NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7828 8.2133 109.7365 45.6853 0.0000 175.4762 *2 D 4.4165 8.9419 124.0512 53.1988 42.2651 175.1313 3 D 4.6823 7.8922 121.2531 52.3434 41.7705 176.9606 4 L 3.9283 8.3042 120.3748 58.7363 42.0125 178.8957 5 T 3.8874 7.8957 115.1633 66.5114 68.3978 176.0849 6 N 4.2978 8.8196 119.3624 56.6580 38.9540 176.9778 7 L 3.9671 8.3255 120.5992 57.7202 41.6564 179.3289 8 A 3.9848 8.2021 120.5268 55.0568 18.3688 179.5987 9 A 3.9340 8.0132 119.2590 55.4412 18.5967 180.1497 10 R 3.8855 8.1624 116.7099 59.1734 30.0451 179.0683 11 L 3.9336 8.3224 120.6515 58.1100 42.0219 178.8914 12 R 4.1690 8.1283 120.1088 58.7878 29.9725 178.2265 13 L 3.9532 7.8871 119.8892 58.1289 42.0955 178.9243 14 L 3.9405 7.8151 118.6838 57.8497 41.0507 179.3454 15 E 3.9440 8.5546 118.8818 59.3922 29.3875 179.0960 16 D 4.3660 8.3934 119.1612 57.5662 40.9046 179.1937 17 R 3.5547 7.7263 118.3877 59.0799 29.9873 178.8281 18 E 3.7805 8.1752 119.2091 58.9578 29.6105 178.4632 19 E 3.8174 8.1920 119.6525 59.2016 29.7883 178.9203 20 I 3.0213 7.2099 119.7492 64.1602 36.9335 178.6190 21 R 3.6365 7.6748 118.9455 59.0725 29.8177 178.7541 22 E 3.7996 8.1317 119.1502 58.9890 29.3695 178.7217 23 L 3.8819 7.4484 118.0627 58.0217 42.0334 179.3338 24 I 3.2523 7.1790 119.0370 64.1272 36.7156 178.4459 25 A 4.0546 7.8872 120.5760 54.7720 18.4642 179.4211 26 R 4.0749 7.9560 116.4490 58.4906 30.0810 178.1721 27 Y 4.1449 7.9202 119.8107 60.7264 38.7850 178.5114 28 G 3.8379 8.1679 107.1169 46.9700 0.0000 173.4593 29 P 4.2794 0.0000 0.0000 65.3364 31.2830 178.7069 30 L 3.9621 7.9823 117.3892 57.5463 41.5231 179.4512 31 A 3.7995 8.0076 121.0747 55.3383 18.1235 179.5204 32 D 4.4996 8.4130 116.5431 56.6249 40.9928 178.0853 33 S 4.6014 7.9138 112.6543 57.6140 63.5258 174.5980 34 G 3.8709 7.7024 110.2968 47.2970 0.0000 175.2825 35 D 4.6080 8.0101 121.0027 52.2939 38.3167 176.0176 36 A 3.9635 7.8472 125.9594 54.6538 19.0174 178.7139 37 E 3.8496 8.1642 116.9858 59.5683 29.6404 178.7576 38 A 4.2009 7.8978 118.9183 54.9984 18.6892 178.9681 39 L 4.1885 8.2078 119.2288 58.4693 42.2121 179.4548 40 S 4.3443 8.4221 114.1957 61.3791 62.6741 175.5107 41 E 4.4126 8.0007 119.4258 57.2995 29.5800 178.3392 42 L 4.2220 8.3553 120.5030 55.9889 41.6316 176.9225 43 W 5.1976 7.7511 117.8633 54.8157 30.9083 176.4440 44 V 3.9317 8.5701 114.5256 61.3325 31.9642 177.2566 45 E 3.9869 9.0326 122.2898 59.1892 29.4151 178.0577 46 D 4.7016 7.9224 115.9255 52.9898 40.2999 176.5486 47 G 4.1337 8.0850 107.0443 47.5345 0.0000 173.0831 48 E 5.2464 9.3369 119.1612 54.4557 34.2971 174.7369 49 Y 5.1882 8.8954 122.7554 56.1238 41.9330 173.6315 50 A 5.1141 9.3439 129.5432 50.0860 22.1277 175.1501 51 V 4.7593 8.0133 120.8131 60.5247 35.1140 175.0084 52 V 3.7870 8.1873 127.2818 64.8773 31.6623 176.1304 53 G 3.8869 9.1199 114.1568 45.6162 0.0000 172.6737 54 F 4.6793 8.0069 116.5332 54.5523 42.3306 174.9988 55 A 4.1007 8.4890 125.6619 52.7365 18.7399 177.6669 56 T 4.2670 8.3315 118.8818 63.3692 69.6083 174.1280 57 A 4.2873 8.6993 128.5866 51.2204 19.8399 176.2558 58 K 4.6402 8.8668 122.3755 56.3323 34.4326 177.6647 59 G 4.0518 9.3703 110.7540 45.7190 0.0000 174.3116 60 R 3.8516 8.4854 119.0827 59.0300 29.9793 179.4809 61 A 3.9683 7.9750 119.8409 55.1556 18.2114 179.4241 62 A 3.9099 7.7861 117.7599 55.1799 18.9129 179.5319 63 I 3.6208 7.7009 118.1792 64.3925 37.1711 178.4107 64 A 3.9835 8.3325 121.8292 55.2277 18.0485 179.5665 65 A 4.0038 8.1173 119.0136 54.8993 18.1107 179.8577 66 L 3.8993 7.3706 116.8139 58.1505 41.7621 