NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 E 4.3084 8.3027 120.2212 56.4218 31.7325 177.4305 16 R 3.6479 8.0925 117.8683 58.0571 29.9937 173.2171 17 E 4.4614 8.2545 115.6091 55.9106 31.2017 175.5734 18 G 3.9409 7.8951 105.4863 45.0450 0.0000 174.8163 19 I 3.7127 8.1797 120.5073 64.2189 36.8797 178.2518 20 L 3.9621 8.0582 120.7231 58.3682 41.6864 178.8154 21 F 4.5726 8.1865 119.6761 61.6930 39.5432 176.8475 22 T 3.7018 7.8651 115.2519 67.3102 68.3128 176.6402 23 T 4.0537 8.4772 117.5399 66.6454 68.3849 176.4396 24 L 3.9721 7.6132 120.0584 57.7908 41.7674 179.3032 25 E 4.1298 8.3482 117.5411 58.9516 29.3283 178.9671 26 K 4.1316 8.5128 119.9154 58.5862 32.1595 179.0287 27 L 4.0879 7.5943 119.2419 57.2024 41.8791 179.0869 28 V 3.5650 8.3775 118.3041 66.0397 31.4662 177.7083 29 A 4.0201 8.0639 120.1617 55.2501 18.0976 179.1729 30 W 4.2333 7.8776 125.5214 61.3735 30.7300 177.5326 31 G 3.8296 8.3910 106.4114 47.4319 0.0000 174.8775 32 R 4.4648 8.2731 117.4266 55.9845 29.6299 178.2269 33 S 3.9788 7.9254 114.1621 60.4224 62.6817 173.7865 34 N 4.8495 8.2530 117.3384 53.7042 40.7918 175.3768 35 S 4.4855 7.4585 110.8080 58.3293 63.1692 173.7007 36 L 4.5516 7.6145 121.3513 55.1348 41.6121 177.3748 37 W 5.1830 9.4926 135.0000 54.1410 30.8144 169.8150 38 P 4.4066 0.0000 0.0000 62.8455 31.6802 175.6998 39 A 4.4512 8.6402 128.7931 49.3875 18.3997 174.9497 40 T 3.9164 8.0340 114.6564 62.1890 68.6583 173.4570 41 F 5.0067 8.8256 127.8231 56.8077 38.8272 173.8957 42 G 3.5232 7.8877 107.6717 47.2032 0.0000 170.3833 43 L 4.4971 9.0053 118.9254 53.1528 44.3035 179.1612 44 A 4.7057 8.3136 125.5108 52.4759 18.4382 180.8412 45 C 4.2117 8.9390 119.9168 65.3899 27.9312 174.7424 46 C 4.1804 8.1177 117.7082 62.5798 26.8162 175.6575 47 A 4.0067 7.7728 122.0597 54.7917 17.6672 178.9853 48 I 3.9190 7.4402 116.2811 62.4092 37.8809 176.7747 49 E 4.3305 7.8381 119.1283 57.2632 29.9642 176.9238 50 M 4.2165 7.7695 118.6398 57.4403 30.9837 176.8655 51 M 4.3279 7.6347 117.7415 56.3122 31.9772 176.8865 52 A 4.0536 7.3157 119.8797 52.0341 19.6407 177.6613 53 S 4.5602 7.7809 113.5525 59.9206 64.5758 176.2399 54 T 3.8260 7.8394 116.7621 65.2445 68.4526 175.5978 55 D 4.5619 7.3488 118.5354 55.9474 41.3654 177.3013 56 A 4.2103 7.3474 121.8637 54.5348 20.1787 178.4937 57 R 4.0199 8.2384 108.6956 56.7556 28.2415 178.4663 *74 Q 4.1387 9.1130 109.2507 55.3282 30.5112 174.2533 75 A 5.0550 8.5543 124.3687 50.4174 22.0098 174.9434 76 D 4.7652 8.2066 118.3659 51.9273 42.1173 175.0400 77 V 4.3311 8.4965 117.5771 62.9609 28.8907 169.4380 78 M 5.1060 7.8629 119.9918 53.2838 33.7866 175.5536 79 I 4.6355 8.2942 122.8717 59.6314 39.6145 174.9730 80 V 4.3286 8.7135 128.9371 62.5341 32.4148 174.6406 81 A 4.7180 9.2915 130.3105 50.2052 19.8444 175.0784 82 G 4.1412 8.5495 107.0181 42.8366 0.0000 170.7998 83 R 3.9138 8.0817 117.5434 56.2520 30.1410 176.5843 84 L 4.3480 8.5479 127.4167 53.4701 42.3207 175.7285 85 S 4.6424 8.4125 121.3552 58.0257 63.3140 175.1214 86 K 4.0307 8.1304 122.5511 58.9832 31.7359 179.5816 87 K 4.0738 7.8251 119.1529 59.6985 32.6156 178.2375 88 M 4.1976 8.0283 117.2553 57.9194 32.1835 177.4135 89 A 4.0051 7.5914 121.4035 54.8301 18.6592 177.5673 90 P 4.3146 0.0000 0.0000 64.8962 31.1865 178.5143 91 V 3.7467 7.4961 118.4312 66.2361 31.9313 177.2602 92 M 3.5736 8.1172 117.8296 58.2404 31.8959 177.8896 93 R 3.8308 8.0213 119.0389 59.6826 30.2471 178.5186 94 R 4.2422 7.5400 117.4194 58.8141 29.8838 179.1586 95 V 3.5674 7.3241 116.4390 65.6246 