NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.1609 8.3149 120.1182 56.0120 33.4467 175.4215 4 D 4.3651 8.2707 121.4943 52.7210 41.6609 175.2420 5 S 4.2824 9.2072 116.5989 58.5847 64.1030 174.9771 6 K 4.0788 8.9178 128.9893 59.3860 31.7017 178.8436 7 Y 4.0124 8.4250 119.5325 60.5056 38.7938 177.1059 8 K 4.2063 8.5620 120.7517 60.0799 32.0138 178.1723 9 M 4.0651 7.6848 117.2435 58.2708 32.2802 177.4211 10 S 4.4639 7.5217 110.9984 57.9529 64.1346 173.5691 11 H 4.8269 7.2600 119.3635 53.4758 32.1095 174.0144 12 T 4.2261 8.2721 113.8537 61.2115 70.9209 175.2856 13 F 4.1683 8.9742 125.2743 61.7764 39.4170 177.1038 14 E 3.8146 8.3998 118.3779 59.4048 29.4919 178.8317 15 S 4.1835 7.8778 114.3102 61.3938 63.0613 176.7598 16 R 4.1525 8.2718 122.0136 59.1352 29.7785 178.6716 17 Q 4.5135 8.1493 120.9571 58.9286 29.0293 178.6494 18 S 4.1307 7.9610 116.0369 61.2096 62.7849 176.2655 19 D 4.2643 8.1322 120.7162 57.4575 40.9933 178.2188 20 A 3.4186 7.8679 120.9259 54.6996 17.7093 179.3288 21 A 3.9409 7.6817 119.1914 54.7632 18.8028 179.6867 22 K 4.0041 7.9954 118.0582 59.1306 32.1210 179.4424 23 V 3.6043 7.6636 118.9579 65.9254 31.4029 177.6293 24 R 4.1713 7.6605 115.7738 57.0530 29.8792 177.6701 25 E 4.1505 7.4840 117.9248 58.2085 30.3850 177.3919 26 R 4.1442 7.6930 117.1566 57.9941 31.7289 176.1615 27 H 4.8397 8.1079 117.3635 52.8591 28.5633 172.4532 28 P 4.5895 0.0000 0.0000 64.4666 31.9277 178.0076 29 D 4.5448 8.0692 117.2076 54.0229 39.8331 175.3314 30 R 5.0951 7.5794 118.1815 54.4777 33.8114 174.9116 31 L 4.4521 8.4266 120.0953 52.1195 45.2642 174.2454 32 P 4.9479 0.0000 0.0000 62.4905 32.7574 174.9643 33 I 5.0769 9.2594 126.0066 59.3427 40.6085 174.5165 34 I 4.4013 8.4781 127.7904 59.6938 39.1081 174.2505 35 C 5.3887 9.3843 127.5766 57.9267 33.6804 172.7549 36 E 5.3499 9.2812 125.8962 53.8926 33.3320 175.8422 37 K 3.3026 9.1540 122.6565 56.2103 33.7130 177.0093 38 V 3.4022 8.1584 123.5504 63.8341 31.8214 175.6413 39 Y 4.2183 9.1129 129.4692 61.0658 38.8018 177.1929 40 N 4.2892 8.4207 116.5561 56.0881 38.8497 175.7062 41 S 4.3248 7.5464 110.7048 58.0454 63.8417 172.6646 42 D 4.7803 8.1799 119.1728 54.4958 41.0753 175.7254 43 I 4.4485 7.5397 116.5442 58.5121 39.6773 175.3403 44 G 3.8715 8.4432 114.6960 45.1715 0.0000 173.2113 45 E 4.5870 8.4936 122.2913 54.9374 30.5453 175.8562 46 L 4.6125 8.4442 124.2486 53.4792 43.0654 176.6086 47 D 4.4941 8.9897 123.5677 56.8438 40.8734 176.7649 48 R 4.4221 7.6928 118.5824 54.5472 30.6138 174.3893 49 C 4.6032 8.3004 115.7296 57.7868 31.3251 172.4760 50 K 4.7817 7.5208 121.3960 55.1455 33.2622 175.2798 51 F 4.7444 9.5351 126.3373 55.7055 42.3061 174.5460 52 L 4.9576 8.7241 123.5494 53.4036 42.1964 175.1824 53 V 4.2874 8.5091 124.9679 60.2127 33.5794 173.1871 54 P 4.4241 0.0000 0.0000 63.2263 31.8917 177.0181 55 S 4.2181 8.8373 118.7284 59.5779 62.2772 173.8719 56 D 4.7403 7.7827 117.4201 53.8138 40.0294 176.3768 57 L 4.4496 7.7041 121.5537 54.6969 42.6649 176.7771 58 T 4.6975 8.7868 113.5226 60.6260 71.3661 176.1963 59 V 3.7322 8.9826 121.4922 66.4407 31.4772 178.2166 60 G 3.6985 8.2646 105.3950 48.0517 0.0000 175.6568 61 Q 3.9714 7.9736 119.9066 58.7197 28.7939 178.2908 62 F 4.1700 8.2049 121.7393 61.2461 39.2624 177.2098 63 V 3.1324 7.8392 117.7830 66.0536 30.7942 178.0599 64 S 3.9886 7.6754 114.2502 61.5844 62.4146 177.0227 65 V 3.4739 7.3088 119.6933 65.8701 31.6006 177.4362 66 L 3.5334 7.6047 120.3371 57.9556 41.7865 178.8808 67 R 3.7490 8.0367 118.9870 59.2909 29.7296 178.6368 68 K 3.9754 7.4801 116.6442 58.9472 31.9918 178.8046 69 R 4.2581 7.4979 117.4129 58.5003 29.6306 178.8492 70 V 3.7392 7.5732 111.1163 61.7911 31.4437 176.7636 71 Q 3.4094 7.7266 115.4979 56.4054 26.6993 173.4259 72 L 4.0256 7.1837 117.0747 54.5382 42.7977 176.3569 73 E 3.7805 8.9696 124.0055 56.9484 29.6859 178.1160 74 A 4.1884 8.5933 126.4562 54.3270 18.6459 177.9111 75 E 4.0502 8.0442 115.6679 58.0883 30.0950 176.6926 76 S 4.7101 7.9947 115.1186 56.6944 64.1809 174.0708 77 A 3.9075 8.4162 127.2149 52.0265 18.7296 176.0368 78 L 4.7409 7.5699 121.2441 53.2780 44.7475 175.6522 79 F 4.9795 9.7592 125.5205 55.8584 42.0955 