NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 A 4.2608 8.2649 123.5818 52.3203 20.0804 175.4451 17 N 4.8014 7.9704 116.4157 50.5890 42.3235 173.6374 18 R 3.8518 8.8664 121.5567 60.2875 30.4590 178.2646 19 A 4.0852 7.9843 119.8233 54.9749 18.5133 179.6333 20 G 3.5009 7.9780 103.7408 48.0368 0.0000 175.4970 21 R 3.9151 8.2474 122.2556 59.3624 30.0367 178.5997 22 Q 3.9806 8.2714 117.3626 58.5801 28.6184 178.5482 23 A 3.9814 7.9471 121.8050 55.2665 18.4890 179.7379 24 R 3.8876 8.0592 116.5573 59.5602 30.0697 179.3438 25 I 3.6947 7.8435 119.5121 64.3180 36.8717 178.5706 26 V 3.5718 7.6396 117.6717 65.9285 31.4495 177.6082 27 A 4.1468 8.0064 120.4029 55.2644 18.3256 179.5972 28 I 3.6936 8.2557 118.6434 64.6853 37.0060 178.7631 29 L 4.1434 8.2032 118.8831 57.2501 41.4506 179.1053 30 S 4.4010 7.7546 113.7430 59.9381 63.4369 175.0475 31 S 4.5059 8.0659 114.2403 57.9714 63.9317 173.1083 32 A 4.7349 7.7543 122.7723 50.4653 21.6726 175.9239 33 Q 4.3724 8.4015 118.6807 54.3529 28.6179 175.0130 34 V 4.3049 8.0620 122.8885 61.5486 32.1314 176.6066 35 R 4.4865 9.0395 127.0151 57.3567 30.9798 176.9213 36 S 4.8850 7.5675 111.5397 56.3697 66.9176 175.0719 37 Q 3.9346 8.6756 121.2458 58.6693 28.5744 178.2921 38 N 4.2711 8.1570 117.9966 56.8088 39.0051 176.5768 39 E 3.9975 8.1131 119.9264 59.2899 29.5003 179.0723 40 L 3.9195 8.0272 120.2456 58.0559 42.0484 178.8744 41 A 3.9565 8.3400 120.8242 55.0171 18.2623 179.5465 42 A 3.9229 7.8300 118.8669 55.2902 18.1593 179.8048 43 L 3.9773 8.0847 117.5911 58.0150 41.6593 179.8685 44 L 3.9934 8.2286 118.7992 57.6794 41.5594 179.3779 45 A 4.2480 8.6101 122.0320 54.4497 18.0365 179.4776 46 A 4.0872 8.0067 119.0393 54.1503 18.4457 177.8731 47 E 4.5266 7.5813 114.5730 56.2048 30.0441 177.4363 48 G 3.8897 8.2671 108.2771 46.3940 0.0000 174.2792 49 I 4.0728 7.6601 121.9249 60.1374 37.4177 174.7066 50 E 4.7812 8.6975 125.7148 54.6509 30.6504 175.7408 51 V 4.5172 7.9579 116.0697 58.9207 36.1696 175.7541 52 T 4.3896 7.9902 112.0642 60.6531 71.5362 175.4264 53 Q 3.9240 8.5051 120.9317 59.1742 28.9150 177.9039 54 A 3.9745 7.9813 121.2447 55.6373 18.4681 179.5306 55 T 3.8155 7.3990 113.7773 66.8293 68.4139 176.8975 56 L 3.9645 7.8279 120.5336 57.5860 41.5979 179.3421 57 S 4.0395 8.4330 113.5780 61.6254 62.2332 176.6171 58 R 3.9368 7.9776 120.5614 59.2264 29.7043 178.6699 59 D 4.3417 8.6418 119.0115 57.6074 40.8049 179.0698 60 L 3.9543 8.1706 119.5427 57.3602 41.5510 179.2542 61 E 3.9142 8.2348 119.4920 59.4423 29.4489 178.6730 62 E 4.0092 8.1929 117.4611 59.4592 29.5903 179.0953 63 L 4.2213 8.1317 117.9327 55.3757 41.6839 178.0131 64 G 3.8466 7.8571 106.1455 45.8798 0.0000 173.3414 65 A 4.4935 8.1149 121.4101 51.6937 19.0348 178.4310 66 V 4.4515 8.7761 114.6772 59.3141 35.6113 175.4536 67 K 4.1165 8.5222 125.5587 55.5204 31.9171 175.1660 68 L 4.7346 8.8990 130.7374 53.7326 43.9196 175.2875 69 R 4.7749 8.2875 120.2198 55.4154 32.3030 175.4130 70 G 3.9755 8.2739 109.5980 44.3271 0.0000 172.5978 71 A 4.0574 8.4370 122.5372 53.3211 19.2057 177.6097 72 D 4.3547 8.6205 122.1834 55.8799 38.4377 174.4376 73 G 3.9739 8.0647 102.6406 44.8709 0.0000 175.7872 74 G 3.8067 7.8799 106.7209 46.1661 0.0000 174.6422 75 T 4.0522 8.4319 115.7145 63.9171 69.2882 175.6711 76 G 3.9840 8.4811 106.9060 44.7741 0.0000 172.4176 77 I 4.7882 8.1147 112.1321 58.7366 41.1649 174.2877 78 Y 4.7311 8.8475 122.5580 58.3115 38.3769 175.6711 79 V 4.6707 9.1025 116.4577 59.7603 36.6532 174.7982 80 V 4.5663 8.2586 115.9347 58.6629 33.5304 174.2051 81 P 4.2558 0.0000 0.0000 64.4321 32.7611 176.0979 82 E 3.8952 8.2623 120.9657 57.6725 27.9948 176.2407 *89 G 4.1021 8.1820 114.5987 47.1116 0.0000 174.2088 90 V 4.5173 7.8069 125.0595 60.3087 33.7377 173.4834 91 S 4.1521 8.7433 121.0089 59.7845 62.7789 174.3846 92 G 3.9128 9.0974 113.3815 46.2412 0.0000 175.0992 93 G 3.8163 8.2667 108.3569 48.3445 0.0000 176.2621 94 T 4.0523 7.8287 111.8143 63.7615 68.9271 176.1250 95 D 4.1983 7.9006 121.0305 57.0490 41.1334 177.6460 96 R 3.8503 8.2508 118.7869 59.7047 30.3158 177.8940 97 M 4.0933 7.9110 117.2765 58.7196 32.4630 178.0200 98 A 4.0412 8.6300 121.4591 55.0865 18.2393 179.3420 99 R 3.8512 