NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4473 8.3193 115.4132 58.1230 64.6141 173.7085 3 M 4.0461 8.1257 118.7610 55.6939 31.9697 174.1081 4 K 4.4263 9.1378 123.3609 55.2993 34.6267 177.7354 5 T 4.0848 8.2355 119.5726 62.8902 69.0584 174.4062 6 L 4.1052 8.3990 128.7148 54.1651 42.7177 174.9016 7 P 4.4182 0.0000 0.0000 62.2988 31.9914 175.9924 8 K 4.2490 8.4105 121.3489 55.8500 32.6573 176.4918 9 E 4.5550 8.3594 124.0920 54.3784 32.5578 174.5456 10 R 3.8458 8.5737 126.6405 56.4554 30.7047 175.2273 11 R 4.5582 7.7618 121.8094 54.5450 33.7147 175.0152 12 F 4.8524 8.2553 116.0657 57.1925 41.0796 176.8979 13 E 3.6208 8.4570 120.6426 57.1084 27.2950 174.8790 14 T 3.9124 8.3423 121.9788 66.2450 68.9921 174.4959 15 F 4.4839 9.0209 123.5581 57.8850 36.9662 176.1102 16 S 4.6132 8.1889 114.0077 59.4016 63.1090 174.2709 17 Y 4.2186 8.0574 117.6471 58.1892 38.6734 175.6691 18 L 4.5147 7.7073 120.3394 52.5732 42.8659 174.8631 19 P 4.3071 0.0000 0.0000 62.2809 31.5531 174.4624 20 P 4.2285 0.0000 0.0000 62.9264 31.7694 176.0261 21 L 4.2199 8.3726 122.6577 54.3190 42.0992 177.9766 22 S 4.3521 9.0480 119.5718 58.3438 65.1072 175.2328 23 D 4.3620 8.5359 121.6155 57.2469 40.5085 179.2315 24 R 3.9997 7.8995 118.6352 59.1466 30.0553 178.7405 25 Q 3.9407 7.7593 118.1380 58.7299 28.7316 178.5383 26 I 3.6462 8.0474 121.0391 64.4156 37.0791 178.3512 27 A 4.1261 8.0671 120.9202 54.8453 18.2806 179.5551 28 A 3.9595 8.0171 119.6407 55.3632 18.5157 179.8908 29 Q 4.1022 7.9592 116.5060 59.1212 28.8009 178.8071 30 I 4.0255 8.0313 120.9300 64.1500 37.0575 178.2822 31 E 3.9833 8.6150 119.9733 59.5192 29.2587 178.4607 32 Y 4.1136 8.0083 119.2893 61.1539 38.8076 177.8998 33 M 4.0197 8.1150 118.9041 58.7860 32.3044 178.6463 34 I 3.6689 7.7240 119.3607 64.7006 37.1276 178.4291 35 E 3.8837 7.9535 117.8747 59.4642 29.3889 179.2140 36 Q 3.6519 7.5630 116.8959 56.7804 28.5549 177.4428 37 G 3.7965 7.1333 107.1872 44.8409 0.0000 173.5562 38 F 4.8759 7.1139 117.8199 57.6762 40.0775 174.6483 39 H 4.9040 8.9113 119.3957 53.9953 30.2882 173.2742 40 P 4.9962 0.0000 0.0000 62.6487 32.8444 175.2126 41 L 4.9465 8.9046 124.4840 53.6513 45.9237 174.6299 42 I 4.9294 8.5793 126.4550 60.0027 39.3188 174.4235 43 E 5.5271 9.2398 125.8181 54.5745 33.6298 174.8570 44 F 5.6972 8.9002 116.7952 55.5614 41.9396 173.0857 45 N 4.7085 8.5862 117.3955 52.0813 41.7789 175.4327 46 E 3.9111 8.7835 124.4140 58.8337 29.8701 176.4763 47 H 5.1583 7.6589 113.7463 54.0360 32.5691 173.6134 48 S 4.6164 8.1314 114.5827 56.3520 61.6626 171.1485 49 N 4.8200 7.9575 120.4415 50.4665 39.8760 174.8151 50 P 4.4006 0.0000 0.0000 65.4787 31.5855 177.5780 51 E 3.8040 7.6358 119.4101 58.6625 29.6580 176.6975 *64 E 3.9991 7.7212 115.6419 56.2566 30.6479 175.7403 65 F 4.5216 8.2964 120.8871 58.9903 39.6151 175.6778 66 Y 4.8576 7.7249 117.5360 55.9904 39.6238 175.2853 67 W 4.7670 8.8783 124.4474 55.6786 31.9578 175.2375 68 T 4.3075 8.0529 117.5584 62.4595 69.4966 174.5772 69 M 4.4466 8.4757 126.3678 55.2403 33.2241 175.2054 70 W 4.8226 9.3355 135.0000 55.9034 31.3519 176.9809 71 K 3.4216 8.5112 129.1648 57.5428 30.4911 178.3021 72 L 4.8625 8.2266 126.3299 52.5771 45.1776 173.8780 73 P 4.2327 0.0000 0.0000 62.8701 31.6098 177.7717 74 L 4.3173 8.1975 123.4516 53.8326 40.0794 176.9211 75 F 4.4087 8.2947 123.1956 60.9152 39.5171 177.1969 76 D 4.7686 7.9361 120.7215 51.5292 38.1968 174.8660 77 C 4.7251 8.2664 124.1272 58.0210 34.5282 175.1656 78 K 4.6152 8.2723 132.6679 53.0600 32.3606 175.3435 79 S 4.6122 7.5508 112.6068 55.9569 64.8731 176.5958 80 P 4.3863 0.0000 0.0000 65.2025 31.0390 178.3554 81 Q 4.0062 8.0617 117.7997 58.9421 28.9835 177.6250 82 Q 4.0168 8.0821 120.6750 59.1306 29.0778 178.6113 83 V 3.6270 7.7659 118.6276 66.1763 31.7687 177.9186 84 L 4.0843 8.0689 118.5822 57.7864 41.3170 179.3398 85 D 4.4074 8.7163 119.5456 57.3407 40.7276 178.5879 86 E 4.1493 8.1584 118.9015 59.2892 29.4024 179.5399 87 V 3.4237 