NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.0425 8.1849 122.4297 54.4715 43.9215 177.5463 3 W 4.6552 7.0735 117.3594 56.4458 29.4761 174.3159 4 K 4.5988 10.0977 121.8662 56.0633 34.6184 176.2577 5 K 4.6463 8.0075 117.5835 54.6240 34.0148 175.8147 6 T 4.1895 8.3025 117.1031 61.8239 68.1122 173.5599 7 F 4.7833 7.4000 120.7332 55.2038 40.4406 173.6402 8 T 4.6021 7.9845 110.8972 59.1623 72.9770 174.8549 9 L 4.0444 8.5669 122.4169 57.8249 41.6761 179.3873 10 E 3.9207 8.1748 118.8679 59.5939 29.5765 178.6130 11 N 4.3796 8.2832 116.3371 56.1999 38.5740 177.5202 12 L 3.9267 7.9575 120.5730 57.8671 41.4868 179.3032 13 N 4.3935 8.1376 115.4492 55.9105 38.6793 177.1116 14 Q 4.0584 7.9680 121.4210 59.0969 28.9837 177.8038 15 L 3.9543 7.9880 120.4711 58.1577 42.1686 177.9045 16 C 4.3866 7.6487 113.8142 59.1065 28.7003 174.1833 17 S 4.1424 7.2272 116.0201 59.0878 63.4749 173.2765 18 N 4.1032 8.7046 118.1271 54.2610 37.1887 172.1824 19 S 4.5488 7.8318 110.7804 56.0382 66.7580 174.6151 20 A 4.0373 8.5588 120.6078 55.1743 17.8003 179.9375 21 V 3.4843 7.6036 116.8638 66.3613 31.6470 178.5454 22 S 4.1700 7.9815 113.4731 61.5677 62.7724 175.5656 23 H 4.1536 8.1713 121.0967 58.3424 29.5952 176.1585 24 L 4.4648 7.5238 118.2742 53.6195 41.7056 176.8461 25 G 3.8971 7.8879 106.7005 46.2723 0.0000 173.9890 26 I 4.2753 7.5650 120.3468 60.8089 38.0062 175.2801 27 E 4.7511 9.0597 126.9588 54.2518 32.8394 174.5892 28 I 4.3481 9.1088 128.9136 61.4759 36.6933 175.8520 29 S 4.4499 8.6693 122.8335 59.7435 64.2393 174.1044 30 A 4.6009 7.6844 121.0732 51.8042 21.5261 174.4687 31 F 4.6147 8.0108 113.1663 55.4313 40.7375 174.4068 32 G 3.4719 6.7384 111.9015 43.7836 0.0000 172.3908 33 E 4.3162 8.8489 117.9049 58.9811 29.6264 177.2095 34 D 4.6189 7.8469 116.8466 51.8064 40.3625 174.6163 35 W 5.8295 8.0059 114.4620 56.8919 31.6296 172.7624 36 I 5.2771 9.2082 120.1843 59.8990 41.4638 173.4780 37 E 5.9800 10.1557 126.5954 53.7653 33.8522 174.6496 38 A 5.2441 8.4504 121.9851 50.9164 23.1452 175.6540 39 T 5.4459 9.0069 112.3004 58.5635 72.2363 171.3266 *41 P 4.2928 0.0000 0.0000 63.2857 32.6344 176.9226 42 V 4.2526 8.4198 122.3688 61.8618 31.3971 174.1393 43 D 4.7308 8.5686 127.8883 52.4483 42.1192 175.2802 44 H 4.0884 9.2696 112.6754 59.0788 28.3786 176.5535 45 R 3.9527 8.0830 118.8619 57.9829 30.6586 176.6102 46 T 4.4578 7.7527 108.1661 60.6539 68.6895 172.7165 *48 Q 4.1372 7.5603 119.8202 55.5866 30.2847 175.1613 49 P 4.1109 0.0000 0.0000 65.5390 31.3237 177.4769 50 F 4.6194 6.4512 111.2836 56.8857 37.7691 176.2579 51 G 3.9638 8.0640 108.0986 45.8642 0.0000 173.8976 52 V 4.7412 7.2131 110.8332 58.4840 35.4121 175.1813 53 L 3.9022 8.9075 124.9126 56.2559 42.7598 176.2349 54 H 4.2021 9.3668 127.0510 55.7396 30.3685 176.0376 55 G 3.5798 9.0124 113.6773 48.0179 0.0000 175.2399 56 G 3.7454 8.2205 107.3199 47.5743 0.0000 175.8022 57 V 3.7078 7.8499 120.2139 65.5747 31.4029 178.3851 58 S 4.1619 7.9327 114.8974 61.5033 62.7569 176.5198 59 V 3.5924 7.8258 120.3346 65.7627 31.2431 177.8750 60 A 3.9872 7.8114 120.2084 55.0696 18.2461 179.3573 61 L 3.8672 8.0651 118.5322 58.1217 42.1519 178.9848 62 A 3.9895 8.1503 120.9004 55.3293 18.3554 179.2576 63 E 3.8732 8.7104 118.1086 59.5737 29.6125 179.0175 64 T 3.7717 7.9738 115.8540 66.8074 68.5427 176.4815 65 I 3.7284 7.9273 120.4971 63.8744 38.0238 178.2564 66 G 3.3036 8.1812 106.8613 47.7191 0.0000 176.0040 67 S 3.9915 8.0726 117.6451 60.9356 62.7927 176.5450 68 L 3.7060 7.7053 122.8942 57.9256 41.6262 178.6769 69 A 3.8318 7.4395 119.5816 55.1156 18.5351 179.4643 70 G 3.8419 7.1847 104.1941 48.0542 0.0000 176.0829 71 S 4.2327 7.9008 116.5738 60.9874 63.0840 176.1749 72 L 4.2326 7.9941 121.5629 56.4260 41.1105 177.7983 73 C 4.7314 7.7684 115.1981 58.7645 28.6850 172.9596 74 L 4.8914 7.0131 120.0838 52.4178 44.2738 176.1990 75 E 4.2508 8.4057 119.8917 55.9805 30.1603 176.7247 76 E 3.9840 8.3759 119.9761 57.8103 30.1439 178.0507 