NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4052 8.3193 115.2905 58.1657 62.5703 172.6456 7 V 4.0460 8.0165 127.6559 59.1422 32.8818 173.9632 8 P 4.5114 0.0000 0.0000 61.7236 32.9830 177.6699 9 K 3.9662 8.5414 120.0723 56.6711 32.5506 176.9316 10 E 4.1234 8.6458 121.3382 56.3014 30.0212 177.2171 11 L 4.2338 8.3769 122.4656 55.6180 42.2112 176.4182 12 Y 4.9311 7.9822 116.5706 57.5085 42.8698 175.6178 13 L 3.8452 7.0829 121.1762 56.6933 42.5316 175.3850 14 S 4.4929 7.3148 110.4566 57.6414 65.0884 173.3193 15 S 4.7238 8.4050 114.2857 57.5598 63.6694 174.1025 16 S 4.6170 7.6617 115.6161 56.2818 67.1187 174.8105 17 L 3.9458 8.4141 124.1079 57.9949 41.6368 179.0993 18 K 3.8932 7.8794 118.5909 59.4484 32.5254 177.8900 19 D 4.3944 8.0862 118.2919 57.2746 41.2017 177.8017 20 L 3.8956 7.9283 120.8449 58.3461 42.0395 178.6946 21 N 4.3816 8.7561 116.4998 56.0558 38.2951 177.4278 22 K 4.0271 7.9088 120.0017 58.9772 31.8711 178.6996 23 K 4.1020 7.8705 117.0439 57.6817 32.2136 177.5440 24 T 4.3170 7.4809 108.5803 61.7169 69.6434 175.0973 25 E 4.2745 7.3936 121.8521 56.3577 30.1004 176.8303 26 V 4.3003 8.1440 112.9068 61.1099 34.2060 176.0885 27 K 4.3592 7.8371 120.3696 54.5927 32.7779 175.6429 28 P 4.7361 0.0000 0.0000 64.9008 31.4250 178.1799 29 E 4.0473 8.2666 114.2916 58.1880 29.4526 177.4211 30 K 4.4953 8.2335 117.9936 55.8572 32.8145 175.4142 31 I 4.2983 7.7219 121.1417 58.9060 39.2240 176.5101 32 S 4.4199 8.2917 120.4800 58.1243 65.0880 175.1738 33 T 3.9166 8.4699 119.4982 66.7580 68.1005 176.5819 34 K 4.0470 8.1242 120.8465 59.8284 32.2853 178.7126 35 S 4.1598 8.3160 115.4686 61.9624 62.6382 176.3686 36 Y 4.1754 7.9925 119.3328 60.9778 37.5820 178.8845 37 V 3.6518 8.0888 119.3757 66.2339 31.5444 177.5795 38 H 4.1840 8.5401 116.2751 59.1717 28.5414 177.7449 39 S 4.2014 8.3327 116.3688 61.6824 62.6557 176.5090 40 A 4.1653 8.7109 123.5834 55.4415 18.1363 179.4745 41 L 4.1110 8.1651 117.3108 58.0687 41.7210 179.8690 42 K 4.0386 8.0303 119.5107 59.5137 32.1036 178.9563 43 I 3.7288 8.2912 120.5686 64.3292 37.0266 178.1002 44 F 3.6422 8.7160 121.7626 61.1089 39.1838 177.0755 45 K 3.9341 8.1440 119.0934 59.8710 31.9156 178.9396 46 T 3.8003 7.9778 115.8404 66.2968 68.2753 176.4552 47 A 3.4967 7.8093 122.9492 55.0496 18.2009 179.5391 48 E 3.7485 7.6528 116.8992 59.4761 29.4340 179.4197 49 E 3.9275 7.9829 118.5377 59.7293 29.5450 179.3036 50 C 4.0838 8.2432 116.9991 62.5406 28.1345 175.9936 51 R 3.9217 8.5165 120.6940 59.7158 29.4995 178.7071 52 L 4.0690 7.7919 116.8949 57.3505 41.6838 178.2551 53 D 4.4642 8.2004 116.2122 54.2703 41.2565 175.9097 54 R 3.8567 7.6483 116.0807 57.8259 28.5711 177.2466 55 D 4.6162 7.8791 118.5915 53.3465 39.7566 175.4572 56 E 4.0715 8.3185 125.2308 58.7076 29.7896 178.4118 57 E 4.0628 8.0931 118.3579 59.6149 29.6832 179.4402 58 R 3.9849 8.2513 117.5691 58.9986 30.0198 179.0073 59 A 3.7793 8.1674 120.7108 55.1169 18.1824 178.8470 60 Y 4.1508 8.0528 117.0516 61.0818 38.9480 178.3386 61 V 3.5911 7.6583 117.5368 65.9708 31.8441 177.7032 62 L 4.1609 7.8297 118.6702 57.7261 41.5874 179.6436 63 Y 4.5148 7.6620 113.7416 58.6970 37.5081 178.0034 *65 K 4.2069 8.0187 123.6234 56.6654 34.3990 177.1599 66 Y 4.0607 8.4039 119.4348 60.7890 38.6004 178.3372 67 V 3.7015 7.9666 118.7794 66.2453 31.6321 177.9837 68 T 3.7973 7.9113 115.0432 66.6753 68.2551 176.4515 69 V 3.2307 7.9277 120.2584 65.9705 31.4293 177.4742 70 Y 3.7602 7.7549 119.1256 60.8115 38.4493 177.6958 71 N 4.0766 8.1545 116.2516 55.8170 38.5848 177.0895 72 L 3.8723 7.4709 122.1532 58.0989 42.2361 179.1096 73 I 3.3696 7.4328 113.5139 63.4812 37.2739 178.0575 74 K 2.4800 7.0812 119.0938 58.2543 32.2391 177.9168 75 K 4.0831 6.8740 117.5449 57.7201 32.6299 178.0456 76 R 4.1480 7.8882 119.9269 55.0678 31.7946 175.4995 77 P 4.2971 0.0000 0.0000 65.9722 31.3823 178.6879 78 D 4.4736 8.1149 117.3282 