NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 G 3.9013 8.3501 109.7381 45.5964 0.0000 172.8831 10 A 3.9281 8.5444 121.4638 56.0492 19.2744 174.5631 11 D 4.7540 7.7609 112.0200 53.4314 41.5960 173.8000 12 H 4.8964 8.8564 124.2271 55.0087 31.9199 174.7097 13 I 3.8715 8.7994 121.3041 63.2358 37.2286 176.4849 14 S 4.3529 7.6525 114.0564 59.0701 63.2773 174.3137 15 L 4.6218 8.2617 120.6415 54.5088 41.9528 175.8584 16 N 4.8508 7.7607 117.6579 50.9619 40.4985 172.5934 17 P 4.3047 0.0000 0.0000 65.9026 31.4936 178.5795 18 D 4.6073 8.1394 114.3721 55.9514 40.7057 176.6617 19 L 4.6822 7.8184 118.9872 54.2754 42.2751 175.6277 20 A 4.8114 7.4510 122.2361 50.5090 22.0685 175.3416 21 N 4.6529 8.4567 113.6576 52.5124 39.5821 176.0205 22 E 3.8680 8.9294 123.2952 59.5703 29.6782 177.8999 23 D 4.5277 7.8984 115.4252 54.2467 41.7630 175.9418 24 E 4.4281 8.3964 120.0205 57.2955 30.9501 178.6015 25 V 2.6590 7.2660 110.1185 63.8034 31.6836 176.6428 26 N 4.6233 7.9429 114.9576 53.5476 38.6934 174.8438 27 S 4.7161 7.6640 114.2594 57.0297 63.7195 174.2279 28 C 4.5442 8.6851 122.1332 59.0545 40.2559 174.1683 29 D 4.6846 8.1384 118.6262 54.0683 40.9486 176.0672 30 Y 4.5638 7.9088 122.5651 57.0764 39.3800 176.6044 31 W 4.3360 8.9427 124.5115 59.7040 27.8876 177.1494 32 R 3.3143 5.8400 111.6363 56.5975 29.1446 175.9274 33 H 5.1063 7.7435 116.7164 56.2331 29.1925 174.1935 34 C 4.5623 8.3402 115.4346 56.9794 42.4524 174.0290 35 A 5.2592 7.7332 120.3765 50.4200 20.2099 175.7911 36 V 3.3550 7.2716 119.6325 63.7878 32.9353 174.7842 37 D 5.3340 8.4949 126.4869 51.9025 42.4018 176.1455 38 G 3.8641 7.2229 117.1740 46.0707 0.0000 169.5018 39 F 5.3877 8.0150 121.2204 55.2313 41.4917 174.4051 40 L 4.2315 8.6039 125.9262 54.9792 41.4231 177.1642 41 C 4.3563 8.9116 123.6438 60.0120 40.3321 176.6409 42 S 4.4296 8.0814 111.9938 59.8379 62.3763 175.3394 43 C 4.8605 8.4662 116.9874 57.1181 40.8803 173.3845 44 C 4.6778 8.7368 117.1264 56.8172 39.8646 174.8382 45 G 3.8780 8.6938 108.0966 45.0670 0.0000 174.3495 46 G 4.3710 7.7356 109.7244 44.5377 0.0000 170.3657 47 T 4.8348 7.8841 110.5206 59.9507 71.6960 174.2917 48 T 4.1037 8.4100 109.6106 63.7314 69.1339 175.3329 49 T 4.6952 7.4820 110.6584 61.0216 69.9357 173.6584 50 T 4.6736 7.6552 111.6933 60.0402 71.4916 173.1621 51 C 4.6096 8.5633 121.1689 55.7445 42.2046 172.0261 52 P 4.5158 0.0000 0.0000 61.5298 31.6649 174.2900 53 P 4.3469 0.0000 0.0000 64.7398 31.5273 177.0139 54 G 3.9421 9.0305 111.2061 45.0284 0.0000 173.2823 55 S 4.8130 7.5495 113.7089 57.4807 65.3427 173.7419 56 T 4.7093 8.9261 117.4626 60.9375 71.3320 172.3134 57 P 4.8808 0.0000 0.0000 62.8314 32.2506 175.7705 58 S 5.0652 8.4565 118.0701 56.6233 63.9769 172.9697 59 P 4.3855 0.0000 0.0000 64.3573 31.6005 175.5579 60 I 4.7087 7.1650 111.1599 59.1928 41.4573 175.8507 61 S 3.7074 6.9723 119.9366 58.1621 67.4125 178.2019 *63 I 4.1249 8.1094 118.8023 61.0890 38.3813 173.3779 64 G 4.4771 8.6871 110.6020 45.2207 0.0000 171.7083 65 T 4.9024 8.5888 118.9974 61.8044 68.5032 174.1013 66 C 4.8304 8.8592 122.8916 56.3937 42.4585 171.6995 67 H 5.4415 8.8656 121.5112 54.3236 31.3434 174.0597 68 N 4.0906 8.6472 125.4285 51.0891 38.7445 173.7400 69 P 4.3710 0.0000 0.0000 64.9863 31.5086 176.9696 70 H 4.5453 8.1603 115.6711 56.8133 29.1138 175.7790 71 D 4.6299 7.8425 116.6642 52.2717 40.4004 175.0821 72 G 4.0558 8.1321 104.5354 46.6526 0.0000 173.3114 73 K 4.5226 7.9200 118.3570 54.8306 35.1866 174.8056 74 D 5.4791 8.2492 120.4494 52.9942 43.3653 175.2922 75 Y 5.1311 9.2093 119.8138 56.1787 42.3509 174.4105 76 L 4.7895 