178.8548 67 I 3.7720 7.5429 117.9401 64.0818 37.3401 176.7721 68 D 4.5512 8.1234 118.2229 55.3518 41.1792 177.0710 69 G 3.8331 7.5938 109.2838 44.9897 0.0000 174.7389 70 Q 3.9527 8.6497 121.4361 59.2242 29.1075 178.8568 71 T 3.8813 7.8301 116.3737 66.9109 68.4181 176.1160 72 H 4.2039 8.1316 118.3936 59.3510 30.0857 177.0101 73 R 4.0351 8.0951 118.8143 59.1534 30.1613 178.6162 74 A 4.1939 8.0458 120.7287 54.7328 18.3693 180.0146 75 L 4.0530 7.7714 116.8832 55.5936 41.8549 178.6042 *77 A 4.3095 7.9716 121.7862 51.7844 20.4701 178.7610 78 D 4.3039 8.1451 115.0512 56.3324 41.1392 177.6983 79 G 4.1182 8.9924 108.4405 45.8315 0.0000 172.0471 80 C 5.5046 8.3673 118.2737 56.6003 33.2906 173.2025 81 A 4.9814 9.0961 121.5218 50.8013 21.9097 174.9811 82 H 4.9364 10.2073 121.3742 54.7104 29.8668 174.1946 83 F 4.9349 9.5556 128.0891 56.8615 40.3420 174.1211 84 L 5.2209 8.6653 126.7536 53.3418 43.2007 177.3264 85 G 4.1833 8.9556 111.7504 44.4535 0.0000 171.4737 86 P 4.3536 0.0000 0.0000 62.9119 31.7479 175.9431 87 A 4.9026 8.1703 123.5842 50.6789 21.1854 176.2687 88 T 4.2357 8.3949 115.9830 61.4941 68.9111 173.7479 89 V 4.8843 8.2226 127.2670 61.3522 34.7660 174.4519 90 T 4.5542 8.8670 123.8106 61.7877 71.5314 172.8796 91 V 4.5063 8.3785 126.5453 61.4752 33.4644 175.5288 92 E 4.5651 9.1753 127.1462 54.9048 32.2549 178.4519 93 G 3.8771 8.8889 117.8588 46.9566 0.0000 172.1787 94 D 4.7141 9.2552 123.8668 53.7960 41.6942 174.9396 95 T 5.6199 7.9561 109.7368 60.3845 72.6585 172.3742 96 A 5.2165 8.8459 121.8145 51.4230 23.1637 175.2885 97 T 5.4000 8.9988 108.5711 60.1801 72.7493 172.7891 98 A 5.2357 9.3564 123.2596 50.6326 23.3383 175.2719 99 R 5.3645 8.6639 118.3022 54.8665 34.3141 174.5179 100 C 4.8657 8.7894 115.8331 58.1112 33.6322 172.3214 101 H 5.5030 8.7376 116.2207 54.6913 30.9542 174.5161 102 S 5.2677 9.1171 114.6565 56.7737 66.7476 172.8969 103 V 4.6196 9.0895 122.2492 61.1098 34.5467 174.3164 104 V 4.5712 8.4825 128.3418 61.6645 32.6341 174.6671 105 F 5.0683 9.1270 128.1302 57.0427 40.6354 175.0861 106 R 5.2065 9.1995 122.6347 54.7404 33.6911 173.2864 107 C 4.7959 9.0741 127.1452 58.4792 32.6439 172.9394 108 V 4.2576 8.4513 125.9815 62.1779 33.6198 175.4529 109 S 3.7488 9.7314 123.7630 59.7824 60.2763 173.3096 110 G 3.7954 8.3555 105.0033 45.8028 0.0000 173.4832 111 T 4.4389 7.5847 108.9649 59.4207 71.9275 172.3647 112 F 5.3615 8.5389 119.9905 56.0108 41.5160 175.1749 113 G 4.3123 9.1517 108.2546 45.3623 0.0000 171.8961 114 S 4.6360 8.5391 116.4202 57.1680 62.5756 173.9696 115 H 4.4545 9.2241 126.6355 58.7084 30.3169 175.7733 116 R 4.7320 7.7518 115.1543 54.3781 34.9573 174.3617 117 V 4.7535 8.2590 120.9651 61.4020 34.6636 174.3781 118 S 5.2140 9.2642 122.6848 56.8728 67.9380 173.0663 119 A 4.7998 8.7630 123.7648 51.4050 20.7655 176.2601 120 N 5.4191 9.0460 116.5424 51.5075 43.5011 173.5240 121 R 5.1472 8.8999 122.5897 54.3886 33.1580 174.1236 122 W 5.2250 9.5630 126.3318 54.9915 32.6760 174.6759 123 T 5.1506 8.6414 113.3826 60.1190 71.7707 172.8856 124 F 5.5529 9.2406 120.7444 56.2202 44.2051 173.6712 125 R 5.2492 9.3026 115.9503 54.6314 33.2867 174.0660 126 R 3.4917 8.0563 122.3618 55.8588 30.5781 175.8480 127 T 4.5734 8.0249 115.7344 58.7195 71.5386 173.3300 128 P 4.1047 0.0000 0.0000 64.9178 31.3060 177.3699 129 A 4.3872 7.5410 119.0831 51.4495 19.2870 175.2284 130 G 3.7384 7.7799 103.6480 43.7119 0.0000 173.5240 131 W 4.7803 9.0319 119.5654 57.0584 29.5089 176.6658 132 R 5.0671 9.2068 121.2173 54.2317 34.5949 174.5348 133 A 4.0967 9.1464 124.2714 52.5996 19.2219 