NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2660 8.0333 110.9594 61.5606 69.2916 171.2255 3 L 3.7116 7.8690 125.7048 54.8480 41.9765 176.4316 *4 H 4.3331 8.8280 122.7307 53.7311 28.3257 172.3538 5 K 4.0773 8.7288 127.9185 58.5499 32.0486 177.8527 6 E 4.2258 8.2011 117.2416 58.2345 29.8126 176.8793 7 R 4.8809 8.3788 116.3857 55.2138 29.9987 176.0458 8 R 4.1251 7.9797 118.6198 57.0878 30.8321 176.3029 9 I 3.3042 8.2546 125.3969 63.6368 38.1740 177.9687 10 G 3.4441 7.7934 106.1124 47.7314 0.0000 175.3974 11 R 3.8179 7.8249 121.4703 59.0040 30.1886 178.3283 12 L 3.8434 7.8325 118.8444 57.8067 41.0494 179.7641 13 S 4.0666 7.7416 113.6875 61.0479 62.8717 176.8205 14 V 3.6410 7.6230 121.6463 65.8205 31.1541 177.8459 15 L 3.9124 7.6738 117.4287 57.8414 41.6560 179.0710 16 L 4.0407 7.7438 119.7301 58.0900 41.8372 178.8051 17 L 4.1230 7.3873 118.1897 57.3454 42.1365 177.8489 18 L 4.2007 7.8378 116.5833 53.9836 42.3197 175.9187 19 N 4.8775 7.1681 118.1765 51.6547 40.0163 174.8954 20 E 3.8947 8.3597 118.3088 58.3063 30.1801 175.2659 21 A 4.4223 7.4812 122.3940 51.7454 22.4274 176.8725 *26 Q 4.4129 8.6766 121.0758 54.9090 30.8951 174.7008 27 V 3.7444 7.7888 109.6323 65.0660 31.4251 178.2298 28 E 4.2122 8.2660 120.2802 59.6539 29.1782 179.5701 29 E 4.0172 8.1074 117.2324 61.1721 30.0564 181.2860 30 L 4.6541 7.7675 119.8963 57.7610 41.7530 179.5127 31 E 4.3914 8.8148 122.6189 59.7267 29.2514 180.4111 32 R 4.1082 8.1967 119.1645 60.6340 29.3977 179.2983 33 D 4.9732 7.7429 115.1591 53.6671 42.2406 176.1335 34 G 3.4483 8.0128 106.0027 46.1418 0.0000 174.4122 35 W 5.1211 7.6927 119.7818 55.1824 33.0822 177.4864 36 K 4.3088 9.4936 129.6465 55.0404 32.0925 172.5874 37 V 4.7725 8.4867 126.4702 60.3606 33.3564 174.3184 38 C 5.0444 8.9804 128.0853 57.8226 34.8015 172.1844 39 L 4.7076 8.0303 124.2796 54.3003 45.0119 174.6380 40 G 3.6996 7.1983 112.6622 46.4738 0.0000 172.4020 41 K 5.3930 8.4963 121.9190 53.5434 36.0374 172.3392 42 V 4.4400 9.7054 123.7379 59.7186 34.8659 173.9653 43 G 4.3584 8.6901 112.6473 44.5502 0.0000 171.7990 44 S 4.8030 8.8203 119.7271 57.7383 66.7692 174.4075 45 M 4.5668 8.7018 117.6027 54.7916 31.7019 174.5963 46 D 5.0052 8.1847 121.3945 52.7006 42.6815 177.3622 47 A 3.9912 8.5746 126.6544 55.2614 18.4445 179.0581 48 H 4.2851 8.1216 113.2509 58.4917 28.8467 177.6399 49 K 4.0572 7.4838 120.6123 58.5058 31.7443 179.4736 50 V 3.5135 7.4323 118.6470 65.9298 31.5839 177.9617 51 I 3.5839 7.5636 118.9303 64.2477 37.0400 178.3493 52 A 4.0200 8.1165 121.5157 54.9897 18.1721 179.5956 53 A 3.9871 7.8363 118.9775 55.3079 18.4295 179.9890 54 I 3.2231 7.2440 118.3958 64.0713 37.1812 178.2520 55 E 3.9565 8.1180 120.3425 59.4934 29.3805 179.1272 56 T 3.9037 7.8914 115.2250 66.6688 68.0687 176.7694 57 A 4.0779 8.0942 122.7002 55.3037 18.3947 179.8339 58 S 4.2819 8.3057 113.7127 61.3118 62.7009 176.8968 59 K 4.1764 7.9736 122.7022 60.1116 31.9963 179.4786 60 K 4.3992 8.3181 124.2522 58.6274 32.2906 180.9708 61 S 4.6752 8.2249 122.2474 57.1319 63.6760 173.2953 62 G 4.1974 8.3901 122.6949 46.3153 0.0000 171.4312 63 V 3.8353 9.1314 121.4182 64.7137 32.4749 176.1458 64 I 4.6195 7.3530 111.7499 58.4102 39.2271 175.0976 65 Q 3.9772 9.5519 122.4540 56.4518 28.0504 177.2655 66 S 4.3333 8.8505 119.5821 59.8466 62.5804 174.1057 67 E 4.6415 7.8781 114.3574 55.7981 32.5731 181.6001 68 G 4.0402 8.8740 107.9568 45.5495 0.0000 172.6719 69 Y 4.6888 8.2812 116.7455 59.1090 39.5853 177.1557 70 R 3.6546 7.8653 119.3994 59.7836 30.2907 177.8244 71 E 4.0208 8.0615 117.2918 59.0497 29.7713 178.9971 72 S 4.2620 7.9596 114.3753 61.0726 62.8615 175.8853 73 H 4.0115 7.7476 121.2510 58.8690 29.7058 177.0511 74 A 3.9562 7.6434 122.6623 54.7464 18.0547 179.4463 75 L 3.9169 7.8520 118.9436 58.2589 42.1430 178.3681 76 Y 3.9188 7.9226 119.4850 61.2027 38.7673 177.9724 77 H 4.1366 8.3461 116.7691 58.4972 28.6306 177.8257 78 A 3.9943 7.9048 122.7545 55.4234 18.2626 179.7815 79 T 3.7030 8.1446 114.7275 66.9288 68.2572 176.5476 80 M 3.7784 7.7023 119.2706 58.4966 32.4568 177.5515 81 E 4.1273 8.0854 119.2876 59.2516 29.8015 178.7011 82 A 3.9937 8.2142 121.0540 