NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 3.8385 8.0549 120.3810 62.7389 32.5056 175.1882 4 I 4.1200 8.0143 128.5300 58.2753 36.4989 173.6841 5 N 5.1170 8.0629 126.2096 51.6427 38.8791 174.2189 6 T 4.8287 7.7176 108.2953 60.6070 72.7421 173.9550 7 F 4.3199 8.3740 120.5034 61.1142 38.9674 177.7124 8 D 4.5347 8.3424 117.8603 57.8049 40.7699 178.2232 9 G 3.8906 7.8504 104.5231 48.5646 0.0000 175.4982 10 V 3.6555 8.5079 119.9821 65.1891 31.6043 178.3605 11 A 4.1228 8.6100 120.8681 55.4593 18.2729 179.4082 12 D 4.3547 9.0429 117.9634 57.5577 40.7461 178.4165 13 Y 4.2001 8.3386 120.2111 60.5623 38.7207 177.9186 14 L 4.3407 8.1729 121.2680 57.4196 41.5622 179.0776 15 Q 4.1559 7.5053 116.6570 60.1724 28.7970 179.3701 16 T 3.6164 7.4901 115.1525 65.9694 68.5323 175.8079 17 Y 4.1024 8.3293 119.9929 57.8820 38.6553 175.3480 18 H 3.0129 8.6169 119.5937 56.0686 26.6693 174.9858 19 K 4.6754 7.5122 116.4967 53.8542 35.4248 176.6898 20 L 4.3910 8.3163 118.5299 53.7433 42.8752 175.4742 21 P 3.2479 0.0000 0.0000 62.4113 31.7416 177.3126 22 D 4.7457 8.3842 116.8574 54.1971 39.4666 177.5926 23 N 4.5903 7.7181 116.4120 54.2973 38.5397 174.0104 24 Y 5.1545 7.4729 118.1399 56.9738 39.5258 174.9742 25 I 4.8488 9.4982 118.1613 59.1543 41.5275 175.5381 26 T 4.7561 8.4884 114.9204 60.9449 70.1744 175.5631 27 K 4.1658 9.2452 121.2959 59.5201 31.9940 179.9659 28 S 4.2276 8.1280 114.1716 61.6241 63.0172 175.8927 29 E 3.9508 8.7144 122.5768 59.0949 29.2711 178.9183 30 A 4.1015 8.4127 122.8348 56.1641 17.9152 180.0362 31 Q 4.7789 8.7711 120.0147 59.8962 28.0876 180.4378 32 A 4.3455 7.9076 122.5030 55.2579 18.1005 180.4478 33 L 4.4513 7.6171 112.7313 54.9512 41.4806 177.7584 34 G 3.9251 8.5444 106.1473 45.9664 0.0000 174.1035 35 W 4.4791 8.5778 131.1569 56.7549 31.1176 175.2785 36 V 3.5826 8.6573 126.0901 60.6491 30.8261 175.8550 37 A 3.5077 6.8274 129.9859 55.1477 18.3807 179.7971 38 S 4.2320 7.9132 109.9316 61.2994 62.8088 176.0055 39 K 4.2175 8.0022 119.9881 57.8134 32.3355 178.8923 40 G 3.5666 8.0287 107.6443 45.9116 0.0000 173.2682 41 N 5.0435 8.4462 114.2007 52.5495 38.1744 176.4808 42 L 4.0231 8.1976 122.9509 58.4517 42.2856 178.5300 43 A 4.2098 7.8704 121.6107 54.7161 18.2279 179.1234 44 D 4.3750 8.1570 118.0524 58.0810 41.1460 179.2112 45 V 4.2965 7.5797 115.8819 61.7422 32.6050 177.9808 46 A 4.7509 7.2174 116.8929 52.2867 21.1279 173.2012 47 P 4.7668 0.0000 0.0000 62.9208 32.2128 177.0193 48 G 3.7648 8.8663 112.2281 46.7278 0.0000 173.6984 49 K 4.7481 7.6762 121.4854 53.5961 34.5230 179.1738 50 S 4.6340 8.7219 114.3875 57.6660 68.1285 173.7675 51 I 4.4999 8.1672 123.5807 61.4962 37.7531 175.2976 52 G 4.1639 9.3265 112.8714 46.5825 0.0000 173.7905 53 G 4.3661 9.4196 111.1798 44.4393 0.0000 173.8506 54 D 4.7035 7.8129 119.3030 53.8330 42.2687 175.9048 55 I 4.1815 8.3824 121.5108 61.7517 38.0667 175.3674 56 F 4.8757 9.0727 128.2041 56.6573 40.5699 175.4869 57 S 3.9511 8.3702 122.0556 58.7603 63.6656 173.4235 58 N 3.5014 5.7700 118.6360 54.1837 36.9298 175.3844 59 R 3.7846 7.2818 117.2428 59.1603 30.6974 178.3721 60 E 4.1399 8.0411 114.7050 56.0957 29.9947 176.6119 61 G 3.8339 7.5076 106.2966 46.4378 0.0000 175.4478 62 K 4.0680 8.0572 121.3396 58.3364 32.4989 177.9444 63 L 3.6974 7.3813 117.9780 52.2962 42.3019 174.8690 64 P 4.3227 0.0000 0.0000 63.0227 31.6726 176.0440 65 G 4.2779 8.0884 111.0419 43.7104 0.0000 172.1205 66 K 4.1576 7.9067 119.3568 56.4789 34.3674 175.0953 67 S 4.2505 8.7326 117.0131 59.5825 62.3676 175.4016 68 G 3.8738 8.7833 112.8941 45.0282 0.0000 172.6227 69 R 4.2230 7.7197 120.1430 54.6532 31.2256 175.6471 70 T 4.7192 7.8758 114.7800 59.6330 72.1655 172.8623 71 W 5.2560 8.6693 122.3199 55.2387 32.9082 174.6871 72 R 5.2827 8.4596 120.3428 54.5908 34.6008 173.6514 73 E 5.2632 8.8865 117.6505 55.1373 33.8654 174.0670 74 A 4.8511 8.5187 119.1747 50.7846 22.8928 175.8950 75 D 4.9628 9.2781 