177.7495 134 V 4.1132 8.8949 121.1832 64.1235 33.4972 175.5073 135 R 5.2366 7.9172 119.6862 54.5417 33.8673 173.0873 136 R 4.6605 9.0793 125.6725 54.3392 33.1546 173.9215 137 E 5.2511 8.9078 125.0961 54.6223 33.2743 174.4526 138 N 5.8147 9.2525 121.3680 51.4014 43.1098 172.7956 139 A 4.9608 8.2735 124.5550 50.3533 23.0050 175.3936 140 L 4.4007 8.5045 120.3739 54.3747 42.4114 178.4082 141 L 4.3933 8.3995 125.7668 53.7718 40.0646 176.4406 142 D 4.8109 8.0841 114.3950 52.9548 40.2053 178.1441 143 G 4.0159 8.4316 108.9682 45.3814 0.0000 174.6537 144 S 4.1656 8.3833 114.8647 58.4914 63.6003 175.5608 145 A 4.0190 8.6772 124.2372 55.2572 18.1961 179.9927 146 A 3.9514 8.0219 118.7222 55.1589 18.2579 179.5826 147 A 3.9557 7.4658 117.2373 55.4155 18.6588 179.7255 148 R 4.0055 7.5818 116.3038 59.4084 29.9964 179.2081 149 A 4.2800 7.9991 121.8914 54.5441 18.0966 179.6412 150 L 3.9577 7.8648 116.9405 57.9285 41.7565 179.3194 151 L 4.1964 7.5691 118.0208 55.8881 42.3574 177.6654 152 Q 4.1696 7.3292 120.0017 56.4444 29.4985 176.9558 *153 F 4.3228 8.4597 116.6810 56.9865 38.2048 176.3307 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 0 G 8.21 3.78 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 0.00 0.00 0.00 *2 D 8.94 4.42 0.00 2.70 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 3 D 7.89 4.68 0.00 2.96 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 4 L 8.30 3.93 0.00 1.77 1.70 0.92 0.74 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 5 T 7.90 3.89 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 1.21 0.00 0.00 6 N 8.82 4.30 0.00 2.86 3.04 0.00 0.00 7.21 7.11 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 7 L 8.33 3.97 0.00 1.84 1.70 0.92 0.88 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 8 A 8.20 3.98 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 9 A 8.01 3.93 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 10 R 8.16 3.89 0.00 2.06 1.98 0.00 3.13 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 11 L 8.32 3.93 0.00 1.80 1.87 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.13 4.17 0.00 2.05 2.09 0.00 3.22 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.00 13 L 7.89 3.95 0.00 1.84 1.81 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.82 3.94 0.00 1.90 1.66 0.90 0.80 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 15 E 8.55 3.94 0.00 2.16 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 2.32 2.49 0.00 16 D 8.39 4.37 0.00 2.80 2.43 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 17 R 7.73 3.55 0.00 1.86 1.79 0.00 3.03 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 18 E 8.18 3.78 0.00 1.99 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 0.00 2.24 2.28 0.00 19 E 8.19 3.82 0.00 2.21 1.79 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 2.34 2.37 0.00 20 I 7.21 3.02 1.27 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 -0.19 -0.38 0.00 0.00 21 R 7.67 3.64 0.00 1.78 1.81 0.00 2.99 0.00 0.00 2.97 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 22 E 8.13 3.80 0.00 2.06 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 2.25 2.33 0.00 23 L 7.45 3.88 0.00 1.56 1.57 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.18 3.25 1.61 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.53 0.58 0.00 0.00 25 A 7.89 4.05 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 26 R 7.96 4.07 0.00 2.05 2.00 0.00 3.13 0.00 0.00 3.10 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 27 Y 7.92 4.14 0.00 3.34 3.28 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 