8.0895 116.9219 59.7576 30.3646 178.2986 100 L 4.2220 7.8145 117.4093 56.5172 41.7040 179.1665 101 L 4.0147 7.7560 119.5846 57.5590 41.2931 179.3905 102 G 3.6634 8.0323 104.4035 47.7998 0.0000 175.2249 103 E 4.1468 8.0564 119.3092 58.7933 30.2923 177.8453 104 L 4.3892 8.6310 117.2059 54.4526 43.0605 175.9117 105 L 4.2172 7.7797 121.1064 53.7229 41.4208 176.2387 106 V 3.9467 8.8372 127.8844 65.5842 31.9148 176.0011 107 S 4.8166 7.7041 112.7390 57.5760 66.1029 172.8542 108 T 5.1024 8.1166 109.9609 60.5516 71.9892 171.9848 109 D 4.7058 8.5971 121.1262 54.4411 45.4779 173.0415 110 D 5.1062 8.2917 118.3317 52.9904 42.5796 174.9839 111 S 4.4164 9.5440 111.3202 58.6694 66.9893 174.8198 112 G 3.7412 8.2793 117.4958 47.2369 0.0000 173.6379 113 N 4.8530 8.7911 122.0866 52.3375 37.3890 173.4512 114 L 5.2839 8.1299 119.1370 53.3230 44.8259 175.1747 115 A 4.9705 8.8849 125.3502 50.5013 21.6212 175.9520 116 V 4.6081 9.0013 122.1987 61.2333 33.9013 174.2589 117 L 5.0787 8.7650 128.5444 53.1005 44.3159 175.8024 118 R 5.2236 8.7387 121.8167 54.7053 32.8514 175.1082 119 T 5.5550 8.5724 111.7860 57.8776 73.1644 171.2939 120 P 4.4197 0.0000 0.0000 61.5498 32.7540 174.6290 121 P 4.3933 0.0000 0.0000 64.5185 31.5817 177.3302 122 G 4.0049 8.7903 110.9581 45.5264 0.0000 174.7461 123 A 4.3288 8.0006 120.1926 53.0636 18.6431 179.0066 124 A 3.9135 7.7153 120.2729 55.6756 18.4520 179.6215 125 H 4.0674 8.2302 114.0738 58.8820 28.6636 177.3672 126 Y 4.3396 8.0232 121.0693 60.7683 38.7204 177.6369 127 L 3.7470 7.9792 121.0760 57.9521 42.1112 178.6824 128 A 3.9100 8.2550 121.0666 54.9983 18.2638 179.5087 129 S 4.0167 8.2953 111.6074 61.5836 62.4775 176.3415 130 A 3.9587 7.6657 123.3680 54.9775 17.8224 179.5787 131 I 3.6838 7.7093 117.6581 64.7584 37.6820 177.7805 132 D 4.5644 8.3561 119.9022 57.8384 40.4930 179.4841 133 R 4.0107 8.1906 117.7568 58.8532 29.7875 178.8827 134 A 3.9388 7.8635 119.3358 52.5303 19.1799 176.9688 135 A 3.7189 7.7092 119.1236 52.9928 16.8936 177.7137 136 L 4.1069 7.5149 120.8779 54.5346 42.6419 177.7001 137 P 4.3003 0.0000 0.0000 65.4173 31.6941 177.2393 138 Q 4.2283 8.0202 115.3129 56.0597 28.9884 174.6181 139 V 4.6825 7.3493 119.3219 61.1351 32.4726 175.6770 140 V 3.7578 9.1199 129.7739 64.9164 32.2598 175.7661 141 G 4.1785 7.2359 106.1107 46.4640 0.0000 171.6524 142 T 5.3264 8.4104 108.7247 59.9007 72.2485 173.4866 143 I 4.6461 8.5690 122.8228 59.5726 40.8690 174.1062 144 A 4.9677 8.6358 128.4110 49.1255 20.8253 175.7828 145 G 4.1322 8.9348 111.2657 45.6899 0.0000 174.4173 146 D 4.6655 8.9250 122.7589 55.2311 42.0269 176.6095 147 D 5.0676 7.7978 114.5283 51.7407 41.6759 174.9257 148 T 5.1175 7.8227 114.8491 62.2606 73.1790 172.6050 149 I 4.9264 8.8262 125.7595 59.4918 40.9023 174.3613 150 L 4.8361 8.6806 126.8704 53.4468 43.5395 175.5667 151 V 4.6861 8.6852 124.7379 61.1042 33.8095 174.4556 152 V 4.4721 8.7046 129.0702 61.9019 32.5957 174.8615 153 A 4.7272 8.9918 131.0858 51.5707 19.5960 176.6718 154 R 4.1645 9.0506 123.2481 55.4525 31.2533 176.0043 155 E 4.2878 8.9431 126.4443 56.4981 30.0017 174.8278 156 P 4.7317 0.0000 0.0000 62.6755 31.7923 175.8574 157 T 3.8889 7.6625 116.2493 64.6457 68.9875 174.4314 158 T 4.6475 8.1933 115.6838 60.0806 72.2641 176.0138 159 G 3.6955 8.8254 108.8160 47.9983 0.0000 175.8336 160 A 4.0150 7.9804 122.4534 55.0473 18.4561 179.3513 161 Q 3.8699 8.1266 117.9865 59.2004 29.0643 178.1709 162 L 3.8308 7.8751 119.7990 57.9694 41.6514 179.4098 163 A 4.3354 8.4826 120.8789 55.2839 18.3311 179.9257 164 G 3.5304 8.3496 104.3073 47.9451 0.0000 175.5405 165 M 3.9190 8.3508 120.9310 58.4942 31.9468 178.2507 166 F 4.2318 8.1334 118.1139 60.8233 38.8858 177.5761 167 E 4.1152 8.3835 117.1858 59.4016 29.2993 178.6243 168 N 4.4924 8.1253 116.2002 56.1260 39.1246 176.5565 169 L 4.1811 7.8961 119.1090 56.3122 41.8771 177.0923 170 R 4.1280 7.4104 121.2259 56.7679 30.1548 176.0503 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 16 A 8.26 4.26 1.27 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 0.00 0.00 17 N 7.97 4.80 0.00 2.80 2.76 0.00 0.00 6.42 6.78 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 18 R 8.87 3.85 0.00 1.86 1.93 0.00 3.17 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 19 A 7.98 4.09 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 20 G 7.98 3.50 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 0.00 0.00 0.00 21 R 8.25 3.92 0.00 1.91 2.13 0.00 3.08 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 22 Q 8.27 3.98 0.00 2.