54.9579 18.4985 179.5288 83 L 4.0386 8.1190 117.2475 57.6595 41.5095 179.3326 84 H 4.2686 7.8491 116.4755 58.8710 28.4144 177.9050 85 G 3.8037 8.0048 107.2698 47.1739 0.0000 175.5247 86 V 4.3249 7.9104 120.9226 65.2456 31.7610 177.4117 87 T 4.1403 7.9835 107.9919 61.7752 70.6861 174.9738 88 R 3.7548 8.9999 119.0424 55.6744 27.3003 173.4179 89 G 3.6471 7.1986 111.7773 44.6926 0.0000 172.0212 90 E 4.5796 7.6067 121.4885 53.8416 32.3594 177.7281 91 M 4.4838 8.4870 127.0757 54.8393 30.2297 176.0944 92 L 4.8232 7.2640 117.3326 53.1387 46.1554 175.2577 93 L 4.6058 7.9775 118.3975 56.4306 45.1120 179.2632 94 G 3.5318 8.5251 107.2159 48.6471 0.0000 175.6067 95 S 4.3182 8.0415 112.5686 59.6887 63.2600 174.5017 96 L 4.5725 7.5390 119.7227 53.7869 42.2076 175.6960 97 L 3.6396 7.8202 118.7976 56.0526 40.6821 173.9168 98 R 4.9659 8.5234 112.0295 54.8222 33.2540 174.5590 99 T 4.7522 9.2645 113.6618 60.6405 71.5460 172.7897 100 V 4.9388 8.8063 118.7004 59.6298 35.8786 175.3275 101 G 4.1778 8.8653 109.8553 44.3563 0.0000 170.4965 102 L 5.2963 9.1304 126.8925 52.6879 44.6223 176.2015 103 R 4.9433 9.3339 123.5253 55.5912 32.2405 175.4888 104 F 5.6035 8.6497 115.6028 55.3914 42.0736 173.1636 105 A 5.1301 9.2441 121.3456 50.2599 22.6244 175.0341 106 V 4.7672 8.8239 121.9432 60.9879 34.4387 174.0308 107 L 5.1488 8.9531 130.1442 53.3567 44.7032 174.7765 108 R 5.3030 10.0201 127.3254 53.7358 33.0621 176.0262 109 G 3.6041 7.9139 112.1144 45.9998 0.0000 169.9789 110 N 5.2905 7.9206 119.3754 51.4628 39.3036 173.3117 111 P 4.8611 0.0000 0.0000 63.2714 32.3004 175.6388 112 Y 4.8130 8.1991 119.5452 57.2329 39.2957 176.2079 113 E 4.1530 8.7878 118.6398 59.0557 30.3443 179.3304 114 S 4.5073 7.9619 116.4438 57.8631 63.5234 174.7337 115 E 4.2526 8.8447 122.9891 57.5081 29.2529 177.2930 116 A 4.4063 7.7200 121.4074 53.2282 19.4950 178.5208 117 E 4.0434 8.0863 114.5588 57.0504 29.9037 178.4899 118 G 3.9869 8.0254 107.0827 44.6317 0.0000 172.4142 119 D 5.0087 8.3770 117.6991 54.2745 42.2666 175.8380 120 W 5.3928 9.8847 121.2773 54.9746 33.9815 173.9342 121 I 5.2275 9.6834 121.6220 59.3195 41.2717 174.0884 122 A 5.0600 8.9514 129.4275 50.3569 21.9406 175.0029 123 V 4.6667 8.8681 123.7240 62.2734 33.1528 174.9352 124 S 5.4236 9.5173 124.6257 56.9036 65.9677 173.3492 125 L 5.3703 9.0742 122.4623 53.4132 45.7957 174.9545 126 Y 4.8828 8.3087 123.6359 54.8370 42.6311 174.3223 127 G 4.3123 6.7989 113.5718 46.2187 0.0000 172.3241 128 T 4.8798 7.5396 113.8834 59.5362 72.2647 172.7010 129 I 4.8665 8.1884 124.0509 59.4289 41.3406 174.7540 130 G 4.3338 8.2941 114.2369 45.8631 0.0000 172.2197 131 A 4.4675 8.5114 121.7354 51.1906 18.4222 176.6338 132 P 4.2564 0.0000 0.0000 65.5302 31.7639 177.8741 133 I 3.7624 7.7807 121.4249 61.6118 37.6814 177.0018 134 K 3.7806 8.9825 127.5364 57.7759 31.3409 175.8153 135 G 4.0480 7.9530 104.6344 45.1581 0.0000 174.6501 136 L 4.4655 7.3739 123.0170 52.0500 40.2024 175.0594 137 E 4.9872 7.6360 117.1622 55.1990 32.3219 174.6679 138 H 5.1011 8.0355 115.3401 53.2944 32.3587 172.6423 139 E 4.5891 8.7620 117.7313 57.1383 30.1080 176.5583 140 T 4.8722 8.3406 114.9189 60.9687 71.1485 172.5119 141 F 5.2321 8.5544 123.7074 56.1804 44.3664 173.7805 142 G 4.7550 8.4131 102.0212 46.3772 0.0000 172.6535 143 V 5.0039 8.9010 125.7176 60.9678 34.4216 174.6967 144 G 4.2461 9.2846 114.8848 44.4708 0.0000 171.3863 145 I 5.3063 8.5631 125.8193 59.6210 39.8046 174.5792 146 N 5.2745 9.4301 124.8019 52.0701 42.8314 173.0815 147 H 3.6632 8.0834 119.9424 54.9875 29.7101 174.9262 148 I 4.0745 7.7021 120.2429 61.2191 37.7745 174.8109 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 2 T 8.03 4.27 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 1.24 0.00 0.00 3 L 7.87 3.71 0.00 1.62 1.49 0.78 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 *4 H 8.83 4.33 0.00 2.86 2.99 0.00 7.23 0.00 0.00 0.00 0.00 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.73 4.08 0.00 1.68 1.88 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.46 7.81 6 E 8.20 4.23 0.00 2.03 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 2.25 0.00 7 R 8.38 4.88 