122.0035 54.5657 40.3515 176.1058 76 I 4.4330 7.9988 121.2382 60.0936 41.2629 175.5238 77 N 4.2208 9.0041 121.2154 54.4180 36.5245 173.5893 78 Y 4.7580 7.2586 116.8497 56.4833 40.4652 174.2859 79 T 4.2060 7.2317 113.7344 62.3412 70.5815 173.8785 80 S 4.1546 6.6824 114.3745 56.7027 66.9063 175.5531 81 G 3.8687 8.3701 108.3207 46.2336 0.0000 174.6691 82 F 4.9028 8.6389 123.4787 56.9950 39.5465 175.6166 83 R 4.1173 8.8860 124.4937 56.3895 30.6168 176.1780 84 N 4.9821 8.4032 118.1625 51.9427 40.0501 175.0166 85 S 4.6813 8.4802 113.7308 58.7225 64.6899 172.6386 86 D 5.5859 8.1858 120.6864 53.3358 42.9940 175.7303 87 R 5.1292 9.0893 120.9735 54.6952 35.3460 173.6335 88 I 5.1745 8.9115 122.3383 59.3782 40.9421 174.1366 89 L 5.3969 9.9003 129.9244 53.0954 44.5296 175.0051 90 Y 5.7468 8.7804 122.0286 55.3222 41.4419 175.1140 91 S 4.1891 8.6240 117.4269 56.2895 64.9824 175.2128 92 S 3.6064 7.7822 115.9803 60.5092 62.4800 174.9492 93 D 4.4675 7.0723 118.9205 52.5467 40.0157 176.3604 94 W 3.7556 6.3192 116.0192 58.7523 26.9837 174.0092 95 L 4.9587 7.7040 118.3277 53.0201 44.4360 177.3512 96 I 5.5629 8.5254 123.1819 60.0275 40.9731 174.0168 97 Y 5.3435 9.9770 123.8540 56.0864 42.5023 174.3127 98 K 5.1945 9.1257 119.0545 55.8789 36.9352 175.0021 99 T 4.8493 8.8113 114.7143 60.7054 70.8209 173.9736 100 T 5.2840 8.7682 115.5827 60.2412 69.6187 173.4836 101 D 4.7492 7.4380 121.3330 53.6011 40.3553 174.9867 102 H 3.5452 8.5496 114.8247 58.6558 28.2621 174.3231 103 Y 3.0908 7.3725 112.3181 58.5850 36.7809 171.6576 104 Q 4.1187 7.6866 118.9643 58.4786 28.9483 176.7486 105 T 4.5506 8.1131 110.3523 59.9226 70.4108 172.5836 106 F 5.3107 8.6478 125.0971 56.0361 42.6224 174.4273 107 T 4.6949 8.9559 118.9030 61.3656 71.8965 173.1709 108 K 3.5178 8.6259 128.4534 56.0083 32.3742 176.3962 109 I 4.1271 8.5448 122.6962 61.6232 38.7049 176.4898 *110 R 4.1407 7.7791 124.5759 56.6787 29.9432 180.3823 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 V 8.05 3.84 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 0.84 0.00 0.00 0.85 0.00 0.00 4 I 8.01 4.12 1.70 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 1.50 0.80 0.92 0.00 0.00 5 N 8.06 5.12 0.00 2.80 2.86 0.00 0.00 5.74 7.22 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 6 T 7.72 4.83 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 1.19 0.00 0.00 7 F 8.37 4.32 0.00 3.13 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 8 D 8.34 4.53 0.00 2.76 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 9 G 7.85 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 0.00 0.00 0.00 10 V 8.51 3.66 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 0.93 0.00 0.00 1.07 0.00 0.00 11 A 8.61 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 12 D 9.04 4.35 0.00 2.95 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 13 Y 8.34 4.20 0.00 3.23 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 14 L 8.17 4.34 0.00 1.81 1.80 0.66 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.51 4.16 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 16 T 7.49 3.62 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 -0.26 0.00 0.00 17 Y 8.33 4.10 0.00 2.70 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 18 H 8.62 3.01 0.00 2.93 2.99 0.00 5.71 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.51 4.68 0.00 1.63 1.60 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.33 1.00 7.81 20 L 8.32 4.39 0.00 1.70 1.73 0.85 0.45 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 21 P 0.00 3.25 0.00 2.38 1.35 0.00 3.82 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.40 0.00 22 D 8.38 4.75 0.00 2.70 2.55 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 23 N 7.72 4.59 0.00 2.41 2.81 0.00 0.00 6.94 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 24 Y 7.47 5.15 0.00 3.21 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 25 I 9.50 4.85 