9.1888 121.6672 53.8475 43.9829 175.8394 77 I 4.5543 8.6092 124.3336 59.3772 40.3254 174.3927 78 S 4.3287 8.8419 123.1339 57.4575 63.5754 173.2649 79 Y 5.4624 7.8848 126.2539 56.3030 36.1614 174.7797 80 H 4.5351 8.1909 119.6355 55.7146 30.8919 174.0778 81 D 5.6093 9.5485 121.3651 53.1972 43.9612 174.5820 82 C 5.3264 9.2288 119.3326 56.0273 40.8612 172.5255 83 C 5.4955 8.8047 121.1086 54.4752 43.8254 174.6133 84 G 3.6618 9.6819 107.1005 45.6142 0.0000 173.4269 85 K 4.6688 7.3134 117.0101 54.2331 35.9381 175.9870 86 T 4.0343 8.3450 110.5899 60.7480 69.4982 173.6843 87 A 3.9104 8.5464 124.7083 52.5591 18.0006 178.1299 88 C 3.8931 8.2761 123.5667 58.4354 43.7154 175.7294 89 G 3.2615 5.6233 104.3515 45.1632 0.0000 172.8673 90 R 4.4482 6.5095 117.7445 55.4111 33.1357 175.3006 91 C 4.1657 8.6801 117.3482 58.2029 37.3522 172.7265 92 Q 4.9173 7.9161 119.7576 56.3912 29.9954 176.5198 93 C 5.0624 9.3175 123.0119 55.3371 45.0028 173.2974 94 N 5.3378 8.2236 117.2325 53.0706 38.9712 172.5568 95 T 4.5471 8.9363 118.8434 61.2078 71.4965 176.0233 96 Q 4.6463 8.3071 125.9559 55.7411 30.2445 175.6038 97 T 3.9437 8.0061 116.8762 64.7151 68.7377 175.8078 98 R 4.0171 8.8618 123.9836 56.2070 28.6114 176.1022 99 E 4.3556 7.7100 120.5334 56.4846 30.6364 175.8030 100 R 4.9422 8.5481 124.2792 53.5020 34.0386 173.1555 101 P 3.9857 0.0000 0.0000 62.0529 32.4407 177.6693 102 G 3.7643 8.1730 108.3050 48.8150 0.0000 174.5507 103 Y 4.4675 6.3587 117.0911 57.1542 37.9748 176.5034 104 E 4.8163 8.4082 119.7709 58.9448 31.3739 178.3417 105 F 3.7558 8.0760 123.3761 61.4843 40.6132 176.8060 106 F 4.5663 7.9955 115.0287 58.2455 38.6136 175.6056 107 L 4.9864 8.4545 119.2757 53.3984 42.8632 175.1831 108 H 5.9536 8.3027 118.8176 54.2564 30.8307 174.4259 109 N 5.0402 8.7372 122.9262 53.0542 37.6264 174.3269 110 D 4.6860 7.4727 115.2630 54.7341 41.6105 176.2571 111 V 4.0780 6.6103 111.3368 58.9366 35.0245 174.8715 112 N 4.1276 7.9957 121.0277 52.9152 38.7326 175.4142 113 W 4.4913 8.1221 123.6941 57.8566 29.0994 176.2212 114 C 4.9671 8.1970 116.2193 56.7621 40.0732 175.4584 115 M 3.8123 8.0342 118.9315 57.5859 30.6176 177.0124 116 A 4.6284 7.9142 119.1941 51.7310 19.9751 176.2235 117 N 4.6912 7.7804 113.8806 52.4985 39.3946 174.8143 118 E 4.0464 8.9343 120.7954 58.8094 29.6176 176.9187 119 N 4.9530 7.8851 115.5632 51.7648 41.2510 173.6154 120 S 4.7746 8.8063 119.3470 58.9212 63.8231 174.1541 121 T 4.2108 8.0560 113.3416 61.8719 69.7832 173.4609 122 F 4.6326 8.9442 127.5588 58.6644 40.2769 172.9694 123 H 4.6565 8.4409 124.5178 56.8347 31.8197 171.1308 124 C 4.9705 7.1737 109.8630 54.9443 41.2940 171.6324 125 T 5.5480 9.4270 117.2512 62.2847 70.6900 174.5589 126 T 4.7752 8.9992 116.2117 60.5761 72.0307 174.0077 127 S 4.7624 8.7514 117.6057 56.6208 63.4790 172.4652 128 V 3.7536 8.5358 122.8077 61.9139 32.8605 174.4449 129 L 4.2159 8.3800 130.8027 55.2518 41.8979 176.4456 130 V 3.6993 8.9363 128.0219 63.8080 31.8171 176.9026 131 G 4.0392 7.3435 105.6275 45.7840 0.0000 170.8568 132 L 3.9488 8.2685 119.3490 54.4792 42.0673 176.9824 133 A 4.4782 9.0153 126.7353 50.2737 20.4958 177.5283 134 K 4.0047 8.4793 117.5170 56.8258 32.7345 175.3407 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 9 G 8.35 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 10 A 8.54 3.93 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 11 D 7.76 4.75 0.00 2.78 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 12 H 8.86 4.90 0.00 3.06 3.07 0.00 5.70 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 13 I 8.80 3.87 1.89 