0.00 2.43 2.30 0.00 2.77 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.84 0.00 8 R 7.98 4.13 0.00 1.80 1.84 0.00 3.06 0.00 0.00 3.19 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 9 I 8.25 3.30 1.94 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 1.51 1.01 0.89 0.00 0.00 10 G 7.79 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 0.00 0.00 0.00 11 R 7.82 3.82 0.00 1.80 1.99 0.00 3.12 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 12 L 7.83 3.84 0.00 1.35 1.29 0.58 0.41 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 13 S 7.74 4.07 0.00 4.05 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 14 V 7.62 3.64 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 1.01 0.00 0.00 1.02 0.00 0.00 15 L 7.67 3.91 0.00 1.70 1.67 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.74 4.04 0.00 1.72 1.70 0.89 0.26 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 17 L 7.39 4.12 0.00 1.72 1.99 1.06 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.84 4.20 0.00 1.67 1.59 0.90 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.17 4.88 0.00 2.71 2.69 0.00 0.00 6.79 7.54 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 20 E 8.36 3.89 0.00 1.98 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 2.24 1.90 0.00 21 A 7.48 4.42 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 *26 Q 8.68 4.41 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.84 0.00 0.00 0.00 0.00 0.00 2.26 1.96 0.00 27 V 7.79 3.74 2.30 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 0.73 0.00 0.00 0.93 0.00 0.00 28 E 8.27 4.21 0.00 2.07 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 2.41 2.45 0.00 29 E 8.11 4.02 0.00 2.06 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 2.23 1.98 0.00 30 L 7.77 4.65 0.00 1.92 1.90 0.83 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.81 4.39 0.00 2.21 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 2.39 2.34 0.00 32 R 8.20 4.11 0.00 1.90 1.86 0.00 3.25 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 33 D 7.74 4.97 0.00 2.68 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 34 G 8.01 3.45 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 0.00 35 W 7.69 5.12 0.00 3.32 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 36 K 9.49 4.31 0.00 1.43 1.73 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.26 7.81 37 V 8.49 4.77 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 0.94 0.00 0.00 1.07 0.00 0.00 38 C 8.98 5.04 0.00 3.08 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 39 L 8.03 4.71 0.00 1.56 1.36 0.85 0.85 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 40 G 7.20 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 0.00 0.00 0.00 41 K 8.50 5.39 0.00 1.48 1.51 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.73 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 0.99 7.81 42 V 9.71 4.44 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 0.73 0.00 0.00 0.98 0.00 0.00 43 G 8.69 4.36 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 0.00 44 S 8.82 4.80 0.00 3.86 3.62 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 45 M 8.70 4.57 0.00 2.18 2.22 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 2.53 2.50 0.00 46 D 8.18 5.01 0.00 2.51 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 0.00 0.00 0.00 0.00 47 A 8.57 3.99 1.29 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 48 H 8.12 4.29 0.00 3.44 3.60 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.48 4.06 0.00 1.85 1.83 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.14 7.81 50 V 7.43 3.51 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 0.95 0.00 0.00 0.87 0.00 0.00 51 I 7.56 3.58 1.87 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 1.27 0.40 0.87 0.00 0.00 52 A 8.12 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 53 A 7.84 3.99 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 54 I 7.24 3.22 1.56 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.73 0.00 0.00 55 E 8.12 3.96 0.00 2.18 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 0.00 2.34 2.39 0.00 56 T 7.89 3.90 4.28 