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 0.89 0.00 0.00 26 T 8.49 4.76 4.62 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 1.28 0.00 0.00 27 K 9.25 4.17 0.00 2.07 2.13 0.00 1.81 0.00 0.00 1.92 0.00 0.00 3.17 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.90 1.57 7.81 28 S 8.13 4.23 0.00 4.10 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 29 E 8.71 3.95 0.00 2.34 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 0.00 2.33 2.21 0.00 30 A 8.41 4.10 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 31 Q 8.77 4.78 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.13 0.00 32 A 7.91 4.35 1.47 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 0.00 0.00 33 L 7.62 4.45 0.00 1.80 1.75 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.54 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 0.00 0.00 0.00 35 W 8.58 4.48 0.00 3.31 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 36 V 8.66 3.58 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 0.84 0.00 0.00 0.90 0.00 0.00 37 A 6.83 3.51 0.93 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 0.00 0.00 38 S 7.91 4.23 0.00 3.85 3.95 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 0.00 0.00 0.00 39 K 8.00 4.22 0.00 2.25 1.83 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.25 7.81 40 G 8.03 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 0.00 0.00 0.00 41 N 8.45 5.04 0.00 2.95 3.08 0.00 0.00 5.77 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 42 L 8.20 4.02 0.00 1.29 1.68 0.49 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.87 4.21 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 44 D 8.16 4.38 0.00 2.69 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 45 V 7.58 4.30 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 0.77 0.00 0.00 0.93 0.00 0.00 46 A 7.22 4.75 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 47 P 0.00 4.77 0.00 2.02 1.97 0.00 3.83 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 48 G 8.87 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 49 K 7.68 4.75 0.00 1.53 1.58 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.01 7.81 50 S 8.72 4.63 0.00 3.19 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 51 I 8.17 4.50 1.86 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.24 0.85 0.00 0.00 52 G 9.33 4.16 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 0.00 0.00 0.00 53 G 9.42 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 54 D 7.81 4.70 0.00 2.70 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 55 I 8.38 4.18 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.74 0.95 0.00 0.00 56 F 9.07 4.88 0.00 2.89 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 57 S 8.37 3.95 0.00 3.62 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 58 N 5.77 3.50 0.00 2.48 2.49 0.00 0.00 7.20 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 59 R 7.28 3.78 0.00 1.63 1.84 0.00 3.06 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.31 0.00 60 E 8.04 4.14 0.00 2.00 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 2.25 2.28 0.00 61 G 7.51 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 0.00 0.00 0.00 62 K 8.06 4.07 0.00 1.76 2.01 0.00 2.00 0.00 0.00 2.16 0.00 0.00 3.18 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.51 7.81 63 L 7.38 3.70 0.00 0.39 0.13 -0.58 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.32 0.00 2.35 2.17 0.00 3.31 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.16 0.00 65 G 8.09 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 0.00 0.00 0.00 0.00 66 K 7.91 4.16 0.00 1.88 1.87 0.00 1.49 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.19 1.23 7.81 67 S 8.73 4.25 0.00 3.65 3.72 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 68 G 8.78 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 69 R 7.72 4.22 0.00 1.62 1.87 0.00 3.23 0.00 0.00 2.61 