NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.3724 8.3649 120.4267 54.1249 44.2349 178.6697 4 Y 4.1815 7.0819 113.3511 57.3309 39.3886 172.4019 5 R 4.7202 8.2115 121.1662 54.2534 34.6062 174.2332 6 V 5.2682 9.0353 123.2317 60.0547 35.5647 174.2636 7 V 5.1324 8.8908 122.8482 60.1926 33.8891 174.7755 8 F 4.9311 9.7474 124.1126 56.5895 41.1810 174.2044 9 H 5.4645 8.7254 121.2086 54.5287 32.3270 172.6602 10 I 4.6064 8.8738 125.6494 59.0137 41.2407 174.8569 11 D 5.1866 8.4789 126.1040 51.5844 40.0156 174.5882 12 E 4.7925 7.8663 118.2005 55.2880 33.3219 175.3935 13 D 4.9103 8.4180 116.9707 52.3489 40.4787 176.1574 14 D 4.4895 7.9727 120.6011 53.6589 41.0574 175.7658 15 E 4.4410 9.2773 125.0638 59.3085 29.5406 179.2131 16 S 4.1146 8.1651 113.1617 61.8257 62.8170 176.4548 17 R 3.8339 8.2918 122.0736 58.9168 29.8461 178.6775 18 V 3.3697 7.6369 118.0449 66.0322 31.4174 178.1202 19 L 4.0202 8.1966 118.9822 57.4278 41.3732 179.3533 20 L 3.8982 7.8209 120.6506 57.8305 41.9766 178.6194 21 L 3.7808 7.8554 120.2293 58.2182 42.0337 178.7936 22 I 3.5896 7.6023 119.5635 64.5689 37.0079 178.2699 23 S 4.0589 8.2265 113.8765 61.5681 62.1825 175.9452 24 N 4.3327 8.5833 119.5018 56.2094 38.0238 177.5903 25 V 3.3255 7.5623 119.1167 65.9547 31.6674 178.0755 26 R 4.0403 7.6728 116.5799 59.1210 30.2173 178.0754 27 N 4.4672 8.3951 117.2139 56.5183 39.0458 178.0587 28 L 3.9117 7.9890 120.5313 55.2534 42.0423 178.3267 *30 A 4.2743 8.0187 121.6459 51.3682 20.3840 178.1013 31 D 4.5317 8.0695 113.7898 54.9322 41.7696 176.0541 32 L 4.7175 7.4261 118.7436 52.6354 43.6699 175.7908 33 E 4.0733 9.1946 123.9555 59.1409 29.8225 177.1979 34 S 4.8020 8.0303 113.8010 56.3917 65.3790 172.5760 35 V 4.9851 8.3734 125.9176 60.3813 34.4276 173.7651 36 R 4.5849 9.2029 125.0102 54.8748 32.0101 174.7811 37 I 5.3486 8.4345 126.1183 59.6699 41.0817 174.1707 38 E 5.1149 9.5425 124.9237 54.5128 33.8410 174.9426 39 V 4.6808 8.7761 123.6133 61.2448 34.2512 174.2979 40 V 4.8252 9.0456 129.3778 61.3936 32.8257 174.1893 41 A 5.9400 9.1552 130.0816 49.5319 21.8986 174.4761 42 Y 4.8795 7.6111 119.0994 55.9938 42.2494 175.6003 43 S 3.5784 9.3112 113.6861 59.9474 62.5946 173.9846 *45 G 3.9043 7.6445 106.5531 44.5290 0.0000 175.1256 46 V 3.7466 7.9344 113.2111 64.0559 31.2527 178.0325 47 N 4.6189 8.3072 116.0264 56.2180 38.0656 177.0746 48 V 3.8101 7.6551 118.6890 65.0434 31.8324 176.9305 49 L 4.3722 8.1693 117.5254 53.7225 42.1352 176.7426 50 R 4.4916 7.1517 119.4479 55.8027 30.7607 177.7963 51 R 3.8784 8.5180 121.6528 59.4256 30.1587 177.1751 52 D 4.7192 7.9057 114.7699 53.2201 39.7890 176.0043 53 S 4.3448 7.7935 115.1261 58.0459 62.8753 174.9257 54 E 3.9547 8.5047 124.0867 58.4578 29.7201 177.4786 55 Y 4.6067 7.7077 117.3391 57.7892 38.2333 177.0498 56 S 4.1797 7.9747 118.2299 61.6179 62.7864 176.8513 57 G 3.5800 7.9993 108.5570 47.6579 0.0000 175.2011 58 D 4.3720 8.0330 121.2683 56.9480 41.0124 178.9503 59 V 3.1119 8.1379 119.3629 65.7530 31.5248 178.2336 60 S 4.0743 8.4490 114.4461 61.3259 62.4688 175.9799 61 E 3.9051 8.2962 123.0867 59.1334 29.4216 178.9531 62 L 4.4747 7.9959 120.0590 57.4241 41.6144 179.6893 63 T 4.9957 7.5708 117.4457 66.2541 68.1917 176.9456 64 G 3.7235 7.8951 106.3531 47.2747 0.0000 174.7204 65 Q 4.4604 7.6336 118.5158 55.7968 28.7060 177.1348 66 G 4.0848 8.1022 108.8613 44.7436 0.0000 174.1371 67 V 3.9381 8.1696 121.4992 62.5881 32.9729 174.6381 68 R 4.7515 8.5960 128.7958 55.0144 31.5608 174.6619 69 F 5.0628 8.9355 125.6737 56.5001 41.2729 174.5842 70 C 5.3978 9.5582 120.8388 57.9718 31.1740 172.9685 71 A 5.1732 9.0421 125.7852 50.4164 21.7361 175.3011 72 C 4.4602 8.1320 121.9268 58.6776 31.4499 174.4217 73 S 4.1347 9.1925 122.0644 61.7141 61.8296 176.0202 74 N 4.2006 8.0382 118.8087 56.2800 38.6249 176.9679 75 T 3.8782 7.9671 110.5630 65.2427 68.2570 175.3351 76 L 3.8994 7.6778 120.4298 