7.9236 118.3817 65.8993 31.6326 178.2844 88 R 3.8160 7.9801 117.7875 59.3030 29.7974 178.7213 89 E 3.8898 8.2556 119.1351 59.2661 29.5506 178.4269 90 C 2.4500 7.7435 119.1914 61.7925 31.2181 175.5629 91 R 3.6145 7.7351 119.5175 59.0896 29.5896 178.4657 92 S 4.1194 7.3926 114.5597 61.4226 62.9391 175.7456 93 E 3.8991 7.3750 120.2642 57.6947 30.7961 176.0571 94 Y 4.9325 7.2519 116.0430 55.8622 38.8521 176.6281 95 G 3.6429 7.7525 109.5110 47.6527 0.0000 174.0271 96 D 4.6620 8.0505 118.3042 54.1765 39.7937 175.0421 97 C 4.9007 7.5385 116.4596 57.9682 32.0458 173.2965 98 Y 4.4536 8.7930 118.8925 58.1715 38.8313 175.0240 99 I 5.3897 9.2453 124.2516 59.6677 41.2241 174.5460 100 R 5.0005 9.3429 125.8013 54.6526 33.8916 173.6330 101 V 4.6784 8.2989 125.9142 61.3352 33.4204 174.3359 102 A 5.1102 8.9180 129.0401 50.0547 22.5434 174.7649 103 G 4.4291 8.5594 108.1604 44.4825 0.0000 172.2828 104 F 4.7903 8.8907 125.4942 55.9559 42.5529 173.3719 105 D 5.1163 8.1580 127.2984 53.3988 41.4922 176.4907 106 N 4.9923 9.1519 123.4855 54.2058 38.5038 176.6184 107 I 3.9423 8.0546 120.2912 64.4262 37.5695 177.3274 108 K 4.1007 8.2268 117.2751 56.2123 32.7021 176.1431 109 E 4.4071 7.8851 118.3793 56.1737 28.1597 173.4046 110 C 4.5730 6.6961 114.3000 56.9057 35.8399 173.1301 111 Q 4.1565 8.3898 126.2873 56.7638 28.4197 175.5455 112 T 4.1394 8.4486 117.6870 62.2382 70.3706 175.1693 113 V 4.5649 7.0412 120.5310 61.1927 35.6459 174.5340 114 S 4.7684 8.5340 115.4517 57.7107 64.8898 174.7433 115 F 5.1098 8.0428 121.9801 55.3789 41.5759 173.9523 116 I 4.3443 8.6962 122.3099 61.8593 37.4353 176.2991 117 V 4.4984 8.6835 118.0568 61.9176 33.2359 175.7230 118 H 4.7283 8.0153 120.6477 55.1393 33.0098 172.4099 119 R 4.3926 8.2147 124.8603 53.6403 31.7774 174.5480 120 P 4.3455 0.0000 0.0000 62.3960 32.3015 176.0443 121 G 3.4616 8.0347 108.4792 47.4350 0.0000 173.6841 122 R 4.2629 8.5419 125.3372 56.6281 31.0015 175.6292 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 S 8.32 4.45 0.00 4.00 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 3 M 8.13 4.05 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 4 K 9.14 4.43 0.00 1.77 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.45 7.81 5 T 8.24 4.08 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 1.22 0.00 0.00 6 L 8.40 4.11 0.00 1.60 1.60 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.42 0.00 2.08 1.97 0.00 3.74 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 2.03 2.11 0.00 8 K 8.41 4.25 0.00 1.74 1.75 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.42 7.81 9 E 8.36 4.56 0.00 1.84 1.70 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 2.17 2.29 0.00 10 R 8.57 3.85 0.00 1.75 1.74 0.00 3.20 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.43 0.00 11 R 7.76 4.56 0.00 1.75 1.75 0.00 3.16 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 12 F 8.26 4.85 0.00 3.12 3.09 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 0.00 0.00 0.00 13 E 8.46 3.62 0.00 2.18 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 2.28 2.22 0.00 14 T 8.34 3.91 4.15 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 0.28 0.00 0.00 15 F 9.02 4.48 0.00 3.32 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 16 S 8.19 4.61 0.00 4.28 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 0.00 17 Y 8.06 4.22 0.00 3.02 3.13 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 18 L 7.71 4.51 0.00 1.86 1.59 0.92 0.91 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 19 P 0.00 4.31 0.00 2.16 2.07 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 20 P 0.00 4.23 0.00 2.06 2.07 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 21 L 8.37 4.22 0.00 1.59 1.49 0.47 0.55 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 22 S 9.05 4.35 0.00 4.01 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 23 D 8.54 4.36 0.00 2.71 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 24 R 7.90 4.00 0.00 