171.2854 79 P 4.3311 0.0000 0.0000 62.6636 31.9372 175.5103 80 I 4.2798 8.1799 124.3714 60.6071 37.7533 175.6003 81 S 4.3660 9.5591 125.4720 59.9356 62.5998 173.8196 82 E 4.6510 8.8937 119.2249 54.5823 32.9023 175.1848 83 K 4.8790 8.4136 120.8739 54.8975 35.2800 175.0199 84 L 5.3286 8.8616 125.2038 52.8877 45.3631 175.8024 85 S 5.3673 8.3156 114.6627 56.0734 66.0948 172.8771 86 G 4.5984 8.3825 109.3812 45.3023 0.0000 171.8338 87 S 5.1534 9.9304 117.2399 56.5829 64.8977 173.2921 88 G 4.0162 8.0157 116.4014 44.9985 0.0000 169.8106 89 D 4.4933 7.9453 120.8890 53.6656 42.4812 177.2785 90 L 3.9021 8.6615 128.9013 58.4921 41.9605 179.4314 91 G 3.5226 8.0022 104.9362 47.7701 0.0000 175.4882 92 Q 3.8922 8.5735 120.9801 58.7971 28.5472 178.8561 93 V 3.2157 7.8205 120.5778 65.5812 31.5241 178.0692 94 L 3.9565 7.7942 118.7780 57.6969 41.4325 179.3215 95 S 4.0437 8.1862 113.2459 61.3743 62.2033 175.7197 96 D 4.3291 8.1881 120.2997 57.4276 41.0003 178.0753 97 A 4.2198 8.0488 121.1990 55.3536 18.3804 179.5801 98 I 3.6758 8.0420 118.4450 64.5220 36.6730 178.6107 99 E 3.9227 8.2814 119.2366 59.6793 29.1900 179.3752 100 Q 3.8480 8.1874 116.7339 58.7331 28.8334 177.2743 101 Y 4.4837 8.2104 112.5023 56.8675 38.4260 175.4285 102 D 4.3892 7.5588 117.6555 55.3127 38.9619 174.3056 103 V 4.0247 7.6921 117.3022 62.7472 32.5212 174.8872 104 D 5.0554 8.8047 123.6488 52.9136 40.7621 175.4414 105 L 4.5171 7.5523 121.9541 53.7054 45.5909 173.7805 106 L 4.9124 8.6420 128.6210 53.3219 44.4875 174.8596 107 V 4.8599 8.6145 126.5421 61.3231 33.9956 174.4192 108 T 4.9880 9.0051 117.1973 59.9199 72.5434 172.7685 109 G 4.6086 8.5725 108.4913 44.8361 0.0000 171.2550 110 H 5.0261 8.7972 114.6376 53.9625 32.5661 173.1698 111 H 4.8103 8.8553 114.6964 55.4175 29.0418 175.4144 112 Q 3.5928 8.0982 115.8909 57.3862 27.0178 173.4738 113 D 4.4620 8.3750 113.2562 53.4626 41.3065 177.5004 114 F 4.4261 6.9138 116.3317 55.4908 41.0562 175.0371 115 W 4.3759 9.1139 134.0605 60.8905 30.4639 177.8300 116 S 4.2129 8.4737 113.4462 61.4857 62.1940 176.3697 117 K 3.8782 8.0396 122.5456 59.0671 32.2225 178.3694 118 L 3.8025 7.8423 120.6279 58.3729 41.9108 178.9623 119 M 3.7088 8.0238 119.1241 58.1333 31.8106 178.9016 120 S 4.0383 8.0259 114.4707 61.7251 63.2730 176.7942 121 S 4.0558 7.9879 119.1020 61.1962 62.4826 176.9339 122 T 3.7900 7.6883 118.2958 66.6066 68.2239 176.9260 123 R 3.8505 7.9820 120.6996 59.2293 29.8504 178.1866 124 Q 3.8894 7.9165 118.5343 59.2575 29.2785 178.3718 125 V 3.6566 7.5548 118.6145 66.0951 31.4843 177.2977 126 M 3.9382 8.3319 118.4478 59.0108 31.8097 177.4006 127 N 4.6935 8.1630 113.1046 54.3491 38.8554 175.4936 128 T 4.4874 7.9609 110.0684 60.9433 69.9281 173.7037 129 I 4.5847 7.5105 117.6376 59.9443 40.2622 175.7418 130 K 4.6315 8.5461 120.2755 53.9845 32.7568 175.8755 131 I 4.8753 7.4372 111.9151 59.4907 41.2621 174.5503 132 D 4.5973 8.6525 121.6225 54.8774 41.9364 175.4531 133 M 5.1275 8.4105 120.9717 53.7689 35.4089 173.7144 134 L 4.5415 8.8731 128.7261 53.4491 44.2245 174.9689 135 V 4.5292 8.3818 127.0063 61.5260 32.8209 174.7659 136 V 4.5131 8.8399 129.1989 60.3242 33.7545 172.8142 137 P 4.5098 0.0000 0.0000 62.4133 32.3768 176.1444 138 L 4.3486 8.4019 122.7407 54.7982 41.5433 176.3040 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 4.36 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 2 Y 8.17 4.35 0.00 2.91 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 3 K 10.25 4.54 0.00 1.83 1.90 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.41 7.81 4 H 9.05 5.11 0.00 3.22 3.27 0.00 5.59 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 9.19 4.66 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.44 0.77 0.00 0.00 6 L 8.71 5.03 0.00 1.61 1.40 0.83 0.94 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 7 V 8.68 4.66 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 0.85 0.00 0.00 0.86 0.00 0.00 8 A 8.57 4.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.53 4.51 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 0.71 0.00 0.00 0.95 0.00 0.00 10 D 8.70 4.75 0.00 2.80 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 11 L 7.51 3.61 0.00 1.80 1.76 0.67 0.78 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 12 S 8.11 4.54 0.00 4.09 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 0.00 13 E 8.55 4.11 0.00 2.01 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 2.23 1.90 0.00 14 E 7.99 4.38 0.00 2.06 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 2.34 2.34 0.00 15 S 8.03 4.12 0.00 3.97 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 16 P 0.00 4.29 0.00 2.15 2.10 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 17 I 7.65 3.74 2.03 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 1.40 0.84 0.89 0.00 0.00 18 L 7.81 3.92 0.00 1.71 1.80 0.87 0.69 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 19 L 7.97 3.96 0.00 1.88 1.68 0.91 0.72 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 20 K 8.13 3.93 0.00 1.96 