56.0620 39.2634 178.3721 79 F 4.2418 8.2413 121.6949 61.1413 39.3846 177.0327 80 K 4.1640 8.4684 118.2289 59.6936 31.6848 179.0037 81 Q 4.0375 8.1650 118.4352 58.3787 29.4490 177.7285 82 Q 4.5872 8.0848 118.9883 55.0061 30.1366 177.8219 83 Q 3.6306 7.5677 123.9805 58.7055 29.2425 176.9668 84 D 4.3381 7.9554 119.1248 57.4807 40.9011 177.8798 85 Y 3.9497 7.7778 119.3309 60.9025 38.7092 178.1791 86 F 4.1533 7.7750 118.4852 60.7382 38.8095 177.4043 87 H 4.3779 8.2466 116.0005 59.0965 28.2742 178.0175 88 S 4.0788 7.9095 115.9670 61.5606 62.6801 176.5848 89 I 3.7438 7.4142 121.6850 64.3153 36.9347 178.1946 90 L 4.3852 8.0448 119.1144 54.5722 41.9278 176.4869 91 G 3.7630 8.3726 109.9137 45.4499 0.0000 172.2406 92 P 4.3221 0.0000 0.0000 65.2264 31.1725 179.0191 93 G 3.6114 7.9454 104.3044 47.7727 0.0000 175.4513 94 N 4.0486 7.7893 118.3717 55.8434 38.4240 177.6466 95 I 3.8013 7.4721 120.8399 64.1935 37.3791 178.2219 96 K 3.8888 7.6082 119.2761 59.1831 32.0440 178.5438 97 K 3.7545 8.2787 119.9413 59.5241 32.0972 178.1221 98 A 3.8120 8.1598 120.9552 55.4429 18.2888 179.6205 99 V 3.5522 7.7006 116.4248 66.2211 31.6081 177.9065 100 E 4.1018 8.0423 116.4894 58.7412 29.6670 178.7746 101 E 3.7149 8.3676 119.9296 59.0615 29.3811 178.6521 102 A 4.1605 7.8608 120.8545 55.5610 18.3120 179.2916 103 E 3.9418 8.1820 117.3804 59.3186 29.7192 179.0107 104 R 3.8600 8.0832 118.6721 59.5660 30.1359 178.5861 105 L 4.0648 8.6996 119.4159 57.7367 41.5156 179.6916 106 S 3.7432 8.4154 114.4357 61.2632 62.7983 176.5074 107 E 3.9083 8.0232 122.1280 58.9951 29.1118 179.0176 108 S 4.0801 7.9199 113.1126 61.5534 62.4499 176.3450 109 L 3.6356 8.0524 121.8028 57.5499 41.3857 179.4928 110 K 3.9932 8.2713 118.7688 59.6789 31.9802 179.3459 111 L 4.0517 7.6543 119.0704 57.7147 41.6267 179.7440 112 R 3.8790 8.1579 118.3439 59.3122 29.9785 178.6161 113 Y 4.3137 8.2803 116.8900 61.1794 37.7906 178.4775 114 E 3.9617 8.1707 119.7085 59.1342 29.6843 178.1888 115 E 3.8930 8.6639 119.6664 59.4204 29.6282 178.8257 116 A 3.9762 8.1066 120.6042 55.0782 18.4834 179.2989 117 E 3.8817 8.2245 117.9054 59.2828 29.6836 179.0808 118 V 3.5763 8.0783 118.6681 66.0995 31.5266 178.0185 119 R 3.8485 8.2416 118.5988 59.1115 29.9734 178.0874 120 K 3.8465 8.1510 119.5218 59.7199 32.1283 178.8367 121 K 3.9923 8.1030 118.4303 59.3329 31.8982 179.3836 122 L 3.9732 8.1339 119.3592 57.9106 41.5077 179.3086 123 E 3.9630 8.4446 118.8013 59.4603 29.4207 179.1971 124 E 3.8963 8.1399 119.0908 59.0473 29.7332 178.6266 125 K 3.9030 8.1798 119.7439 59.7797 32.2509 178.4286 126 D 4.3518 8.4848 119.4793 57.1804 40.7137 178.6824 127 R 3.8438 8.2768 119.4845 59.7319 30.0598 178.6662 128 Q 4.0184 8.1423 117.6782 58.8286 28.5846 178.4812 129 E 3.9356 8.2918 119.6878 59.6539 29.5610 179.2129 130 E 3.9161 8.2537 118.8921 58.8493 29.6184 178.6729 131 A 3.9541 8.1019 121.0858 55.2222 18.5231 179.3218 132 Q 3.9151 8.3000 118.2950 59.4853 29.0611 178.8280 133 R 3.9567 8.3383 119.3929 58.9249 30.0891 178.7177 134 L 3.9216 8.0940 120.3310 58.1288 41.8754 178.8995 135 Q 4.0509 7.9915 118.5169 59.2207 29.4604 177.8496 136 Q 4.5855 8.0815 120.1121 58.4232 28.5668 177.8035 137 K 3.7766 7.7775 120.8222 59.5609 32.2167 178.1652 138 R 4.0458 7.2108 115.0502 59.5751 30.3543 176.5101 139 Q 4.1692 7.9647 120.9301 56.1618 28.8533 175.9582 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 6 S 8.32 4.41 0.00 3.85 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 7 V 8.02 4.05 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 0.77 0.00 0.00 0.94 0.00 0.00 8 P 0.00 4.51 0.00 2.09 2.04 0.00 3.71 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 2.04 2.11 0.00 9 K 8.54 3.97 0.00 1.81 1.86 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.49 7.81 10 E 8.65 4.12 0.00 1.99 1.96 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 2.34 2.36 0.00 11 