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 1.25 0.00 0.00 57 A 8.09 4.08 1.62 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 0.00 0.00 58 S 8.31 4.28 0.00 3.97 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 59 K 7.97 4.18 0.00 1.99 1.89 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.57 7.81 60 K 8.32 4.40 0.00 1.84 1.64 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.32 7.81 61 S 8.22 4.68 0.00 4.11 4.11 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 62 G 8.39 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 0.00 0.00 0.00 0.00 63 V 9.13 3.84 2.26 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 0.94 0.00 0.00 1.06 0.00 0.00 64 I 7.35 4.62 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.87 0.94 0.00 0.00 65 Q 9.55 3.98 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 66 S 8.85 4.33 0.00 3.85 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 67 E 7.88 4.64 0.00 2.01 1.65 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 2.13 2.08 0.00 68 G 8.87 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 0.00 0.00 0.00 69 Y 8.28 4.69 0.00 2.97 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 70 R 7.87 3.65 0.00 1.88 1.91 0.00 3.19 0.00 0.00 3.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 71 E 8.06 4.02 0.00 2.05 1.97 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 2.36 2.38 0.00 72 S 7.96 4.26 0.00 4.04 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 73 H 7.75 4.01 0.00 2.33 3.14 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.64 3.96 1.29 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 75 L 7.85 3.92 0.00 1.93 1.69 0.94 0.73 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 76 Y 7.92 3.92 0.00 3.13 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 77 H 8.35 4.14 0.00 3.26 3.30 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.90 3.99 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 79 T 8.14 3.70 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 1.03 0.00 0.00 80 M 7.70 3.78 0.00 1.80 1.68 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 81 E 8.09 4.13 0.00 2.46 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 0.00 2.36 2.42 0.00 82 A 8.21 3.99 1.49 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 0.00 0.00 83 L 8.12 4.04 0.00 1.76 1.65 0.79 0.87 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 84 H 7.85 4.27 0.00 3.62 3.35 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.00 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 0.00 0.00 0.00 86 V 7.91 4.32 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 0.91 0.00 0.00 1.03 0.00 0.00 87 T 7.98 4.14 4.48 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 1.19 0.00 0.00 88 R 9.00 3.75 0.00 1.97 2.04 0.00 3.20 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 89 G 7.20 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 0.00 0.00 0.00 90 E 7.61 4.58 0.00 1.93 1.86 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 2.20 2.23 0.00 91 M 8.49 4.48 0.00 1.96 2.01 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 2.48 2.45 0.00 92 L 7.26 4.82 0.00 1.56 1.50 0.92 1.00 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 93 L 7.98 4.61 0.00 1.87 1.74 0.84 0.97 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 94 G 8.53 3.53 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 0.00 0.00 0.00 95 S 8.04 4.32 0.00 3.99 4.01 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 96 L 7.54 4.57 0.00 1.61 1.67 0.92 0.95 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 97 L 7.82 3.64 0.00 1.75 1.70 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.52 4.97 0.00 1.80 1.80 0.00 3.04 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 99 T 9.26 4.75 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 0.00 100 V 8.81 4.94 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 0.61 0.00 0.00 0.96 0.00 0.00 101 G 8.87 4.18 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 0.00 102 L 9.13 5.30 0.00 1.68 1.58 0.89 0.77 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 0.00 103 R 9.33 4.94 0.00 1.88 1.84 0.00 