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 23 A 7.95 3.98 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 24 R 8.06 3.89 0.00 1.91 2.00 0.00 3.32 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 1.94 1.82 0.00 25 I 7.84 3.69 2.02 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 1.37 0.79 0.87 0.00 0.00 26 V 7.64 3.57 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.98 0.00 0.00 27 A 8.01 4.15 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 28 I 8.26 3.69 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.10 0.92 0.00 0.00 29 L 8.20 4.14 0.00 1.61 1.78 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.75 4.40 0.00 4.01 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 31 S 8.07 4.51 0.00 4.01 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 32 A 7.75 4.73 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 33 Q 8.40 4.37 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 34 V 8.06 4.30 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 1.19 0.00 0.00 0.97 0.00 0.00 35 R 9.04 4.49 0.00 1.98 1.98 0.00 3.30 0.00 0.00 3.50 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 36 S 7.57 4.88 0.00 4.06 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 37 Q 8.68 3.93 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.93 0.00 0.00 0.00 0.00 0.00 2.16 2.39 0.00 38 N 8.16 4.27 0.00 2.84 2.83 0.00 0.00 7.25 7.65 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 39 E 8.11 4.00 0.00 2.29 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 2.34 2.34 0.00 40 L 8.03 3.92 0.00 1.69 1.77 0.88 0.84 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 41 A 8.34 3.96 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 42 A 7.83 3.92 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 43 L 8.08 3.98 0.00 1.86 1.75 0.98 0.51 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 44 L 8.23 3.99 0.00 1.82 1.85 0.90 0.72 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 45 A 8.61 4.25 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 46 A 8.01 4.09 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.58 4.53 0.00 1.94 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 2.41 2.37 0.00 48 G 8.27 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 49 I 7.66 4.07 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 1.30 0.99 0.91 0.00 0.00 50 E 8.70 4.78 0.00 1.92 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 2.20 2.29 0.00 51 V 7.96 4.52 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 0.75 0.00 0.00 0.91 0.00 0.00 52 T 7.99 4.39 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 53 Q 8.51 3.92 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.54 2.38 0.00 54 A 7.98 3.97 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 55 T 7.40 3.82 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 1.24 0.00 0.00 56 L 7.83 3.96 0.00 1.80 1.61 0.91 0.51 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 57 S 8.43 4.04 0.00 3.97 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 58 R 7.98 3.94 0.00 2.06 1.95 0.00 3.26 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 59 D 8.64 4.34 0.00 2.73 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 60 L 8.17 3.95 0.00 1.72 1.65 0.34 0.88 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 61 E 8.23 3.91 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 62 E 8.19 4.01 0.00 2.09 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 2.35 2.63 0.00 63 L 8.13 4.22 0.00 1.89 1.74 0.92 1.28 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 64 G 7.86 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.11 4.49 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.78 4.45 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 0.80 0.00 0.00 0.94 0.00 0.00 67 K 8.52 4.12 0.00 1.20 1.49 0.00 1.33 0.00 0.00 1.42 