175.0876 80 V 5.1541 8.0104 113.3099 59.9677 36.0100 174.1434 81 Y 5.2341 9.1609 119.7193 56.7692 42.2309 174.6292 82 T 4.7753 8.2676 118.2441 61.8845 73.0495 173.2968 83 N 4.0737 9.6143 120.1081 54.9621 37.4582 173.8518 84 D 4.4568 8.4199 111.1512 54.6464 40.4702 172.2558 85 T 4.7297 7.9456 107.9737 58.9796 70.9242 173.7462 86 V 3.6248 8.6150 125.0933 62.2542 31.9268 175.1231 87 L 4.8087 8.2298 122.9816 52.4380 43.6804 174.4681 88 P 4.6187 0.0000 0.0000 62.1967 32.2827 177.4492 89 S 4.2312 9.0678 118.7696 61.0091 62.9936 176.5690 90 S 4.0694 8.0179 116.1151 60.8616 63.1120 174.6591 91 A 4.1742 8.0820 123.3848 52.0139 18.8473 176.2546 92 Q 4.5485 8.4929 119.6655 55.2098 29.9733 176.8145 93 M 3.9296 8.9436 123.6221 58.9057 32.1088 178.7569 94 A 4.3914 7.9668 119.1560 54.3401 18.7215 179.1601 95 D 4.3933 8.2966 118.2706 57.3131 41.0899 178.8109 96 I 4.0208 7.8121 119.8893 64.4631 37.1596 177.6001 97 Y 4.1173 8.6042 120.7458 61.0972 38.4741 178.5644 98 S 4.0639 7.5706 113.8981 61.0996 62.9597 176.4305 99 K 3.9091 7.7201 121.2060 59.0376 32.0993 177.2084 100 Y 4.6954 7.5016 113.0160 57.1279 38.5229 176.1220 101 K 4.0687 7.6632 120.5877 56.6514 33.1200 176.6318 102 D 4.6364 9.2729 122.1768 53.7653 41.9516 176.3894 103 E 4.0232 9.0319 124.2423 59.4930 29.7522 177.8792 104 D 4.3757 8.7636 116.8608 54.4203 39.7020 177.6859 105 G 4.0083 8.4250 108.8000 44.9401 0.0000 173.5843 106 F 4.8699 8.7458 119.1206 56.6274 41.0643 174.5672 107 L 4.9042 8.8349 124.5682 54.1486 43.4241 174.8442 108 Y 4.8296 8.9330 124.9011 57.4625 38.8411 174.9222 109 M 5.2129 9.6251 124.2613 53.5069 35.9885 175.0939 110 K 6.0102 9.3687 120.2253 54.2206 35.9252 174.7748 111 Y 5.6445 7.9736 118.8348 55.8697 41.8467 173.9355 112 S 4.7311 9.5146 114.6768 57.4966 66.4725 174.6037 113 G 4.1379 8.5061 114.9691 44.5184 0.0000 172.8947 114 E 4.1852 8.7434 117.4116 58.1627 30.2014 176.4614 *115 A 4.2821 7.7005 123.3121 51.9135 19.9734 176.6571 116 T 4.5080 7.4934 113.6947 62.2138 72.5929 173.6159 117 F 4.2011 8.1563 123.8375 59.9429 39.5913 176.4490 *118 G 3.7818 7.9787 112.9410 45.8672 0.0000 172.3076 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 K 8.31 4.16 0.00 1.68 1.73 0.00 1.38 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.95 0.61 7.81 4 D 8.27 4.37 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 5 S 9.21 4.28 0.00 3.96 3.71 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 6 K 8.92 4.08 0.00 2.11 1.92 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.56 7.81 7 Y 8.43 4.01 0.00 3.12 3.12 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 0.00 0.00 0.00 8 K 8.56 4.21 0.00 1.87 1.98 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.48 1.56 7.81 9 M 7.68 4.07 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 10 S 7.52 4.46 0.00 3.87 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 11 H 7.26 4.83 0.00 2.90 3.09 0.00 5.65 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 12 T 8.27 4.23 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 1.24 0.00 0.00 13 F 8.97 4.17 0.00 3.23 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 14 E 8.40 3.81 0.00 2.18 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 2.39 2.43 0.00 15 S 7.88 4.18 0.00 4.09 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 16 R 8.27 4.15 0.00 2.12 2.44 0.00 3.30 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.78 0.00 17 Q 8.15 4.51 0.00 1.24 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.10 0.00 18 S 7.96 4.13 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 19 D 8.13 4.26 0.00 3.11 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 20 A 7.87 3.