1.83 1.95 0.00 3.11 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 25 Q 7.76 3.94 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 26 I 8.05 3.65 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.08 1.11 0.00 0.00 27 A 8.07 4.13 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 28 A 8.02 3.96 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 29 Q 7.96 4.10 0.00 2.25 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.24 1.85 0.00 30 I 8.03 4.03 2.10 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 1.70 0.95 1.00 0.00 0.00 31 E 8.61 3.98 0.00 2.31 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 2.37 2.52 0.00 32 Y 8.01 4.11 0.00 3.14 3.33 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 33 M 8.12 4.02 0.00 2.30 2.46 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.12 2.97 0.00 34 I 7.72 3.67 1.99 0.00 0.00 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 1.91 1.35 0.91 0.00 0.00 35 E 7.95 3.88 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 2.31 2.48 0.00 36 Q 7.56 3.65 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.72 0.00 0.00 0.00 0.00 0.00 1.16 1.37 0.00 37 G 7.13 3.80 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 0.00 0.00 0.00 38 F 7.11 4.88 0.00 2.95 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 39 H 8.91 4.90 0.00 3.31 3.22 0.00 5.81 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 5.00 0.00 2.11 2.02 0.00 3.83 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 41 L 8.90 4.95 0.00 1.65 1.44 0.92 0.88 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 42 I 8.58 4.93 2.14 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.53 0.95 0.00 0.00 43 E 9.24 5.53 0.00 2.11 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 2.29 2.26 0.00 44 F 8.90 5.70 0.00 3.05 3.08 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 45 N 8.59 4.71 0.00 1.44 1.42 0.00 0.00 7.45 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 46 E 8.78 3.91 0.00 1.70 1.79 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 2.29 2.41 0.00 47 H 7.66 5.16 0.00 2.94 3.14 0.00 5.79 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 48 S 8.13 4.62 0.00 2.98 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 49 N 7.96 4.82 0.00 2.81 2.92 0.00 0.00 6.74 8.03 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 50 P 0.00 4.40 0.00 2.14 2.15 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 51 E 7.64 3.80 0.00 2.07 1.86 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 2.25 2.24 0.00 *64 E 7.72 4.00 0.00 2.02 1.93 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 2.17 2.23 0.00 65 F 8.30 4.52 0.00 2.32 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 0.00 0.00 0.00 0.00 66 Y 7.72 4.86 0.00 3.07 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 67 W 8.88 4.77 0.00 3.13 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 68 T 8.05 4.31 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 0.99 0.00 0.00 69 M 8.48 4.45 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.75 0.00 70 W 9.34 4.82 0.00 3.72 3.33 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 71 K 8.51 3.42 0.00 1.64 0.74 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.68 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.83 0.21 7.81 72 L 8.23 4.86 0.00 1.56 1.54 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.23 0.00 0.49 1.47 0.00 3.56 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.90 0.00 74 L 8.20 4.32 0.00 1.70 1.65 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.29 4.41 0.00 3.07 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 76 D 7.94 4.77 0.00 2.69 2.48 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 77 C 8.27 4.73 0.00 2.98 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 78 K 8.27 4.62 0.00 1.76 1.56 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.24 0.96 7.81 79 S 7.55 4.61 0.00 3.58 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 