28 G 8.17 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.28 0.00 2.15 2.11 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 30 L 7.98 3.96 0.00 1.74 1.66 1.01 0.67 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 31 A 8.01 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.41 4.50 0.00 2.75 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 33 S 7.91 4.60 0.00 4.05 3.97 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 34 G 7.70 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 35 D 8.01 4.61 0.00 2.72 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 36 A 7.85 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 37 E 8.16 3.85 0.00 2.06 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 2.50 2.40 0.00 38 A 7.90 4.20 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 39 L 8.21 4.19 0.00 1.78 1.92 0.48 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.42 4.34 0.00 4.20 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 0.00 41 E 8.00 4.41 0.00 2.23 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 2.41 2.54 0.00 42 L 8.36 4.22 0.00 1.95 1.69 1.19 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 43 W 7.75 5.20 0.00 3.60 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 44 V 8.57 3.93 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 0.76 0.00 0.00 1.17 0.00 0.00 45 E 9.03 3.99 0.00 2.08 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 2.40 2.40 0.00 46 D 7.92 4.70 0.00 2.83 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 47 G 8.08 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 48 E 9.34 5.25 0.00 1.92 1.80 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 2.20 2.24 0.00 49 Y 8.90 5.19 0.00 2.45 2.44 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 50 A 9.34 5.11 1.23 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 0.00 0.00 0.00 51 V 8.01 4.76 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.40 0.00 0.00 52 V 8.19 3.79 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 0.82 0.00 0.00 0.95 0.00 0.00 53 G 9.12 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 0.00 0.00 0.00 54 F 8.01 4.68 0.00 3.01 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 55 A 8.49 4.10 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 56 T 8.33 4.27 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 1.20 0.00 0.00 57 A 8.70 4.29 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 58 K 8.87 4.64 0.00 1.59 1.70 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.53 7.81 59 G 9.37 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 60 R 8.49 3.85 0.00 1.91 2.02 0.00 3.37 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 61 A 7.97 3.97 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.79 3.91 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 63 I 7.70 3.62 1.58 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.70 0.46 0.00 0.00 64 A 8.33 3.98 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 65 A 8.12 4.00 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 66 L 7.37 3.90 0.00 1.72 1.66 0.70 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.54 3.77 1.94 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 0.87 0.00 0.00 68 D 8.12 4.55 0.00 2.68 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 69 G 7.59 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 70 Q 8.65 3.95 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 71 T 7.83 3.88 4.30 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 0.00 0.00 0.00 1.28 0.00 