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.68 3.94 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 22 K 8.00 4.00 0.00 2.04 1.92 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.43 7.81 23 V 7.66 3.60 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 0.99 0.00 0.00 0.98 0.00 0.00 24 R 7.66 4.17 0.00 1.80 1.88 0.00 3.06 0.00 0.00 3.16 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 25 E 7.48 4.15 0.00 2.06 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 2.23 2.42 0.00 26 R 7.69 4.14 0.00 1.94 1.91 0.00 3.21 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.56 0.00 27 H 8.11 4.84 0.00 3.26 3.15 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.59 0.00 2.15 2.16 0.00 3.34 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 29 D 8.07 4.54 0.00 2.87 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 30 R 7.58 5.10 0.00 1.66 1.79 0.00 3.02 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 31 L 8.43 4.45 0.00 1.29 0.95 0.77 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.95 0.00 1.77 2.03 0.00 3.21 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.76 0.00 33 I 9.26 5.08 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.76 0.77 0.00 0.00 34 I 8.48 4.40 0.92 0.00 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 -0.36 0.56 0.00 0.00 35 C 9.38 5.39 0.00 3.25 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 36 E 9.28 5.35 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 2.35 2.34 0.00 37 K 9.15 3.30 0.00 1.35 1.47 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.74 1.32 7.81 38 V 8.16 3.40 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 0.78 0.00 0.00 0.69 0.00 0.00 39 Y 9.11 4.22 0.00 2.92 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 40 N 8.42 4.29 0.00 2.77 2.86 0.00 0.00 6.82 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 41 S 7.55 4.32 0.00 4.00 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 42 D 8.18 4.78 0.00 1.94 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.54 4.45 1.97 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.11 1.00 0.00 0.00 44 G 8.44 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.49 4.59 0.00 2.00 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 2.37 2.46 0.00 46 L 8.44 4.61 0.00 1.81 1.64 1.11 1.06 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 47 D 8.99 4.49 0.00 2.67 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 48 R 7.69 4.42 0.00 1.62 1.73 0.00 3.17 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 49 C 8.30 4.60 0.00 3.31 3.23 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 50 K 7.52 4.78 0.00 1.50 1.57 0.00 1.78 0.00 0.00 1.94 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.06 7.81 51 F 9.54 4.74 0.00 3.05 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 52 L 8.72 4.96 0.00 1.46 1.58 0.93 0.78 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 53 V 8.51 4.29 1.91 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 0.95 0.00 0.00 0.77 0.00 0.00 54 P 0.00 4.42 0.00 2.11 2.04 0.00 3.69 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 55 S 8.84 4.22 0.00 3.86 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 56 D 7.78 4.74 0.00 2.81 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 57 L 7.70 4.45 0.00 2.00 1.66 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.79 4.70 4.52 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 1.22 0.00 0.00 59 V 8.98 3.73 2.27 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 1.03 0.00 0.00 1.02 0.00 0.00 60 G 8.26 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 61 Q 7.97 3.97 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 62 F 8.20 4.17 0.00 3.05 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.84 3.13 2.14 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 0.91 0.00 0.00 0.90 0.00 0.00 64 S 7.68 3.99 0.00 4.02 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 65 V 7.31 3.47 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 0.80 0.00 0.00 0.95 0.00 0.00 66 L 7.60 3.53 0.00 0.46 1.17 0.30 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.04 3.75 0.00 1.83 1.97 0.00 3.06 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 68 K 7.48 3.98 0.00 1.86 1.83 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.56 7.81 69 R 7.50 4.26 0.00 1.78 2.01 0.00 3.38 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.10 0.00 70 V 7.57 3.74 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 0.57 0.00 0.00 0.89 0.00 0.00 71 Q 7.73 3.41 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 72 L 7.18 4.03 0.00 1.54 1.52 0.91 0.87 