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.05 0.49 7.81 68 L 8.90 4.73 0.00 1.68 1.46 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.29 4.77 0.00 1.92 1.78 0.00 3.07 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 70 G 8.27 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.44 4.06 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 72 D 8.62 4.35 0.00 2.79 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 73 G 8.06 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 0.00 0.00 0.00 74 G 7.88 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.43 4.05 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 1.18 0.00 0.00 76 G 8.48 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.11 4.79 1.95 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 1.21 0.92 0.91 0.00 0.00 78 Y 8.85 4.73 0.00 2.88 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 9.10 4.67 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 0.78 0.00 0.00 0.95 0.00 0.00 80 V 8.26 4.57 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 0.76 0.00 0.00 0.95 0.00 0.00 81 P 0.00 4.26 0.00 2.04 2.03 0.00 3.83 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 82 E 8.26 3.90 0.00 2.15 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 2.19 2.30 0.00 *89 G 8.18 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 0.00 0.00 0.00 90 V 7.81 4.52 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 0.92 0.00 0.00 0.93 0.00 0.00 91 S 8.74 4.15 0.00 3.92 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 92 G 9.10 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 0.00 0.00 0.00 93 G 8.27 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 0.00 0.00 0.00 94 T 7.83 4.05 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 1.19 0.00 0.00 95 D 7.90 4.20 0.00 2.73 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 96 R 8.25 3.85 0.00 1.78 2.13 0.00 3.48 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 97 M 7.91 4.09 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.65 0.00 98 A 8.63 4.04 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 99 R 8.09 3.85 0.00 2.10 2.08 0.00 3.27 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 100 L 7.81 4.22 0.00 1.77 1.60 0.42 0.61 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 0.00 101 L 7.76 4.01 0.00 1.83 1.74 1.05 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 102 G 8.03 3.66 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 0.00 0.00 0.00 103 E 8.06 4.15 0.00 2.05 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 2.33 2.41 0.00 104 L 8.63 4.39 0.00 1.69 1.68 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.78 4.22 0.00 1.66 1.62 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.84 3.95 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 0.80 0.00 0.00 0.90 0.00 0.00 107 S 7.70 4.82 0.00 3.89 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 0.00 108 T 8.12 5.10 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 1.24 0.00 0.00 109 D 8.60 4.71 0.00 2.74 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.29 5.11 0.00 2.77 2.61 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 0.00 111 S 9.54 4.42 0.00 3.82 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 0.00 112 G 8.28 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 0.00 113 N 8.79 4.85 0.00 2.89 3.04 0.00 0.00 5.75 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.13 5.28 0.00 1.70 1.58 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.88 4.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 9.00 4.61 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 0.95 0.00 0.00 0.93 0.00 0.00 117 L 8.76 5.08 0.00 1.44 1.34 0.06 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.74 5.22 0.00 1.67 1.77 0.00 3.37 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 119 T 8.57 5.55 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 1.18 0.00 0.00 120 P 0.00 4.42 0.00 2.11 2.02 0.00 3.63 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 121 P 0.00 4.39 0.00 2.04 2.01 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 122 G 8.79 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 0.00 0.00 0.00 123 A 8.00 4.33 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 7.72 3.91 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 H 8.23 4.07 0.00 3.23 3.41 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.02 4.34 0.00 2.95 3.11 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 0.00 127 L 7.98 3.75 0.00 1.75 1.58 0.82 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.26 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 0.00 129 S 8.30 4.02 0.00 4.04 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 0.00 130 A 7.67 3.