57.8543 41.6943 179.1976 77 R 3.9676 7.5936 118.0399 59.6958 29.8687 178.1611 78 A 3.9784 7.6650 119.4531 55.0461 18.2558 178.7556 79 S 4.8572 8.2688 111.5617 56.7123 64.2699 174.2997 80 G 3.7049 8.8082 112.4255 45.9789 0.0000 172.8355 *82 D 4.4250 7.8373 124.4423 52.6117 40.8152 177.4106 83 G 3.7559 8.4512 106.9044 48.4836 0.0000 175.4431 84 D 4.4327 8.2710 119.0387 56.8344 41.1386 177.1727 85 D 4.5537 8.3554 118.4381 55.6035 41.3469 176.1271 86 L 4.8453 7.1817 119.1946 53.4993 42.7195 176.8319 87 L 4.2476 8.5942 124.6200 54.8713 43.3821 176.1104 88 E 4.0767 8.5856 122.6269 57.9767 29.6340 176.5212 89 G 4.0488 9.1749 110.6594 45.3046 0.0000 173.8392 90 V 4.0604 7.1847 119.8639 62.9169 32.0845 175.6217 91 D 4.9768 9.1891 127.7749 53.0399 43.5984 175.2400 92 V 4.8347 8.2296 119.7044 61.3690 33.6814 175.1260 93 V 4.5412 8.5440 120.8393 59.2508 34.3393 177.1873 94 S 4.0745 8.6687 117.2735 61.2174 63.3319 175.5524 95 S 4.5835 7.6925 114.3653 55.4672 65.8837 174.2672 96 G 3.6081 8.6425 116.5119 48.2576 0.0000 176.1310 97 V 3.6877 7.3480 115.3512 63.5139 31.5334 178.8176 98 G 3.5296 8.1386 105.5886 48.0567 0.0000 175.1440 99 H 4.0565 8.5669 121.4315 58.9448 29.7633 177.3311 100 I 3.5924 7.7429 121.5461 64.3856 36.8622 178.6304 101 V 3.4666 7.9750 119.3293 65.8796 31.3368 178.2957 102 R 3.8022 8.1984 118.2550 59.0954 29.9013 178.9305 103 R 3.3427 7.8903 118.6977 59.4804 30.0441 178.4785 104 Q 4.3668 8.1180 119.3868 58.8945 28.4730 179.2055 105 T 3.9872 7.9504 115.7607 66.1163 68.4812 175.5920 106 E 4.4799 7.8601 118.4201 56.3093 29.7359 177.3056 107 G 4.0824 8.1299 108.0169 44.6075 0.0000 174.2559 108 W 4.5576 8.5750 120.0199 56.4880 30.4870 175.8616 109 A 4.4986 9.2603 125.1848 51.8269 19.8441 175.6629 110 Y 5.2855 8.4957 119.9150 55.8647 41.7005 174.8658 111 I 4.0839 7.8668 126.2672 59.3772 40.8813 174.4035 112 R 4.4540 8.0502 127.4161 53.1767 30.5777 173.6069 113 P 4.4154 0.0000 0.0000 62.3911 31.3334 176.5923 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 3 D 8.36 4.37 0.00 2.59 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 0.00 0.00 0.00 4 Y 7.08 4.18 0.00 3.11 2.76 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 5 R 8.21 4.72 0.00 0.89 0.66 0.00 2.21 0.00 0.00 2.98 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.10 0.00 6 V 9.04 5.27 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 0.92 0.00 0.00 0.60 0.00 0.00 7 V 8.89 5.13 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 0.95 0.00 0.00 1.00 0.00 0.00 8 F 9.75 4.93 0.00 2.94 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 9 H 8.73 5.46 0.00 3.33 3.03 0.00 5.71 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.87 4.61 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.24 0.95 0.00 0.00 11 D 8.48 5.19 0.00 2.46 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 12 E 7.87 4.79 0.00 1.95 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 2.25 2.20 0.00 13 D 8.42 4.91 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 7.97 4.49 0.00 2.98 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 15 E 9.28 4.44 0.00 2.15 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 0.00 2.44 2.39 0.00 16 S 8.17 4.11 0.00 4.08 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 17 R 8.29 3.83 0.00 2.12 2.05 0.00 3.18 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 18 V 7.64 3.37 1.78 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 -0.32 0.00 0.00 0.72 0.00 0.00 19 L 8.20 4.02 0.00 1.72 1.72 1.03 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.82 3.90 0.00 1.91 1.78 0.91 0.54 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 21 L 7.86 3.78 0.00 1.73 1.72 0.63 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.60 3.59 1.98 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 1.39 0.47 0.91 0.00 0.00 23 S 8.23 4.06 0.00 3.86 