31.4229 177.7613 96 W 4.1188 7.8680 127.0675 60.4323 30.7045 177.3073 97 E 3.8780 8.3820 118.5505 59.1681 30.1356 177.9822 98 Q 4.4337 7.6300 117.6628 54.8110 27.0966 174.3123 99 M 4.6711 6.9813 118.1099 52.4035 36.1997 171.9266 100 P 4.3122 0.0000 0.0000 62.9341 31.6793 175.4725 101 D 4.1754 8.2837 116.3235 55.9051 41.4139 174.7443 102 P 4.0532 0.0000 0.0000 61.7240 29.7139 175.0708 103 K 4.4296 6.7281 120.5321 54.8183 36.1225 175.3835 104 W 5.4573 8.6332 118.8149 55.3202 34.4031 174.3581 105 V 4.9813 8.7632 120.6119 60.3270 33.7847 174.5412 106 I 4.7397 8.4355 129.3198 60.4587 39.1640 174.9176 107 S 5.1387 8.7774 120.5882 56.7993 65.3698 172.4543 108 M 4.3395 9.6676 126.5080 54.8021 33.0125 177.0305 109 G 3.9159 9.1537 116.6034 44.7155 0.0000 173.4281 110 A 4.0029 8.3084 119.3673 55.7677 17.9125 179.6908 111 C 4.1391 8.1688 112.6828 63.3996 28.6243 175.7573 112 A 4.1679 8.0615 122.0377 55.1104 18.2024 179.1103 113 S 4.3981 8.8269 112.4982 62.3350 63.2974 176.5459 114 S 4.9149 8.5033 118.1558 56.8945 65.1408 174.5339 115 G 4.3179 8.1184 108.4288 45.5235 0.0000 174.6700 116 G 4.0265 7.7152 108.5365 47.0464 0.0000 174.8659 117 M 4.2257 8.3260 121.3183 54.8004 31.6532 176.7183 118 F 4.6393 7.3464 118.4534 56.2534 39.0734 175.2461 119 N 4.9986 8.2637 129.0054 51.8369 37.6343 172.3385 120 N 5.1909 7.4750 115.8663 51.5439 40.9727 174.1861 121 Y 4.2283 9.2889 114.7239 60.1784 37.9142 176.8866 122 A 3.7029 7.6710 122.4536 53.1069 18.9368 176.8399 123 I 4.5423 7.2173 114.8269 59.1243 41.0537 175.0027 124 V 3.9125 7.9729 122.7985 62.7542 32.0217 176.3609 125 Q 4.3268 8.5791 124.3861 56.5856 29.4466 174.9234 126 N 5.0571 7.4649 113.9370 53.2817 41.9016 175.2681 127 V 3.5955 8.3316 125.0253 65.5477 31.7850 177.1206 128 D 5.2128 8.1363 117.6592 55.8971 41.1169 177.2608 129 S 4.3065 8.0754 114.5811 61.0411 63.1175 175.3098 130 V 4.1822 7.5605 111.3744 61.7046 33.9047 176.2998 131 V 3.5919 7.6301 111.6501 58.0993 34.9434 173.1749 132 P 4.5830 0.0000 0.0000 62.5099 31.5558 176.0229 133 V 4.1833 8.8357 124.3332 61.8025 32.5101 174.9984 134 D 4.7693 8.9626 127.0452 55.5101 42.3177 177.2576 135 V 4.4768 7.3963 116.7025 61.2157 35.1756 173.8581 136 Y 5.1395 9.0110 124.2090 55.6123 40.2352 175.7784 137 V 4.5193 8.7496 122.8119 58.9901 33.5539 173.3971 138 P 4.6043 0.0000 0.0000 63.2547 32.4342 174.9067 139 G 4.0838 8.3254 105.8445 44.3592 0.0000 173.1562 140 C 4.6046 7.8282 116.4511 58.2283 32.4001 171.3076 141 P 4.6001 0.0000 0.0000 60.4777 32.2575 175.1165 142 P 4.2625 0.0000 0.0000 62.7372 31.8169 176.1634 143 R 3.9920 8.6102 121.0982 56.3441 30.8735 175.3172 144 P 4.2534 0.0000 0.0000 65.8721 31.3567 178.9044 145 E 4.0428 8.3088 116.3290 59.0145 29.2804 178.8384 146 A 4.2322 7.8718 120.6925 54.3290 18.8844 179.2683 147 L 4.0185 7.9894 119.1690 58.3900 42.0764 178.6394 148 I 3.6665 7.8458 119.6404 64.4977 37.1496 177.1430 149 Y 4.0827 8.2328 119.6916 60.9672 38.6348 178.8085 150 A 3.9592 8.0477 121.6416 55.2550 18.3663 180.0535 151 V 3.5784 7.6651 110.3192 64.3440 31.4997 178.5732 152 M 3.9475 7.8407 118.8347 58.3298 31.4932 178.5271 153 Q 3.6397 7.3071 118.3002 58.9149 29.5523 177.4145 154 L 3.8760 7.4185 121.1563 58.7381 41.9951 178.1012 155 Q 3.5726 8.7019 119.5850 59.8992 28.1629 178.7901 156 K 4.2264 8.3189 114.9101 56.8127 31.8140 178.4433 157 K 4.4377 7.7508 122.6768 57.3465 34.2341 178.7631 158 V 3.8140 7.3207 111.2430 63.9114 31.4297 177.6867 159 R 3.9406 7.7478 117.6289 57.1003 29.9890 176.9174 160 G 3.8623 8.1838 