0.00 72 H 8.13 4.20 0.00 3.19 3.42 0.00 5.93 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.10 4.04 0.00 1.88 1.99 0.00 3.40 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.82 0.00 74 A 8.05 4.19 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 75 L 7.77 4.05 0.00 1.91 1.78 0.82 1.22 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 *77 A 7.97 4.31 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 78 D 8.15 4.30 0.00 2.89 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.99 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 0.00 0.00 0.00 80 C 8.37 5.50 0.00 3.09 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 9.10 4.98 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 82 H 10.21 4.94 0.00 3.33 3.63 0.00 5.80 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 F 9.56 4.93 0.00 3.43 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 84 L 8.67 5.22 0.00 1.69 1.71 1.22 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.96 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 86 P 0.00 4.35 0.00 2.07 2.01 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 87 A 8.17 4.90 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 88 T 8.39 4.24 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 1.27 0.00 0.00 89 V 8.22 4.88 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 0.57 0.00 0.00 0.70 0.00 0.00 90 T 8.87 4.55 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 91 V 8.38 4.51 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 0.88 0.00 0.00 0.61 0.00 0.00 92 E 9.18 4.57 0.00 2.15 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 2.21 2.09 0.00 93 G 8.89 3.88 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 0.00 94 D 9.26 4.71 0.00 2.66 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.96 5.62 4.40 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 1.29 0.00 0.00 96 A 8.85 5.22 1.05 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 97 T 9.00 5.40 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 1.28 0.00 0.00 98 A 9.36 5.24 1.25 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 99 R 8.66 5.36 0.00 1.76 1.80 0.00 3.18 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 100 C 8.79 4.87 0.00 3.06 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 0.00 101 H 8.74 5.50 0.00 3.21 3.28 0.00 5.75 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 0.00 102 S 9.12 5.27 0.00 3.97 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 0.00 103 V 9.09 4.62 1.77 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 -0.02 0.00 0.00 0.78 0.00 0.00 104 V 8.48 4.57 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 0.93 0.00 0.00 0.97 0.00 0.00 105 F 9.13 5.07 0.00 3.12 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 0.00 106 R 9.20 5.21 0.00 1.84 1.76 0.00 2.92 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 107 C 9.07 4.80 0.00 3.06 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 0.00 108 V 8.45 4.26 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 0.94 0.00 0.00 0.94 0.00 0.00 109 S 9.73 3.75 0.00 3.99 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 0.00 110 G 8.36 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 0.00 111 T 7.58 4.44 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 1.17 0.00 0.00 112 F 8.54 5.36 0.00 2.98 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 0.00 113 G 9.15 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 0.00 114 S 8.54 4.64 0.00 3.70 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 0.00 