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.71 3.68 2.04 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.73 1.08 0.00 0.00 132 D 8.36 4.56 0.00 2.91 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 0.00 133 R 8.19 4.01 0.00 1.86 1.98 0.00 3.13 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 134 A 7.86 3.94 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 0.00 135 A 7.71 3.72 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 0.00 136 L 7.51 4.11 0.00 1.69 1.55 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 137 P 0.00 4.30 0.00 2.02 2.10 0.00 3.64 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 2.00 2.09 0.00 138 Q 8.02 4.23 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 139 V 7.35 4.68 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 0.80 0.00 0.00 0.97 0.00 0.00 140 V 9.12 3.76 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 0.78 0.00 0.00 0.96 0.00 0.00 141 G 7.24 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 0.00 142 T 8.41 5.33 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 1.28 0.00 0.00 143 I 8.57 4.65 1.86 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 1.16 1.01 0.90 0.00 0.00 144 A 8.64 4.97 0.90 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 0.00 145 G 8.93 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 0.00 146 D 8.92 4.67 0.00 2.69 2.65 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 0.00 147 D 7.80 5.07 0.00 2.96 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 0.00 148 T 7.82 5.12 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 1.24 0.00 0.00 149 I 8.83 4.93 1.75 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.76 0.88 0.00 0.00 150 L 8.68 4.84 0.00 1.63 1.58 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 151 V 8.69 4.69 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 1.18 0.00 0.00 0.86 0.00 0.00 152 V 8.70 4.47 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 0.96 0.00 0.00 0.94 0.00 0.00 153 A 8.99 4.73 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 R 9.05 4.16 0.00 1.86 1.81 0.00 3.16 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 155 E 8.94 4.29 0.00 2.00 1.88 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 2.32 2.31 0.00 156 P 0.00 4.73 0.00 2.16 2.12 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 157 T 7.66 3.89 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 1.25 0.00 0.00 158 T 8.19 4.65 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 1.21 0.00 0.00 159 G 8.83 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 0.00 160 A 7.98 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 0.00 161 Q 8.13 3.87 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 162 L 7.88 3.83 0.00 2.01 1.87 0.91 1.04 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 0.00 163 A 8.48 4.34 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 0.00 164 G 8.35 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 0.00 165 M 8.35 3.92 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.24 0.00 166 F 8.13 4.23 0.00 3.25 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 0.00 167 E 8.38 4.12 0.00 2.09 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 2.60 2.50 0.00 168 N 8.13 4.49 0.00 2.81 2.93 0.00 0.00 7.28 7.07 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 0.00 169 L 7.90 4.18 0.00 1.71 1.73 0.82 0.79 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 0.00 170 R 7.41 4.13 0.00 2.02 1.91 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 * Residues marked with a * may have inaccurate shift predictions.