77 G 4.0264 9.2063 108.9324 45.1323 0.0000 173.0141 78 K 5.1322 7.3618 117.5419 55.3786 36.2736 175.4853 79 T 4.5803 8.4927 115.2806 61.7247 71.0061 172.2195 80 V 5.0868 8.3105 113.5112 59.6172 35.6549 175.5200 81 V 4.3932 8.6503 121.5911 60.8927 34.7014 174.8300 82 G 3.9381 8.8234 115.4311 46.7724 0.0000 172.7733 83 L 4.6864 8.9497 126.4966 56.5051 42.6986 176.5595 84 D 4.7617 7.7856 115.7173 52.8076 42.5605 173.5464 85 I 5.1259 8.0326 118.3955 60.0428 41.2841 172.9988 86 N 5.2695 8.8844 123.7363 51.7205 41.2445 172.6951 87 A 4.9424 8.1354 118.1728 51.2768 22.4611 175.3058 88 N 4.8921 8.8475 117.5564 51.7043 41.8703 173.4254 89 H 4.9538 8.6976 120.9461 55.0127 29.1868 174.9839 90 L 4.5231 8.9041 124.7832 56.6319 42.5512 177.4267 91 R 4.5874 7.5670 111.7365 54.2243 31.7479 172.6850 92 P 4.4895 0.0000 0.0000 62.5633 32.4084 175.7814 93 V 4.4057 8.2301 119.0685 61.3879 33.7916 176.0031 94 R 4.7072 8.5631 124.7841 56.5153 31.7503 175.3163 95 S 4.4500 7.9027 110.3464 58.2290 66.1159 174.7129 96 G 4.2316 8.4828 106.4395 45.6120 0.0000 172.4266 97 K 4.8807 8.3908 117.7967 54.6545 35.6432 175.6033 98 V 4.6483 8.0268 113.7055 60.1184 35.0055 174.7695 99 T 5.0398 8.9324 119.2692 61.8353 71.8187 172.7471 100 A 5.1032 9.0533 128.9260 50.2594 21.5748 175.2284 101 R 5.1894 9.1131 123.5186 54.5107 32.8422 174.2865 102 A 5.5609 9.3520 129.1027 50.7289 21.2449 175.6877 103 T 5.3478 9.3180 112.6908 59.1415 72.5243 171.7654 104 P 3.3923 0.0000 0.0000 62.9377 31.6908 175.5673 105 I 4.1555 7.9574 123.1809 62.7996 38.9427 175.9690 106 N 4.6488 7.4222 118.9950 52.3423 42.4451 172.9297 107 L 4.7930 8.6067 126.3126 53.2718 43.4415 176.0381 108 G 4.0800 8.6049 113.8445 43.4099 0.0000 172.5454 109 R 4.0992 8.5051 117.4021 58.3507 30.3067 177.7208 110 N 4.9599 8.1633 113.1762 53.0355 41.0812 174.0041 111 I 5.2171 7.4867 117.7043 59.5222 41.8154 174.3179 112 Q 5.0732 9.2613 124.0592 54.1024 32.8390 174.5769 113 V 4.9327 8.8656 122.2727 61.0201 34.4899 174.3127 114 W 5.0295 9.6369 127.5585 54.8793 32.9883 174.0399 115 Q 5.0837 9.2457 124.3669 54.6167 31.0168 174.3608 116 I 5.1135 9.0493 126.6759 59.8856 40.8894 173.8303 117 D 5.3596 8.9067 127.3114 52.4985 43.6746 175.4019 118 I 4.9750 8.8834 124.1913 59.6733 39.7547 175.0232 119 R 5.2642 8.9951 125.6900 54.4979 34.2305 175.8333 120 T 4.5353 8.6885 112.6094 60.2692 70.6872 175.5291 121 E 4.0082 8.5714 118.2022 58.7442 29.6309 177.8682 122 E 4.3089 8.1030 117.5115 55.8356 29.6798 175.5975 123 N 4.3073 8.1969 115.3771 54.1722 36.6892 173.9646 124 K 4.4157 7.6589 117.4030 54.5784 33.5275 176.0448 125 L 4.5162 8.4812 125.7741 55.3122 42.4035 175.8857 126 C 4.8010 9.0484 120.8417 58.6333 32.2056 173.1012 127 C 5.1823 7.7532 118.7541 58.3837 34.8818 172.6792 128 V 4.9479 8.5364 118.0914 59.7311 34.8214 174.6500 129 S 5.1255 9.2225 118.4902 56.7218 66.7109 172.3832 130 R 5.1581 8.8756 123.8761 54.4470 33.4928 173.5477 131 L 5.2542 9.2353 127.8228 53.5901 45.4312 174.8203 132 T 5.1776 8.9356 122.5551 61.8732 71.0088 173.3547 133 L 5.2856 9.3680 126.0014 52.9737 45.8071 175.1719 134 S 5.0906 9.0010 116.8164 56.7138 64.6515 172.9299 135 V 4.6372 8.4959 127.7331 61.9419 32.3738 175.0853 136 I 4.7097 8.9382 121.1016 59.1694 40.9300 174.0571 137 N 5.2315 8.5203 121.2357 51.8881 39.4377 175.8627 138 L 4.0928 8.6139 125.2378 56.5838 42.3394 177.5312 139 L 4.1678 7.3921 124.5204 55.0715 41.9979 175.8780 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 L 8.18 4.04 0.00 1.18 0.62 0.70 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 3 W 7.07 4.66 0.00 3.57 3.30 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 4 K 10.10 4.60 0.00 1.83 1.89 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.43 7.81 5 K 8.01 4.65 0.00 1.82 1.78 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.71 7.81 6 T 8.30 4.19 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 1.21 0.00 0.00 7 F 7.40 4.78 0.00 2.91 