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.69 7.81 21 K 8.03 3.86 0.00 1.81 1.95 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.42 7.81 22 A 8.00 3.90 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 23 V 8.19 3.16 2.16 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 1.02 0.00 0.00 0.89 0.00 0.00 24 G 7.96 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.52 3.80 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.85 0.93 0.00 0.00 26 A 8.09 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.17 4.07 0.00 1.98 1.94 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.70 1.70 7.81 28 R 7.76 4.00 0.00 2.00 1.98 0.00 3.14 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 29 H 8.18 4.64 0.00 3.24 3.61 0.00 5.80 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.69 4.38 0.00 2.75 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 31 A 8.10 4.91 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.92 4.37 0.00 1.69 1.62 0.00 1.54 0.00 0.00 1.55 0.00 0.00 2.74 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.46 1.38 7.81 33 L 8.59 5.27 0.00 1.72 1.67 0.83 0.67 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 34 S 9.44 5.33 0.00 3.72 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 35 I 8.49 5.13 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 1.23 0.93 0.90 0.00 0.00 36 I 8.61 5.04 1.82 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 1.09 1.55 0.92 0.00 0.00 37 H 9.12 5.10 0.00 3.21 3.09 0.00 5.60 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 38 V 8.03 4.58 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 0.82 0.00 0.00 0.85 0.00 0.00 39 D 9.81 4.66 0.00 2.80 2.62 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 40 V 8.10 4.07 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 0.60 0.00 0.00 0.84 0.00 0.00 41 N 8.94 4.50 0.00 2.72 2.58 0.00 0.00 6.79 8.43 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 42 F 8.12 4.40 0.00 3.00 2.97 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 0.00 0.00 0.00 0.00 43 S 8.92 4.22 0.00 3.97 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 *46 Y 8.50 4.87 0.00 3.01 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 47 T 8.11 4.13 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 1.17 0.00 0.00 48 G 6.35 3.66 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 0.00 0.00 0.00 49 L 8.27 4.42 0.00 1.77 1.73 1.15 0.97 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 50 I 8.64 4.35 1.90 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 1.19 0.93 0.93 0.00 0.00 51 D 8.49 4.98 0.00 2.77 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.51 3.66 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 0.94 0.00 0.00 0.94 0.00 0.00 53 N 8.32 4.33 0.00 2.79 3.04 0.00 0.00 7.35 7.65 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 54 M 8.31 4.11 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 55 S 8.15 4.47 0.00 4.05 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 56 S 8.08 4.15 0.00 3.99 4.06 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 M 7.55 4.59 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.57 0.00 58 Q 7.78 4.37 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.19 6.05 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 59 D 7.95 4.08 0.00 2.83 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 *63 T 8.14 4.22 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 1.23 0.00 0.00 64 E 8.51 3.97 0.00 1.97 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 0.00 2.31 1.94 0.00 65 T 7.91 4.01 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 1.21 0.00 0.00 66 Q 8.18 4.08 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 67 K 8.32 4.04 0.00 1.75 1.81 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 68 A 8.13 4.20 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 69 L 8.00 3.86 0.00 1.86 1.86 0.93 0.38 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 70 L 7.79 3.99 0.00 1.89 1.74 0.92 1.33 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 71 D 8.04 4.38 0.00 2.73 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 72 L 7.69 3.92 0.00 1.81 1.86 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.00 4.13 1.40 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 0.00 0.00 0.00 74 E 7.88 3.93 0.00 1.96 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 2.32 2.31 0.00 75 S 7.85 4.30 0.00 4.11 3.98 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 76 V 6.92 3.80 2.24 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 0.85 0.00 0.00 1.02 0.00 0.00 77 D 8.48 4.75 0.00 2.76 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 78 Y 6.99 4.46 0.00 2.85 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 79 P 0.00 4.33 0.00 2.08 1.90 0.00 2.45 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.58 0.00 80 I 8.18 4.28 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.88 1.00 0.00 0.00 81 S 9.56 4.37 0.00 3.71 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 82 E 8.89 4.65 