3.08 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 104 F 8.65 5.60 0.00 3.14 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 0.00 105 A 9.24 5.13 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 0.00 106 V 8.82 4.77 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 1.09 0.00 0.00 1.10 0.00 0.00 107 L 8.95 5.15 0.00 1.70 1.39 0.75 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 108 R 10.02 5.30 0.00 2.02 1.87 0.00 3.47 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 109 G 7.91 3.60 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 0.00 110 N 7.92 5.29 0.00 2.73 2.70 0.00 0.00 6.85 7.69 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 0.00 111 P 0.00 4.86 0.00 1.83 2.36 0.00 4.10 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.84 0.00 112 Y 8.20 4.81 0.00 3.08 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 0.00 113 E 8.79 4.15 0.00 2.00 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 2.26 2.16 0.00 114 S 7.96 4.51 0.00 3.91 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 0.00 115 E 8.84 4.25 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 2.25 0.00 116 A 7.72 4.41 1.29 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 0.00 117 E 8.09 4.04 0.00 2.28 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 2.33 2.29 0.00 118 G 8.03 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 0.00 0.00 0.00 119 D 8.38 5.01 0.00 2.74 2.68 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 0.00 120 W 9.88 5.39 0.00 3.34 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 0.00 121 I 9.68 5.23 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.82 0.99 0.00 0.00 122 A 8.95 5.06 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 0.00 123 V 8.87 4.67 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.95 0.00 0.00 124 S 9.52 5.42 0.00 3.82 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 0.00 125 L 9.07 5.37 0.00 1.70 1.53 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.31 4.88 0.00 2.44 2.57 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 0.00 127 G 6.80 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 0.00 0.00 0.00 0.00 128 T 7.54 4.88 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 1.07 0.00 0.00 129 I 8.19 4.87 1.81 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 1.10 1.55 0.81 0.00 0.00 130 G 8.29 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 0.00 0.00 0.00 0.00 131 A 8.51 4.47 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 0.00 132 P 0.00 4.26 0.00 2.04 2.13 0.00 3.67 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 2.02 2.11 0.00 133 I 7.78 3.76 1.86 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 1.27 1.28 0.90 0.00 0.00 134 K 8.98 3.78 0.00 1.77 1.76 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.04 7.81 135 G 7.95 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 0.00 136 L 7.37 4.47 0.00 1.65 1.61 0.91 1.15 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 0.00 137 E 7.64 4.99 0.00 2.00 1.82 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 2.14 2.21 0.00 138 H 8.04 5.10 0.00 3.28 3.45 0.00 5.46 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.76 4.59 0.00 2.01 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 0.00 2.37 2.36 0.00 140 T 8.34 4.87 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 1.12 0.00 0.00 141 F 8.55 5.23 0.00 3.13 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 0.00 142 G 8.41 4.76 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 0.00 143 V 8.90 5.00 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 0.85 0.00 0.00 0.99 0.00 0.00 144 G 9.28 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 0.00 145 I 8.56 5.31 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.78 1.21 0.00 0.00 146 N 9.43 5.27 0.00 2.74 2.64 0.00 0.00 6.59 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 0.00 147 H 8.08 3.66 0.00 2.21 1.31 0.00 5.52 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.70 4.07 1.83 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 1.07 0.90 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.