L 8.38 4.23 0.00 1.66 1.61 0.92 0.77 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 12 Y 7.98 4.93 0.00 3.03 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 13 L 7.08 3.85 0.00 0.37 1.24 0.83 0.64 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 14 S 7.31 4.49 0.00 3.72 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.41 4.72 0.00 3.96 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 16 S 7.66 4.62 0.00 3.97 3.93 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 17 L 8.41 3.95 0.00 1.76 1.69 0.90 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.88 3.89 0.00 1.77 1.81 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.48 7.81 19 D 8.09 4.39 0.00 2.82 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.93 3.90 0.00 1.95 1.76 0.81 0.40 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 21 N 8.76 4.38 0.00 2.89 2.83 0.00 0.00 7.02 7.14 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 22 K 7.91 4.03 0.00 1.88 1.80 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.70 7.81 23 K 7.87 4.10 0.00 1.86 1.82 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.38 7.81 24 T 7.48 4.32 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 25 E 7.39 4.27 0.00 2.04 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 2.30 2.58 0.00 26 V 8.14 4.30 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 0.75 0.00 0.00 0.93 0.00 0.00 27 K 7.84 4.36 0.00 1.82 2.02 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.46 7.81 28 P 0.00 4.74 0.00 2.24 2.26 0.00 3.92 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 29 E 8.27 4.05 0.00 2.08 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 0.00 2.29 2.29 0.00 30 K 8.23 4.50 0.00 1.82 1.80 0.00 1.63 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.36 7.81 31 I 7.72 4.30 1.40 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.60 -0.03 0.00 0.00 32 S 8.29 4.42 0.00 4.08 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.47 3.92 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 0.73 0.00 0.00 34 K 8.12 4.05 0.00 2.01 1.92 0.00 1.89 0.00 0.00 1.97 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.70 1.74 7.81 35 S 8.32 4.16 0.00 3.85 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 36 Y 7.99 4.18 0.00 3.18 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 37 V 8.09 3.65 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.96 0.00 0.00 38 H 8.54 4.18 0.00 3.47 3.38 0.00 5.88 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 39 S 8.33 4.20 0.00 4.19 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 40 A 8.71 4.17 1.31 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 41 L 8.17 4.11 0.00 1.98 1.85 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.03 4.04 0.00 1.85 2.04 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.53 7.81 43 I 8.29 3.73 2.22 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.67 1.02 0.00 0.00 44 F 8.72 3.64 0.00 2.99 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 45 K 8.14 3.93 0.00 1.98 2.08 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.50 7.81 46 T 7.98 3.80 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 1.15 0.00 0.00 47 A 7.81 3.50 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.65 3.75 0.00 1.98 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 1.66 2.23 0.00 49 E 7.98 3.93 0.00 2.12 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 2.30 2.50 0.00 50 C 8.24 4.08 0.00 2.94 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 51 R 8.52 3.92 0.00 2.06 2.12 0.00 3.10 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 52 L 7.79 4.07 0.00 1.78 1.71 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.20 4.46 0.00 2.76 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.65 3.86 0.00 1.97 1.96 0.00 3.20 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 55 D 7.88 