80 P 0.00 4.39 0.00 2.18 2.21 0.00 3.59 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 2.15 2.21 0.00 81 Q 8.06 4.01 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.68 0.00 82 Q 8.08 4.02 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 83 V 7.77 3.63 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 1.08 0.00 0.00 0.99 0.00 0.00 84 L 8.07 4.08 0.00 1.93 1.73 0.96 1.02 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 85 D 8.72 4.41 0.00 2.87 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 86 E 8.16 4.15 0.00 2.25 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 2.66 2.63 0.00 87 V 7.92 3.42 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 1.07 0.00 0.00 0.96 0.00 0.00 88 R 7.98 3.82 0.00 2.07 1.92 0.00 3.18 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 89 E 8.26 3.89 0.00 2.25 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 2.56 2.42 0.00 90 C 7.74 2.45 0.00 1.23 2.38 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 91 R 7.74 3.61 0.00 1.75 1.88 0.00 3.18 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.17 0.00 92 S 7.39 4.12 0.00 3.98 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 93 E 7.38 3.90 0.00 1.92 1.45 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 1.81 2.11 0.00 94 Y 7.25 4.93 0.00 2.72 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 95 G 7.75 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 0.00 0.00 0.00 96 D 8.05 4.66 0.00 2.83 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 97 C 7.54 4.90 0.00 3.15 3.05 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 98 Y 8.79 4.45 0.00 2.78 3.13 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 99 I 9.25 5.39 1.96 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 1.20 0.93 1.00 0.00 0.00 100 R 9.34 5.00 0.00 1.80 1.64 0.00 2.78 0.00 0.00 2.74 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.27 0.00 101 V 8.30 4.68 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 0.77 0.00 0.00 0.85 0.00 0.00 102 A 8.92 5.11 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 0.00 103 G 8.56 4.43 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 0.00 104 F 8.89 4.79 0.00 3.20 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 0.00 105 D 8.16 5.12 0.00 2.37 2.34 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 0.00 106 N 9.15 4.99 0.00 3.07 3.28 0.00 0.00 6.34 7.81 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 0.00 107 I 8.05 3.94 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.84 0.93 0.00 0.00 108 K 8.23 4.10 0.00 1.82 1.77 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.51 7.81 109 E 7.89 4.41 0.00 2.09 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 2.48 2.64 0.00 110 C 6.70 4.57 0.00 2.87 2.43 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 0.00 111 Q 8.39 4.16 0.00 2.15 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 112 T 8.45 4.14 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 0.59 0.00 0.00 113 V 7.04 4.56 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 1.37 0.00 0.00 1.17 0.00 0.00 114 S 8.53 4.77 0.00 3.75 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 0.00 115 F 8.04 5.11 0.00 3.33 3.33 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 0.00 116 I 8.70 4.34 1.98 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.97 1.10 0.00 0.00 117 V 8.68 4.50 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 0.86 0.00 0.00 1.02 0.00 0.00 118 H 8.02 4.73 0.00 3.14 3.10 0.00 5.65 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.21 4.39 0.00 1.47 1.44 0.00 3.15 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.38 0.00 120 P 0.00 4.35 0.00 1.88 1.90 0.00 2.53 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.36 0.00 121 G 8.03 3.46 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 0.00 122 R 8.54 4.26 0.00 1.91 1.90 0.00 3.31 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.