106.0958 46.7961 0.0000 173.6801 161 Q 4.4161 7.3682 118.6171 54.8742 29.7677 174.8584 162 A 4.2667 7.2891 117.5220 49.9153 22.0492 175.6274 163 Y 5.5097 8.2058 117.9260 54.9859 42.1925 174.4823 164 N 4.9055 8.3739 118.5759 51.3738 39.6481 175.6960 165 E 4.0270 8.7785 116.9285 59.7489 29.5151 179.1380 166 R 3.9288 8.0990 116.9336 57.9596 30.1706 177.6763 167 G 3.9805 8.4031 105.5271 45.4218 0.0000 172.8365 168 E 4.5276 8.0120 118.3228 54.2606 31.1051 175.5157 169 R 4.7919 8.5594 123.1003 56.6988 30.9963 175.3327 170 L 4.9111 8.2353 126.1688 51.9751 43.5518 174.7071 171 P 4.2924 0.0000 0.0000 62.8410 30.9339 174.8833 172 P 4.5782 0.0000 0.0000 64.5943 31.7104 176.7204 173 V 4.3981 7.6373 115.9856 60.8528 33.2870 175.8122 174 A 4.3081 7.9449 129.2178 50.3579 16.8211 177.5806 175 A 4.1521 8.0883 122.9659 53.2700 19.1845 176.7740 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 15 E 8.30 4.31 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 2.25 2.26 0.00 16 R 8.09 3.65 0.00 1.81 2.04 0.00 3.51 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.80 0.00 17 E 8.25 4.46 0.00 2.00 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 2.26 2.40 0.00 18 G 7.90 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 0.00 0.00 0.00 19 I 8.18 3.71 1.89 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 1.54 0.51 0.92 0.00 0.00 20 L 8.06 3.96 0.00 1.79 1.75 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.19 4.57 0.00 3.15 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 22 T 7.87 3.70 4.45 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 0.00 0.00 0.00 1.19 0.00 0.00 23 T 8.48 4.05 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 1.17 0.00 0.00 24 L 7.61 3.97 0.00 2.11 1.68 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.35 4.13 0.00 1.97 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 2.14 2.17 0.00 26 K 8.51 4.13 0.00 1.81 1.90 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.61 7.81 27 L 7.59 4.09 0.00 1.99 1.69 0.81 1.04 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 28 V 8.38 3.56 2.23 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 1.05 0.00 0.00 1.01 0.00 0.00 29 A 8.06 4.02 1.48 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 30 W 7.88 4.23 0.00 3.49 3.32 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 31 G 8.39 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 32 R 8.27 4.46 0.00 2.24 2.28 0.00 3.25 0.00 0.00 3.29 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.67 0.00 33 S 7.93 3.98 0.00 3.76 3.74 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 34 N 8.25 4.85 0.00 2.84 2.71 0.00 0.00 6.61 7.99 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 35 S 7.46 4.49 0.00 3.94 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 36 L 7.61 4.55 0.00 1.69 1.67 0.71 0.50 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 37 W 9.49 5.18 0.00 3.31 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 38 P 0.00 4.41 0.00 1.74 1.96 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 39 A 8.64 4.45 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 40 T 8.03 3.92 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 1.16 0.00 0.00 41 F 8.83 5.01 0.00 3.07 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 42 G 7.89 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 43 L 9.01 4.50 0.00 1.36 1.32 0.87 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.31 4.71 0.88 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 