4.62 0.00 2.85 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 56 E 8.32 4.07 0.00 2.01 1.98 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 2.40 2.37 0.00 57 E 8.09 4.06 0.00 2.07 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 0.00 2.52 2.37 0.00 58 R 8.25 3.98 0.00 2.08 1.95 0.00 3.13 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 1.66 1.73 0.00 59 A 8.17 3.78 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 60 Y 8.05 4.15 0.00 3.07 3.32 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 61 V 7.66 3.59 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 0.90 0.00 0.00 1.13 0.00 0.00 62 L 7.83 4.16 0.00 1.44 1.47 0.86 0.90 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 63 Y 7.66 4.51 0.00 2.92 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *65 K 8.02 4.21 0.00 1.94 2.00 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.45 7.81 66 Y 8.40 4.06 0.00 3.30 3.26 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 67 V 7.97 3.70 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 1.13 0.00 0.00 1.12 0.00 0.00 68 T 7.91 3.80 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 1.16 0.00 0.00 69 V 7.93 3.23 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 0.91 0.00 0.00 0.93 0.00 0.00 70 Y 7.75 3.76 0.00 2.73 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 71 N 8.15 4.08 0.00 2.63 2.77 0.00 0.00 7.06 8.59 0.00 0.00 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 7.47 3.87 0.00 1.57 1.43 0.68 0.57 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 73 I 7.43 3.37 1.60 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 1.41 0.10 0.70 0.00 0.00 74 K 7.08 2.48 0.00 1.03 0.74 0.00 1.33 0.00 0.00 1.15 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.13 1.04 7.81 75 K 6.87 4.08 0.00 1.84 1.80 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.36 7.81 76 R 7.89 4.15 0.00 1.96 2.04 0.00 3.10 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 77 P 0.00 4.30 0.00 2.18 2.14 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 78 D 8.11 4.47 0.00 3.01 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 79 F 8.24 4.24 0.00 3.05 3.18 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 80 K 8.47 4.16 0.00 2.08 1.92 0.00 1.77 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.75 7.81 81 Q 8.16 4.04 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.44 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 82 Q 8.08 4.59 0.00 2.13 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.54 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 83 Q 7.57 3.63 0.00 2.35 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 84 D 7.96 4.34 0.00 2.70 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 85 Y 7.78 3.95 0.00 2.82 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 86 F 7.77 4.15 0.00 2.38 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 87 H 8.25 4.38 0.00 3.27 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.91 4.08 0.00 3.85 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 89 I 7.41 3.74 1.80 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 0.50 0.07 0.87 0.00 0.00 90 L 8.04 4.39 0.00 1.77 1.82 1.23 1.41 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 91 G 8.37 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 92 P 0.00 4.32 0.00 2.13 2.08 0.00 3.57 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 93 G 7.95 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 94 N 7.79 4.05 0.00 2.59 1.42 0.00 0.00 7.02 6.87 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 95 I 7.47 3.80 1.67 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.03 0.35 0.00 0.00 96 K 7.61 3.89 0.00 1.82 2.03 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81 97 K 8.28 3.75 0.00 1.96 2.13 0.00 1.51 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.64 1.39 