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 24 N 8.58 4.33 0.00 2.82 3.05 0.00 0.00 6.69 7.72 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 25 V 7.56 3.33 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 0.71 0.00 0.00 0.17 0.00 0.00 26 R 7.67 4.04 0.00 1.95 1.97 0.00 3.23 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 27 N 8.40 4.47 0.00 2.86 2.99 0.00 0.00 6.88 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.99 3.91 0.00 2.09 1.86 0.88 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *30 A 8.02 4.27 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 31 D 8.07 4.53 0.00 2.62 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.43 4.72 0.00 1.81 1.57 0.68 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 33 E 9.19 4.07 0.00 2.01 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 0.00 2.35 2.36 0.00 34 S 8.03 4.80 0.00 3.85 3.68 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 35 V 8.37 4.99 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 0.74 0.00 0.00 0.99 0.00 0.00 36 R 9.20 4.58 0.00 1.71 1.44 0.00 3.00 0.00 0.00 2.95 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 37 I 8.43 5.35 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.96 1.10 0.00 0.00 38 E 9.54 5.11 0.00 1.96 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 2.34 2.60 0.00 39 V 8.78 4.68 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 0.98 0.00 0.00 0.44 0.00 0.00 40 V 9.05 4.83 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 1.10 0.00 0.00 1.02 0.00 0.00 41 A 9.16 5.94 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 42 Y 7.61 4.88 0.00 3.00 3.04 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 43 S 9.31 3.58 0.00 4.25 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 *45 G 7.64 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 46 V 7.93 3.75 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 0.91 0.00 0.00 1.03 0.00 0.00 47 N 8.31 4.62 0.00 2.77 2.93 0.00 0.00 6.81 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 48 V 7.66 3.81 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 0.68 0.00 0.00 0.73 0.00 0.00 49 L 8.17 4.37 0.00 1.76 1.65 1.03 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 50 R 7.15 4.49 0.00 1.94 1.98 0.00 3.15 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 51 R 8.52 3.88 0.00 1.77 1.95 0.00 3.24 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 52 D 7.91 4.72 0.00 2.81 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 53 S 7.79 4.34 0.00 4.11 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 54 E 8.50 3.95 0.00 1.75 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 1.59 1.47 0.00 55 Y 7.71 4.61 0.00 3.04 2.90 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 56 S 7.97 4.18 0.00 4.03 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 57 G 8.00 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 58 D 8.03 4.37 0.00 2.92 2.76 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 59 V 8.14 3.11 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 0.20 0.00 0.00 0.55 0.00 0.00 60 S 8.45 4.07 0.00 4.02 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 61 E 8.30 3.91 0.00 2.10 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 0.00 2.33 2.37 0.00 62 L 8.00 4.47 0.00 2.06 1.89 1.06 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.57 5.00 4.51 0.00 0.00 0.00 0.00 0.00 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 64 G 7.90 3.72 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 0.00 0.00 0.00 65 Q 7.63 4.46 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.37 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 66 G 8.10 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 67 V 8.17 3.94 2.18 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 0.37 0.00 0.00 0.93 0.00 0.00 68 R 8.60 4.75 0.00 2.02 1.83 0.00 3.19 0.00 0.00 3.37 