0.00 0.00 45 C 8.94 4.21 0.00 2.99 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 46 C 8.12 4.18 0.00 3.07 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 47 A 7.77 4.01 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 48 I 7.44 3.92 1.98 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 1.38 0.59 0.90 0.00 0.00 49 E 7.84 4.33 0.00 2.09 1.92 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 2.44 2.34 0.00 50 M 7.77 4.22 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.46 0.00 51 M 7.63 4.33 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.52 0.00 52 A 7.32 4.05 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 53 S 7.78 4.56 0.00 4.05 4.07 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 54 T 7.84 3.83 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 1.13 0.00 0.00 55 D 7.35 4.56 0.00 2.70 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 7.35 4.21 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 57 R 8.24 4.02 0.00 1.92 1.63 0.00 3.16 0.00 0.00 3.25 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.83 0.00 *74 Q 9.11 4.14 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 75 A 8.55 5.05 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 76 D 8.21 4.77 0.00 3.15 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 77 V 8.50 4.33 2.23 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 1.05 0.00 0.00 1.27 0.00 0.00 78 M 7.86 5.11 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.59 0.00 79 I 8.29 4.64 1.90 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 1.25 0.86 0.93 0.00 0.00 80 V 8.71 4.33 2.15 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 1.05 0.00 0.00 1.01 0.00 0.00 81 A 9.29 4.72 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 82 G 8.55 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 0.00 0.00 0.00 83 R 8.08 3.91 0.00 1.68 1.86 0.00 2.66 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.37 0.00 84 L 8.55 4.35 0.00 1.76 1.64 0.94 0.80 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 S 8.41 4.64 0.00 3.86 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 86 K 8.13 4.03 0.00 1.72 1.83 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.39 7.81 87 K 7.83 4.07 0.00 1.72 1.80 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.48 7.81 88 M 8.03 4.20 0.00 2.29 2.04 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.65 0.00 89 A 7.59 4.01 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 90 P 0.00 4.31 0.00 2.28 2.33 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 91 V 7.50 3.75 2.38 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 1.15 0.00 0.00 0.97 0.00 0.00 92 M 8.12 3.57 0.00 2.15 2.13 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 1.77 2.30 0.00 93 R 8.02 3.83 0.00 2.03 2.05 0.00 3.31 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 94 R 7.54 4.24 0.00 2.10 1.98 0.00 3.21 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.52 0.00 95 V 7.32 3.57 1.94 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 0.68 0.00 0.00 0.85 0.00 0.00 96 W 7.87 4.12 0.00 3.21 3.35 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 97 E 8.38 3.88 0.00 2.26 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 2.53 2.83 0.00 98 Q 7.63 4.43 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 99 M 6.98 4.67 0.00 1.51 1.76 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 100 P 0.00 4.31 0.00 2.11 2.04 0.00 3.77 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 1.89 