7.81 98 A 8.16 3.81 1.61 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 99 V 7.70 3.55 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 1.05 0.00 0.00 1.00 0.00 0.00 100 E 8.04 4.10 0.00 2.23 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 0.00 2.55 2.27 0.00 101 E 8.37 3.71 0.00 1.16 1.21 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 1.90 1.63 0.00 102 A 7.86 4.16 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 0.00 103 E 8.18 3.94 0.00 2.15 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 2.32 2.38 0.00 104 R 8.08 3.86 0.00 2.04 2.05 0.00 3.13 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 105 L 8.70 4.06 0.00 2.02 1.86 1.22 1.09 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 0.00 106 S 8.42 3.74 0.00 3.86 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 0.00 107 E 8.02 3.91 0.00 2.08 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 2.58 2.45 0.00 108 S 7.92 4.08 0.00 3.88 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 0.00 109 L 8.05 3.64 0.00 1.55 1.49 0.82 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.27 3.99 0.00 1.97 1.88 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.50 7.81 111 L 7.65 4.05 0.00 1.81 1.68 0.90 0.90 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 0.00 112 R 8.16 3.88 0.00 1.53 1.77 0.00 3.04 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 113 Y 8.28 4.31 0.00 3.00 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 0.00 114 E 8.17 3.96 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 115 E 8.66 3.89 0.00 2.14 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 2.30 2.47 0.00 116 A 8.11 3.98 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 0.00 117 E 8.22 3.88 0.00 2.15 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 0.00 2.31 2.36 0.00 118 V 8.08 3.58 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 1.01 0.00 0.00 0.97 0.00 0.00 119 R 8.24 3.85 0.00 2.01 2.02 0.00 3.17 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 120 K 8.15 3.85 0.00 1.93 2.04 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.50 7.81 121 K 8.10 3.99 0.00 1.99 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.59 7.81 122 L 8.13 3.97 0.00 1.91 1.71 0.92 0.97 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 0.00 123 E 8.44 3.96 0.00 2.06 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 2.33 2.42 0.00 124 E 8.14 3.90 0.00 2.11 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 0.00 125 K 8.18 3.90 0.00 1.86 2.04 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 126 D 8.48 4.35 0.00 2.86 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 0.00 127 R 8.28 3.84 0.00 1.98 2.08 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 128 Q 8.14 4.02 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.69 0.00 129 E 8.29 3.94 0.00 2.17 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 2.33 2.33 0.00 130 E 8.25 3.92 0.00 2.18 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 2.30 2.37 0.00 131 A 8.10 3.95 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 0.00 132 Q 8.30 3.92 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 133 R 8.34 3.96 0.00 2.02 1.96 0.00 3.18 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 134 L 8.09 3.92 0.00 1.86 1.87 0.92 0.54 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 0.00 135 Q 7.99 4.05 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 136 Q 8.08 4.59 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.50 0.00 0.00 0.00 0.00 0.00 2.58 2.22 0.00 137 K 7.78 3.78 0.00 1.99 1.90 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.51 7.81 138 R 7.21 4.05 0.00 2.08 2.02 0.00 3.21 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 139 Q 7.96 4.17 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 * Residues marked with a * may have inaccurate shift predictions.