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 8 T 7.98 4.60 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 1.15 0.00 0.00 9 L 8.57 4.04 0.00 1.78 1.82 1.08 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.17 3.92 0.00 2.04 1.95 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 2.38 2.41 0.00 11 N 8.28 4.38 0.00 2.95 2.84 0.00 0.00 7.11 6.30 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 12 L 7.96 3.93 0.00 1.77 1.58 0.38 0.47 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 13 N 8.14 4.39 0.00 2.82 2.87 0.00 0.00 7.02 7.24 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 14 Q 7.97 4.06 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 15 L 7.99 3.95 0.00 1.65 1.92 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 16 C 7.65 4.39 0.00 2.98 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 17 S 7.23 4.14 0.00 3.98 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 18 N 8.70 4.10 0.00 2.78 2.84 0.00 0.00 6.80 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.83 4.55 0.00 4.00 3.91 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 20 A 8.56 4.04 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 21 V 7.60 3.48 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 1.01 0.00 0.00 0.90 0.00 0.00 22 S 7.98 4.17 0.00 4.08 4.10 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 0.00 0.00 0.00 0.00 23 H 8.17 4.15 0.00 3.26 3.53 0.00 5.93 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.52 4.46 0.00 1.60 1.64 0.90 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.89 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.57 4.28 2.00 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 0.56 0.93 0.00 0.00 27 E 9.06 4.75 0.00 1.99 1.75 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 2.20 2.25 0.00 28 I 9.11 4.35 1.84 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 1.40 0.82 0.87 0.00 0.00 29 S 8.67 4.45 0.00 4.06 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 30 A 7.68 4.60 1.53 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 31 F 8.01 4.61 0.00 2.97 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 6.74 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.85 4.32 0.00 2.02 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 0.00 2.37 2.34 0.00 34 D 7.85 4.62 0.00 2.65 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 35 W 8.01 5.83 0.00 3.62 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 36 I 9.21 5.28 1.72 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.72 0.94 0.00 0.00 37 E 10.16 5.98 0.00 2.13 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 2.39 2.67 0.00 38 A 8.45 5.24 1.18 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 39 T 9.01 5.45 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 1.24 0.00 0.00 *41 P 0.00 4.29 0.00 2.25 2.13 0.00 3.84 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 1.85 1.95 0.00 42 V 8.42 4.25 2.17 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 0.85 0.00 0.00 0.96 0.00 0.00 43 D 8.57 4.73 0.00 2.85 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 44 H 9.27 4.09 0.00 3.27 3.47 0.00 5.52 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.08 3.95 0.00 1.79 1.87 0.00 3.11 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.04 0.00 46 T 7.75 4.46 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 *48 Q 7.56 4.14 0.00 1.35 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 6.91 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 49 P 0.00 4.11 0.00 1.95 2.06 0.00 3.01 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 50 F 6.45 4.62 0.00 3.12 3.16 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 0.00 0.00 0.00 0.00 51 G 8.06 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 0.00 0.00 0.00 52 V 7.21 4.74 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 0.83 0.00 0.00 1.22 0.00 0.00 53 L 8.91 3.90 0.00 1.59 1.61 0.94 1.16 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 