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.13 0.00 70 T 7.88 4.72 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 1.16 0.00 0.00 71 W 8.67 5.26 0.00 3.50 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 72 R 8.46 5.28 0.00 0.77 1.58 0.00 3.08 0.00 0.00 3.46 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.39 0.00 73 E 8.89 5.26 0.00 1.99 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 2.31 2.33 0.00 74 A 8.52 4.85 0.93 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 0.00 0.00 75 D 9.28 4.96 0.00 2.63 2.62 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 76 I 8.00 4.43 1.40 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.09 -0.17 0.00 0.00 77 N 9.00 4.22 0.00 2.75 2.88 0.00 0.00 6.82 7.37 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 78 Y 7.26 4.76 0.00 2.81 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 79 T 7.23 4.21 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 1.08 0.00 0.00 80 S 6.68 4.15 0.00 3.77 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 81 G 8.37 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 82 F 8.64 4.90 0.00 3.21 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 83 R 8.89 4.12 0.00 1.87 1.82 0.00 3.27 0.00 0.00 3.46 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.60 0.00 84 N 8.40 4.98 0.00 2.84 2.94 0.00 0.00 6.02 7.64 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 85 S 8.48 4.68 0.00 3.96 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 86 D 8.19 5.59 0.00 2.76 2.73 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 87 R 9.09 5.13 0.00 1.61 1.77 0.00 3.48 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.22 0.00 88 I 8.91 5.17 2.13 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.92 1.10 0.00 0.00 89 L 9.90 5.40 0.00 1.50 1.43 -0.02 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.78 5.75 0.00 3.15 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 91 S 8.62 4.19 0.00 2.72 2.63 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 0.00 0.00 0.00 0.00 92 S 7.78 3.61 0.00 3.71 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 93 D 7.07 4.47 0.00 2.68 2.59 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 0.00 0.00 0.00 0.00 94 W 6.32 3.76 0.00 3.42 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 95 L 7.70 4.96 0.00 1.44 1.98 1.11 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.53 5.56 2.02 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.13 1.13 0.00 0.00 97 Y 9.98 5.34 0.00 2.83 2.95 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 0.00 0.00 0.00 98 K 9.13 5.19 0.00 1.01 1.66 0.00 0.78 0.00 0.00 0.61 0.00 0.00 2.41 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.98 1.24 7.81 99 T 8.81 4.85 3.75 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 0.98 0.00 0.00 100 T 8.77 5.28 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 1.38 0.00 0.00 101 D 7.44 4.75 0.00 2.82 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 0.00 102 H 8.55 3.55 0.00 3.22 3.34 0.00 5.89 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.37 3.09 0.00 3.20 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 0.00 104 Q 7.69 4.12 0.00 2.39 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 105 T 8.11 4.55 4.20 0.00 0.00 0.00 0.00 0.00 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 0.00 106 F 8.65 5.31 0.00 2.93 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 0.00 107 T 8.96 4.69 4.16 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 1.16 0.00 0.00 108 K 8.63 3.52 0.00 1.11 1.47 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.23 1.09 7.81 109 I 8.54 4.13 1.85 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 1.32 0.88 0.79 0.00 0.00 *110 R 7.78 4.14 0.00 1.68 1.85 0.00 3.26 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.77 0.00 * Residues marked with a * may have inaccurate shift predictions.