0.00 1.56 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 2.13 1.62 0.00 83 K 8.41 4.88 0.00 1.63 1.69 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.41 7.81 84 L 8.86 5.33 0.00 1.49 1.51 0.53 0.65 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 85 S 8.32 5.37 0.00 3.88 3.65 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 86 G 8.38 4.60 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 87 S 9.93 5.15 0.00 3.93 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 88 G 8.02 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 89 D 7.95 4.49 0.00 2.76 2.53 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 0.00 90 L 8.66 3.90 0.00 1.70 1.74 0.84 0.98 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 91 G 8.00 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 0.00 0.00 0.00 92 Q 8.57 3.89 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.19 1.80 0.00 93 V 7.82 3.22 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 1.00 0.00 0.00 0.39 0.00 0.00 94 L 7.79 3.96 0.00 1.69 1.65 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.19 4.04 0.00 3.96 3.98 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 96 D 8.19 4.33 0.00 3.09 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 97 A 8.05 4.22 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 98 I 8.04 3.68 2.08 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 0.63 0.92 0.00 0.00 99 E 8.28 3.92 0.00 2.34 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 2.34 2.40 0.00 100 Q 8.19 3.85 0.00 2.09 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.15 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 101 Y 8.21 4.48 0.00 3.06 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 0.00 102 D 7.56 4.39 0.00 2.89 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 0.00 103 V 7.69 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 0.78 0.00 0.00 0.76 0.00 0.00 104 D 8.80 5.06 0.00 2.83 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 0.00 105 L 7.55 4.52 0.00 0.36 0.96 0.60 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.64 4.91 0.00 1.75 1.42 0.86 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.61 4.86 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 0.87 0.00 0.00 0.80 0.00 0.00 108 T 9.01 4.99 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 0.00 109 G 8.57 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.80 5.03 0.00 3.22 3.31 0.00 5.45 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 H 8.86 4.81 0.00 3.39 3.38 0.00 5.85 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 8.10 3.59 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 113 D 8.38 4.46 0.00 2.83 2.56 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 0.00 114 F 6.91 4.43 0.00 3.13 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 0.00 115 W 9.11 4.38 0.00 3.37 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 0.00 116 S 8.47 4.21 0.00 4.14 4.27 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 0.00 117 K 8.04 3.88 0.00 1.92 2.08 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.55 7.81 118 L 7.84 3.80 0.00 1.66 1.52 0.56 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 119 M 8.02 3.71 0.00 1.76 1.79 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.32 0.00 120 S 8.03 4.04 0.00 3.99 4.12 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 0.00 121 S 7.99 4.06 0.00 3.89 3.89 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 0.00 122 T 7.69 3.79 4.12 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 1.12 0.00 0.00 123 R 7.98 3.85 0.00 1.90 1.86 0.00 3.06 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 124 Q 7.92 3.89 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 125 V 7.55 3.66 2.03 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 0.98 0.00 0.00 0.89 0.00 0.00 126 M 8.33 3.94 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 127 N 8.16 4.69 0.00 2.78 2.83 0.00 0.00 6.91 7.05 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 0.00 128 T 7.96 4.49 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 1.24 0.00 0.00 129 I 7.51 4.58 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.73 0.91 0.00 0.00 130 K 8.55 4.63 0.00 1.75 1.65 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 0.95 7.81 131 I 7.44 4.88 2.07 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.13 0.99 0.00 0.00 132 D 8.65 4.60 0.00 2.71 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 0.00 133 M 8.41 5.13 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 134 L 8.87 4.54 0.00 1.70 1.42 0.91 0.84 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 0.00 135 V 8.38 4.53 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 0.78 0.00 0.00 0.88 0.00 0.00 136 V 8.84 4.51 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 0.89 0.00 0.00 0.94 0.00 0.00 137 P 0.00 4.51 0.00 2.05 1.99 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 138 L 8.40 4.35 0.00 1.44 1.51 0.81 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.