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 1.54 0.70 0.94 0.00 0.00 14 S 7.65 4.35 0.00 3.56 3.62 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 15 L 8.26 4.62 0.00 1.65 1.69 0.91 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 16 N 7.76 4.85 0.00 2.72 2.68 0.00 0.00 7.11 7.71 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 17 P 0.00 4.30 0.00 2.25 2.17 0.00 3.69 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 2.16 2.29 0.00 18 D 8.14 4.61 0.00 2.67 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 19 L 7.82 4.68 0.00 1.79 1.65 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.45 4.81 1.15 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 0.00 0.00 0.00 0.00 0.00 21 N 8.46 4.65 0.00 2.77 2.72 0.00 0.00 6.82 7.66 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 22 E 8.93 3.87 0.00 1.99 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 2.38 2.30 0.00 23 D 7.90 4.53 0.00 2.59 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 24 E 8.40 4.43 0.00 1.92 1.83 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 2.15 2.29 0.00 25 V 7.27 2.66 1.89 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 0.17 0.00 0.00 0.85 0.00 0.00 26 N 7.94 4.62 0.00 2.75 2.84 0.00 0.00 6.89 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 27 S 7.66 4.72 0.00 3.90 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 28 C 8.69 4.54 0.00 3.04 3.15 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 0.00 0.00 0.00 29 D 8.14 4.68 0.00 2.75 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 30 Y 7.91 4.56 0.00 3.21 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.94 4.34 0.00 3.69 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 32 R 5.84 3.31 0.00 1.00 0.66 0.00 2.79 0.00 0.00 2.93 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 33 H 7.74 5.11 0.00 3.26 3.30 0.00 5.62 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 34 C 8.34 4.56 0.00 3.07 3.57 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 A 7.73 5.26 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 0.00 0.00 0.00 0.00 0.00 36 V 7.27 3.36 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 0.85 0.00 0.00 0.68 0.00 0.00 37 D 8.49 5.33 0.00 2.48 2.31 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 38 G 7.22 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 0.00 0.00 0.00 39 F 8.01 5.39 0.00 3.07 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.60 4.23 0.00 1.74 1.62 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 41 C 8.91 4.36 0.00 3.16 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.08 4.43 0.00 4.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 8.47 4.86 0.00 2.89 3.10 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 44 C 8.74 4.68 0.00 2.95 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 45 G 8.69 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.74 4.37 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 0.00 47 T 7.88 4.83 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 1.24 0.00 0.00 48 T 8.41 4.10 4.33 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 1.26 0.00 0.00 49 T 7.48 4.70 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 1.20 0.00 0.00 50 T 7.66 4.67 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 51 C 8.56 4.61 0.00 2.99 3.06 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 52 P 0.00 4.52 0.00 2.18 2.20 0.00 3.66 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 2.19 2.19 0.00 53 P 0.00 4.35 0.00 2.01 2.01 0.00 3.68 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 