54 H 9.37 4.20 0.00 3.20 3.17 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 9.01 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.22 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.85 3.71 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.78 0.00 0.00 58 S 7.93 4.16 0.00 4.14 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 59 V 7.83 3.59 2.28 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 0.91 0.00 0.00 1.08 0.00 0.00 60 A 7.81 3.99 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 61 L 8.07 3.87 0.00 1.78 1.89 0.92 0.81 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 62 A 8.15 3.99 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 63 E 8.71 3.87 0.00 1.99 1.95 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 2.28 2.33 0.00 64 T 7.97 3.77 4.38 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 1.15 0.00 0.00 65 I 7.93 3.73 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.42 1.01 0.00 0.00 66 G 8.18 3.30 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 0.00 67 S 8.07 3.99 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 68 L 7.71 3.71 0.00 1.68 1.58 0.69 0.96 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 69 A 7.44 3.83 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.18 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 71 S 7.90 4.23 0.00 4.06 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 72 L 7.99 4.23 0.00 1.85 1.65 -0.54 0.59 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 73 C 7.77 4.73 0.00 3.45 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 74 L 7.01 4.89 0.00 1.80 1.59 0.97 0.78 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 75 E 8.41 4.25 0.00 2.05 1.90 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 2.43 2.36 0.00 76 E 8.38 3.98 0.00 1.97 1.90 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 2.34 2.27 0.00 77 G 9.21 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 78 K 7.36 5.13 0.00 1.75 1.69 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.36 7.81 79 T 8.49 4.58 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 1.21 0.00 0.00 80 V 8.31 5.09 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 0.80 0.00 0.00 0.91 0.00 0.00 81 V 8.65 4.39 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 1.02 0.00 0.00 0.93 0.00 0.00 82 G 8.82 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 83 L 8.95 4.69 0.00 1.76 1.74 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.79 4.76 0.00 2.77 2.73 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 0.00 0.00 0.00 85 I 8.03 5.13 1.90 0.00 0.00 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 1.42 0.93 1.00 0.00 0.00 86 N 8.88 5.27 0.00 2.84 2.85 0.00 0.00 6.77 8.02 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 87 A 8.14 4.94 1.17 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 0.00 0.00 88 N 8.85 4.89 0.00 2.68 2.68 0.00 0.00 7.11 7.68 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 89 H 8.70 4.95 0.00 3.06 3.26 0.00 5.71 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.90 4.52 0.00 1.53 1.73 0.93 1.16 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 91 R 7.57 4.59 0.00 1.88 1.86 0.00 3.04 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 92 P 0.00 4.49 0.00 2.24 2.12 0.00 3.71 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 2.00 1.96 0.00 93 V 8.23 4.41 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 1.04 0.00 0.00 0.95 0.00 0.00 94 R 8.56 4.71 0.00 1.83 1.95 0.00 3.31 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 95 S 7.90 4.45 0.00 3.94 3.82 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 96 G 8.48 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 0.00 0.00 0.00 0.00 97 K 8.39 4.88 0.00 1.72 1.69 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.41 7.81 98 V 8.03 4.65 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 0.93 0.00 0.00 0.94 0.00 