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 73 E 8.97 3.78 0.00 2.09 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 0.00 2.40 2.40 0.00 74 A 8.59 4.19 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 75 E 8.04 4.05 0.00 1.90 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 2.27 2.37 0.00 76 S 7.99 4.71 0.00 3.96 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.42 3.91 0.83 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 0.00 0.00 78 L 7.57 4.74 0.00 1.43 1.29 0.97 0.50 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 79 F 9.76 4.98 0.00 3.03 2.54 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 0.00 0.00 0.00 0.00 80 V 8.01 5.15 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 0.90 0.00 0.00 0.96 0.00 0.00 81 Y 9.16 5.23 0.00 2.84 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 82 T 8.27 4.78 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 1.29 0.00 0.00 83 N 9.61 4.07 0.00 2.83 2.75 0.00 0.00 6.97 8.47 0.00 0.00 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 8.42 4.46 0.00 2.82 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 85 T 7.95 4.73 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 1.30 0.00 0.00 86 V 8.62 3.62 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 0.68 0.00 0.00 0.65 0.00 0.00 87 L 8.23 4.81 0.00 1.56 1.60 0.92 1.10 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 88 P 0.00 4.62 0.00 2.13 2.20 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 89 S 9.07 4.23 0.00 4.01 4.17 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 90 S 8.02 4.07 0.00 3.90 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 91 A 8.08 4.17 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 92 Q 8.49 4.55 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.72 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 93 M 8.94 3.93 0.00 1.95 2.27 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.81 0.00 94 A 7.97 4.39 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 95 D 8.30 4.39 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 96 I 7.81 4.02 2.10 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.20 1.04 0.00 0.00 97 Y 8.60 4.12 0.00 3.02 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 98 S 7.57 4.06 0.00 4.03 3.92 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 99 K 7.72 3.91 0.00 1.62 1.35 0.00 1.54 0.00 0.00 1.26 0.00 0.00 2.65 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.35 1.08 7.81 100 Y 7.50 4.70 0.00 3.16 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 0.00 101 K 7.66 4.07 0.00 1.47 1.09 0.00 0.96 0.00 0.00 1.11 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.19 1.20 7.81 102 D 9.27 4.64 0.00 3.09 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 0.00 103 E 9.03 4.02 0.00 2.03 2.16 0.00 0.00 0.00 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 2.76 0.00 104 D 8.76 4.38 0.00 3.10 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 0.00 105 G 8.42 4.01 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 0.00 0.00 0.00 106 F 8.75 4.87 0.00 3.30 2.50 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 0.00 107 L 8.83 4.90 0.00 2.02 1.72 1.11 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 8.93 4.83 0.00 2.94 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 0.00 109 M 9.63 5.21 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 110 K 9.37 6.01 0.00 1.80 1.68 0.00 1.64 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.36 7.81 111 Y 7.97 5.64 0.00 3.09 3.07 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 0.00 112 S 9.51 4.73 0.00 3.99 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 0.00 113 G 8.51 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 0.00 0.00 0.00 114 E 8.74 4.19 0.00 2.02 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 2.60 2.39 0.00 *115 A 7.70 4.28 1.10 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 0.00 116 T 7.49 4.51 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 1.25 0.00 0.00 117 F 8.16 4.20 0.00 2.94 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 *118 G 7.98 3.78 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.