115 H 9.22 4.45 0.00 3.10 3.54 0.00 5.90 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 0.00 116 R 7.75 4.73 0.00 1.73 1.70 0.00 3.12 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.39 0.00 117 V 8.26 4.75 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 1.08 0.00 0.00 0.82 0.00 0.00 118 S 9.26 5.21 0.00 3.76 3.77 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 0.00 119 A 8.76 4.80 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 0.00 120 N 9.05 5.42 0.00 2.86 2.53 0.00 0.00 6.52 7.27 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 0.00 121 R 8.90 5.15 0.00 2.01 1.72 0.00 3.04 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 122 W 9.56 5.22 0.00 3.08 2.34 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 0.00 123 T 8.64 5.15 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 124 F 9.24 5.55 0.00 3.17 3.34 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 0.00 125 R 9.30 5.25 0.00 1.92 2.06 0.00 2.75 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 126 R 8.06 3.49 0.00 0.67 1.31 0.00 2.95 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.68 0.00 127 T 8.02 4.57 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 1.23 0.00 0.00 128 P 0.00 4.10 0.00 2.04 2.13 0.00 3.62 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 129 A 7.54 4.39 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 0.00 130 G 7.78 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 0.00 0.00 0.00 131 W 9.03 4.78 0.00 3.20 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 0.00 132 R 9.21 5.07 0.00 1.79 1.93 0.00 3.50 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 1.78 1.79 0.00 133 A 9.15 4.10 0.44 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 0.00 134 V 8.89 4.11 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 1.05 0.00 0.00 1.03 0.00 0.00 135 R 7.92 5.24 0.00 1.88 1.67 0.00 3.23 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 136 R 9.08 4.66 0.00 0.86 1.09 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.50 0.00 137 E 8.91 5.25 0.00 1.85 1.77 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 2.20 2.18 0.00 138 N 9.25 5.81 0.00 2.87 2.66 0.00 0.00 6.72 8.78 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 0.00 139 A 8.27 4.96 1.23 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 0.00 0.00 0.00 140 L 8.50 4.40 0.00 1.56 1.62 1.00 0.97 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 0.00 141 L 8.40 4.39 0.00 1.62 1.64 0.98 1.07 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 0.00 142 D 8.08 4.81 0.00 2.74 2.70 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 0.00 143 G 8.43 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 0.00 144 S 8.38 4.17 0.00 4.02 4.19 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 0.00 145 A 8.68 4.02 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 0.00 146 A 8.02 3.95 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 0.00 147 A 7.47 3.96 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 0.00 148 R 7.58 4.01 0.00 1.92 2.00 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 149 A 8.00 4.28 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 0.00 150 L 7.86 3.96 0.00 1.81 1.75 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 151 L 7.57 4.20 0.00 1.71 1.72 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 7.33 4.17 0.00 2.19 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.86 0.00 0.00 0.00 0.00 0.00 2.57 2.31 0.00 *153 F 8.46 4.32 0.00 2.32 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.