2.02 2.11 0.00 54 G 9.03 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 55 S 7.55 4.81 0.00 3.92 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 56 T 8.93 4.71 4.27 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 1.23 0.00 0.00 57 P 0.00 4.88 0.00 1.94 1.98 0.00 3.68 0.00 0.00 3.72 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 58 S 8.46 5.07 0.00 4.20 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 59 P 0.00 4.39 0.00 2.25 2.26 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 60 I 7.17 4.71 2.06 0.00 0.00 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 1.73 1.32 1.08 0.00 0.00 61 S 6.97 3.71 0.00 3.63 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 *63 I 8.11 4.12 1.88 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.32 0.89 0.00 0.00 64 G 8.69 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.59 4.90 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 66 C 8.86 4.83 0.00 3.03 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 67 H 8.87 5.44 0.00 3.26 3.29 0.00 5.73 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 68 N 8.65 4.09 0.00 1.45 2.47 0.00 0.00 6.70 8.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.37 0.00 2.10 2.18 0.00 3.55 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 1.82 2.04 0.00 70 H 8.16 4.55 0.00 2.95 3.28 0.00 5.81 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 7.84 4.63 0.00 2.79 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 72 G 8.13 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 0.00 0.00 0.00 73 K 7.92 4.52 0.00 1.71 1.46 0.00 1.84 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.72 7.81 74 D 8.25 5.48 0.00 2.55 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 75 Y 9.21 5.13 0.00 3.21 3.06 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 76 L 9.19 4.79 0.00 1.56 1.55 0.91 0.80 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 77 I 8.61 4.55 1.29 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.29 0.20 0.00 0.00 78 S 8.84 4.33 0.00 3.70 3.57 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 79 Y 7.88 5.46 0.00 2.83 2.86 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 80 H 8.19 4.54 0.00 3.12 3.26 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 9.55 5.61 0.00 2.82 2.94 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 82 C 9.23 5.33 0.00 2.88 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 C 8.80 5.50 0.00 2.90 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 84 G 9.68 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 85 K 7.31 4.67 0.00 1.43 1.56 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.29 7.81 86 T 8.35 4.03 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 1.22 0.00 0.00 87 A 8.55 3.91 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 88 C 8.28 3.89 0.00 2.39 2.74 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 89 G 5.62 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 0.00 0.00 0.00 90 R 6.51 4.45 0.00 1.48 1.77 0.00 3.23 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.41 0.00 91 C 8.68 4.17 0.00 3.19 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 92 Q 7.92 4.92 0.00 2.37 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.69 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.10 0.00 93 C 9.32 5.06 0.00 2.75 2.86 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 94 N 8.22 5.34 0.00 2.59 2.62 0.00 0.00 6.91 7.70 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 95 T 8.94 4.55 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 1.22 0.00 