2.00 0.00 101 D 8.28 4.18 0.00 2.52 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 0.00 0.00 0.00 0.00 102 P 0.00 4.05 0.00 2.01 1.94 0.00 3.56 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 103 K 6.73 4.43 0.00 1.48 1.39 0.00 0.65 0.00 0.00 1.33 0.00 0.00 2.27 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 1.17 7.81 104 W 8.63 5.46 0.00 3.37 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 0.00 105 V 8.76 4.98 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 1.34 0.00 0.00 1.14 0.00 0.00 106 I 8.44 4.74 1.88 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 1.38 0.75 0.91 0.00 0.00 107 S 8.78 5.14 0.00 3.91 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 0.00 108 M 9.67 4.34 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 109 G 9.15 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 0.00 110 A 8.31 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 0.00 111 C 8.17 4.14 0.00 3.02 3.08 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 0.00 0.00 0.00 0.00 112 A 8.06 4.17 1.44 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 0.00 0.00 113 S 8.83 4.40 0.00 3.97 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 0.00 114 S 8.50 4.91 0.00 3.94 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 0.00 115 G 8.12 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 0.00 0.00 0.00 0.00 116 G 7.72 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 M 8.33 4.23 0.00 1.76 1.84 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.81 0.00 118 F 7.35 4.64 0.00 3.11 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 0.00 119 N 8.26 5.00 0.00 2.68 2.77 0.00 0.00 7.01 7.79 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 0.00 120 N 7.48 5.19 0.00 3.17 2.94 0.00 0.00 6.37 7.55 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 0.00 121 Y 9.29 4.23 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 0.00 122 A 7.67 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.22 4.54 1.90 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.61 0.97 0.00 0.00 124 V 7.97 3.91 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 0.76 0.00 0.00 1.00 0.00 0.00 125 Q 8.58 4.33 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.63 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 126 N 7.46 5.06 0.00 2.69 2.63 0.00 0.00 7.32 7.71 0.00 0.00 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 8.33 3.60 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 1.07 0.00 0.00 128 D 8.14 5.21 0.00 2.93 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 0.00 129 S 8.08 4.31 0.00 3.95 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 0.00 130 V 7.56 4.18 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 0.70 0.00 0.00 0.91 0.00 0.00 131 V 7.63 3.59 0.67 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 0.35 0.00 0.00 0.64 0.00 0.00 132 P 0.00 4.58 0.00 2.05 1.97 0.00 2.81 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.87 0.00 133 V 8.84 4.18 1.54 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 0.06 0.00 0.00 0.86 0.00 0.00 134 D 8.96 4.77 0.00 2.66 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 0.00 135 V 7.40 4.48 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 1.15 0.00 0.00 0.90 0.00 0.00 136 Y 9.01 5.14 0.00 2.88 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 0.00 137 V 8.75 4.52 2.15 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 0.92 0.00 0.00 1.05 0.00 0.00 138 P 0.00 4.60 0.00 2.11 2.12 0.00 3.84 