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 69 F 8.94 5.06 0.00 3.08 2.99 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 70 C 9.56 5.40 0.00 2.79 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 71 A 9.04 5.17 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 72 C 8.13 4.46 0.00 3.27 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 73 S 9.19 4.13 0.00 4.08 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 0.00 74 N 8.04 4.20 0.00 2.77 2.81 0.00 0.00 6.87 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.97 3.88 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 1.29 0.00 0.00 76 L 7.68 3.90 0.00 1.83 1.82 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 77 R 7.59 3.97 0.00 2.07 2.12 0.00 3.13 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 78 A 7.66 3.98 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 79 S 8.27 4.86 0.00 3.93 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 80 G 8.81 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 *82 D 7.84 4.43 0.00 2.90 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 83 G 8.45 3.76 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 84 D 8.27 4.43 0.00 3.07 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 85 D 8.36 4.55 0.00 2.82 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 86 L 7.18 4.85 0.00 1.59 1.59 0.94 1.19 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 87 L 8.59 4.25 0.00 1.81 1.47 0.89 0.69 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 88 E 8.59 4.08 0.00 2.02 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 2.27 2.32 0.00 89 G 9.17 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 90 V 7.18 4.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.90 0.00 0.00 91 D 9.19 4.98 0.00 2.64 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 92 V 8.23 4.83 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 0.82 0.00 0.00 0.94 0.00 0.00 93 V 8.54 4.54 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 0.44 0.00 0.00 1.00 0.00 0.00 94 S 8.67 4.07 0.00 3.95 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 95 S 7.69 4.58 0.00 3.80 3.64 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 0.00 0.00 0.00 0.00 96 G 8.64 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.35 3.69 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 0.53 0.00 0.00 0.71 0.00 0.00 98 G 8.14 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 99 H 8.57 4.06 0.00 3.27 3.43 0.00 5.79 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 0.00 100 I 7.74 3.59 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.81 0.85 0.00 0.00 101 V 7.98 3.47 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 1.04 0.00 0.00 0.89 0.00 0.00 102 R 8.20 3.80 0.00 1.84 1.99 0.00 3.14 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 103 R 7.89 3.34 0.00 1.62 1.60 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.50 0.00 104 Q 8.12 4.37 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 105 T 7.95 3.99 4.39 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 1.20 0.00 0.00 106 E 7.86 4.48 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 107 G 8.13 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 0.00 108 W 8.58 4.56 0.00 3.28 3.22 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 0.00 109 A 9.26 4.50 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 0.00 110 Y 8.50 5.29 0.00 2.85 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 0.00 111 I 7.87 4.08 0.63 0.00 0.00 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 0.62 0.20 0.70 0.00 0.00 112 R 8.05 4.45 0.00 1.19 1.60 0.00 3.32 0.00 0.00 3.09 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.45 0.00 113 P 0.00 4.42 0.00 2.09 1.99 0.00 3.92 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 2.22 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.