0.00 96 Q 8.31 4.65 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.10 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 97 T 8.01 3.94 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 98 R 8.86 4.02 0.00 2.03 2.15 0.00 3.41 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 99 E 7.71 4.36 0.00 1.95 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 2.47 2.52 0.00 100 R 8.55 4.94 0.00 1.65 1.71 0.00 3.45 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 101 P 0.00 3.99 0.00 0.77 1.60 0.00 3.29 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 1.97 1.92 0.00 102 G 8.17 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 0.00 103 Y 6.36 4.47 0.00 3.24 3.10 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 0.00 104 E 8.41 4.82 0.00 2.16 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 2.42 2.55 0.00 105 F 8.08 3.76 0.00 2.95 2.46 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 0.00 106 F 8.00 4.57 0.00 3.15 2.94 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 0.00 107 L 8.45 4.99 0.00 1.69 1.66 1.01 1.36 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 0.00 108 H 8.30 5.95 0.00 3.15 3.12 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.74 5.04 0.00 2.69 2.77 0.00 0.00 5.95 8.06 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 0.00 110 D 7.47 4.69 0.00 2.39 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 0.00 111 V 6.61 4.08 1.51 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 0.45 0.00 0.00 -0.53 0.00 0.00 112 N 8.00 4.13 0.00 2.60 2.54 0.00 0.00 7.03 7.95 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 0.00 113 W 8.12 4.49 0.00 3.60 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 C 8.20 4.97 0.00 3.32 3.27 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 0.00 115 M 8.03 3.81 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.64 0.00 116 A 7.91 4.63 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.78 4.69 0.00 3.05 2.91 0.00 0.00 6.83 7.67 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 0.00 118 E 8.93 4.05 0.00 1.93 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 2.32 2.41 0.00 119 N 7.89 4.95 0.00 2.68 2.66 0.00 0.00 6.98 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 0.00 120 S 8.81 4.77 0.00 4.07 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.06 4.21 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 122 F 8.94 4.63 0.00 3.21 3.10 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 0.00 123 H 8.44 4.66 0.00 3.32 3.29 0.00 5.87 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 C 7.17 4.97 0.00 3.27 2.97 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 0.00 125 T 9.43 5.55 4.37 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 1.46 0.00 0.00 126 T 9.00 4.78 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 1.28 0.00 0.00 127 S 8.75 4.76 0.00 3.73 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 0.00 128 V 8.54 3.75 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 0.81 0.00 0.00 0.94 0.00 0.00 129 L 8.38 4.22 0.00 1.57 1.54 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.94 3.70 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.90 0.00 0.00 131 G 7.34 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.27 3.95 0.00 1.51 1.38 0.78 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 133 A 9.02 4.48 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 8.48 4.00 0.00 1.82 1.82 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.16 1.05 7.81 * Residues marked with a * may have inaccurate shift predictions.