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 139 G 8.33 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 C 7.83 4.60 0.00 2.90 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 0.00 141 P 0.00 4.60 0.00 2.23 2.04 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 142 P 0.00 4.26 0.00 2.22 2.36 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 143 R 8.61 3.99 0.00 1.85 1.86 0.00 3.17 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.68 0.00 144 P 0.00 4.25 0.00 2.20 2.08 0.00 3.66 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 145 E 8.31 4.04 0.00 2.05 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 2.40 2.45 0.00 146 A 7.87 4.23 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 0.00 147 L 7.99 4.02 0.00 1.73 1.79 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.85 3.67 2.02 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 1.53 0.32 0.95 0.00 0.00 149 Y 8.23 4.08 0.00 2.98 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 0.00 150 A 8.05 3.96 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 0.00 151 V 7.67 3.58 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 0.88 0.00 0.00 0.96 0.00 0.00 152 M 7.84 3.95 0.00 1.86 1.91 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.45 0.00 153 Q 7.31 3.64 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 154 L 7.42 3.88 0.00 1.70 1.60 0.51 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 155 Q 8.70 3.57 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.08 2.34 0.00 156 K 8.32 4.23 0.00 1.64 1.65 0.00 1.54 0.00 0.00 1.46 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.46 7.81 157 K 7.75 4.44 0.00 1.65 1.84 0.00 1.61 0.00 0.00 1.59 0.00 0.00 3.24 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.25 1.30 7.81 158 V 7.32 3.81 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 -0.58 0.00 0.00 0.64 0.00 0.00 159 R 7.75 3.94 0.00 1.70 2.00 0.00 3.12 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 1.43 1.57 0.00 160 G 8.18 3.86 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 0.00 0.00 0.00 161 Q 7.37 4.42 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 162 A 7.29 4.27 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 0.00 163 Y 8.21 5.51 0.00 2.90 3.03 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 0.00 0.00 0.00 0.00 164 N 8.37 4.91 0.00 3.00 3.04 0.00 0.00 5.93 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 0.00 165 E 8.78 4.03 0.00 2.01 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 0.00 2.35 2.31 0.00 166 R 8.10 3.93 0.00 1.90 2.02 0.00 3.14 0.00 0.00 3.40 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 167 G 8.40 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 0.00 0.00 0.00 168 E 8.01 4.53 0.00 2.10 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 2.35 2.31 0.00 169 R 8.56 4.79 0.00 2.08 1.96 0.00 3.30 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 170 L 8.24 4.91 0.00 1.83 1.59 0.97 0.98 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 0.00 171 P 0.00 4.29 0.00 2.13 2.13 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 172 P 0.00 4.58 0.00 2.28 2.44 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 173 V 7.64 4.40 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 0.63 0.00 0.00 0.77 0.00 0.00 174 A 7.94 4.31 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 175 A 8.09 4.15 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 * Residues marked with a * may have inaccurate shift predictions.