0.00 99 T 8.93 5.04 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 1.24 0.00 0.00 100 A 9.05 5.10 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 0.00 101 R 9.11 5.19 0.00 2.00 1.79 0.00 2.90 0.00 0.00 2.96 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 102 A 9.35 5.56 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 0.00 103 T 9.32 5.35 4.35 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 1.43 0.00 0.00 104 P 0.00 3.39 0.00 1.46 0.64 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 105 I 7.96 4.16 1.92 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 0.56 0.85 0.00 0.00 106 N 7.42 4.65 0.00 2.64 2.52 0.00 0.00 6.95 6.66 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 0.00 107 L 8.61 4.79 0.00 1.44 1.55 0.80 0.65 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 0.00 108 G 8.60 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 0.00 109 R 8.51 4.10 0.00 1.80 2.01 0.00 3.21 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 110 N 8.16 4.96 0.00 2.72 2.82 0.00 0.00 6.91 7.37 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 0.00 111 I 7.49 5.22 1.88 0.00 0.00 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 1.36 1.06 0.98 0.00 0.00 112 Q 9.26 5.07 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 113 V 8.87 4.93 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 1.08 0.00 0.00 0.93 0.00 0.00 114 W 9.64 5.03 0.00 3.29 3.16 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 0.00 0.00 0.00 0.00 115 Q 9.25 5.08 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 116 I 9.05 5.11 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.62 0.97 0.00 0.00 117 D 8.91 5.36 0.00 2.63 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 0.00 118 I 8.88 4.97 1.90 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 1.26 0.83 0.97 0.00 0.00 119 R 9.00 5.26 0.00 1.69 1.77 0.00 3.07 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 120 T 8.69 4.54 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 1.28 0.00 0.00 121 E 8.57 4.01 0.00 2.17 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 0.00 2.36 2.34 0.00 122 E 8.10 4.31 0.00 1.97 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 2.27 2.26 0.00 123 N 8.20 4.31 0.00 2.84 2.91 0.00 0.00 6.86 7.23 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 0.00 124 K 7.66 4.42 0.00 1.85 1.71 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.36 7.81 125 L 8.48 4.52 0.00 1.58 1.59 0.96 0.91 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 0.00 126 C 9.05 4.80 0.00 3.16 3.14 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 0.00 127 C 7.75 5.18 0.00 3.05 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 0.00 128 V 8.54 4.95 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 0.65 0.00 0.00 0.94 0.00 0.00 129 S 9.22 5.13 0.00 3.85 3.79 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 0.00 130 R 8.88 5.16 0.00 1.95 1.73 0.00 3.10 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 131 L 9.24 5.25 0.00 1.82 1.59 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 132 T 8.94 5.18 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 1.25 0.00 0.00 133 L 9.37 5.29 0.00 1.64 1.59 1.00 0.63 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 0.00 134 S 9.00 5.09 0.00 3.88 3.71 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 0.00 135 V 8.50 4.64 2.22 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 0.86 0.00 0.00 0.99 0.00 0.00 136 I 8.94 4.71 1.88 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 1.36 0.78 0.92 0.00 0.00 137 N 8.52 5.23 0.00 2.67 2.80 0.00 0.00 6.98 6.74 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 0.00 138 L 8.61 4.09 0.00 1.55 1.74 0.92 1.03 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 0.00 139 L 7.39 4.17 0.00 1.62 1.54 0.92 0.85 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 * Residues marked with a * may have inaccurate shift predictions.