NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3672 8.1849 120.6293 54.8692 42.9391 175.7514 3 S 4.6133 7.4334 113.2658 56.1229 67.3406 173.1737 4 Q 4.3994 8.3057 121.9643 55.6914 30.1793 176.1407 5 T 4.2850 8.6267 112.4879 60.6311 70.0704 174.6445 6 L 4.0891 8.4112 122.9889 58.1349 42.4850 177.7235 7 L 4.1513 8.1007 120.0056 58.3493 42.2983 179.8764 8 E 4.2990 8.1417 116.2184 57.1391 28.7442 179.1576 *10 T 4.0315 8.0383 116.8244 63.6615 70.5359 175.3119 11 E 3.9673 8.2670 121.9770 59.1693 29.9533 178.5939 12 Q 4.2785 8.0225 117.5949 56.7217 28.6620 177.6107 *14 I 4.0260 7.9168 118.4456 60.9476 39.1732 177.8677 15 E 4.7309 8.2269 121.0408 59.0794 29.1653 179.6797 16 V 3.5995 8.1208 118.0885 65.8592 31.5779 178.0138 17 A 4.0278 8.0720 120.2298 54.9539 18.3960 179.3337 18 E 3.8903 8.4488 117.2991 59.5615 29.5847 179.4238 19 K 4.0443 8.3868 120.0017 59.5392 32.1308 179.0021 20 G 3.5237 8.3738 105.8734 47.7011 0.0000 175.5719 21 A 4.4932 8.2326 123.1562 55.1658 18.3270 179.5369 22 D 4.3664 8.0982 117.1179 57.4475 40.8625 178.9230 23 R 3.8543 8.2335 119.4446 59.3462 29.6172 177.9904 24 Y 3.7528 8.1769 119.6566 60.4959 38.8291 177.6544 25 Q 3.8711 7.9577 120.0072 59.4178 29.1773 178.3056 26 E 4.0422 8.3961 119.7175 59.1952 29.4110 179.5968 27 G 3.4466 8.1481 106.1871 47.7315 0.0000 176.0046 28 K 3.7499 7.4792 119.8805 58.7976 32.0195 178.7345 29 N 4.5020 7.6591 115.5746 54.6463 38.7563 176.5323 30 S 4.5273 7.8738 113.3289 56.8434 64.4845 173.7576 31 N 4.1501 8.4762 119.7982 54.4516 37.6290 173.3934 32 H 3.9976 7.7245 115.6687 55.6595 30.3709 174.2322 33 S 4.5844 7.9218 120.2682 56.6470 63.6777 172.9539 34 Y 4.5385 8.3961 125.3547 56.6931 39.3005 174.8409 35 D 4.5695 8.6191 122.3369 53.6391 41.7981 176.4008 36 F 4.0136 9.0843 129.4704 61.5487 39.4649 177.2836 37 F 4.1643 8.1018 117.2232 59.7386 38.9369 176.1729 38 E 4.4237 8.5216 118.4367 57.0517 30.3932 175.8673 39 T 4.2699 7.8484 113.3708 64.6424 71.0788 175.9610 40 I 2.8167 7.2753 121.0581 64.1286 37.1005 178.0028 41 K 3.4480 7.4253 120.2714 59.1759 31.8490 176.8605 42 P 4.2866 0.0000 0.0000 65.4872 31.2426 178.4283 43 A 3.8981 7.6076 119.1432 55.0809 18.3288 179.8209 44 V 3.4843 7.7537 116.8058 66.1561 31.6670 178.0089 45 E 3.9509 8.4252 118.6603 59.4359 29.1965 178.9856 46 E 3.9506 8.3557 119.4126 59.4659 29.7053 178.4293 47 N 4.6590 8.3475 115.5341 55.2677 38.6219 177.0278 48 D 4.3523 8.1154 120.4296 57.2848 41.3814 177.6674 49 E 3.9681 8.0837 119.4318 59.0974 29.5306 178.3828 50 L 3.9179 7.8564 120.1015 58.3123 42.1996 178.7118 51 A 3.9334 8.4444 120.5589 55.1088 18.3785 179.5918 52 A 3.9973 8.1619 119.1508 55.5527 18.5716 180.0940 53 R 3.9227 8.0129 116.6414 58.9952 30.0355 179.1408 54 W 4.0083 8.6224 128.1750 60.5402 30.7074 177.6308 55 A 3.6568 8.7348 121.1397 55.2511 17.5877 179.3103 56 E 3.8638 8.1036 117.1766 59.4557 29.8794 179.3916 57 G 3.4499 7.7823 105.0384 47.2748 0.0000 175.7291 58 A 3.5431 7.6864 123.6924 54.7951 18.4065 179.7536 59 L 3.7823 7.8179 118.3970 58.5812 40.4034 179.0247 60 E 3.9264 7.7811 120.7045 58.8138 29.0699 178.2721 61 L 3.9154 7.5896 120.3821 58.1336 42.1399 179.0360 62 I 3.7989 7.9799 120.1350 64.5135 36.7828 177.2085 63 K 4.1307 7.7800 120.6335 58.2009 31.9923 178.4546 64 V 3.9181 7.7872 122.0965 63.8058 32.4256 176.7226 65 R 4.4983 7.3353 116.2705 53.5360 30.7895 173.5793 66 R 4.6859 8.3906 119.4074 54.8454 31.6727 172.9330 67 P 3.9848 0.0000 0.0000 64.8596 29.9559 176.6803 *71 H 4.6451 8.1459 113.9354 55.0103 31.8654 176.8889 72 K 4.2033 7.7779 123.1346 56.5469 33.3783 176.6633 73 E 4.2934 8.4349 118.7007 56.8052 28.2323 177.3057 74 Q 4.6148 7.7514 113.8195 56.4325 29.9836 177.5816 75 I 3.9721 7.6599 124.5325 64.3562 37.0281 177.6557 76 E 4.0331 8.2399 119.7474 58.8887 29.4490 178.6292 77 A 4.0270 7.8619 120.5974 55.3478 18.5827 179.9247 78 V 3.6471 7.6413 110.5689 64.1847 31.1355 178.4850 79 K 3.9230 8.3581 119.5900 59.8389 31.9511 178.4590 80 D 4.3302 7.9814 118.7483 57.3990 40.9460 178.6612 81 N 4.4131 8.6326 117.2689 55.8167 38.3344 177.3116 82 F 4.1583 8.6137 122.8398 61.3906 39.4437 177.0940 83 L 3.7641 7.5079 118.2483 57.8194 41.3996 179.2419 84 E 3.9146 8.2294 119.2285 58.9068 29.5183 178.6475 85 L 3.7978 8.0344 120.9456 58.0447 41.9443 179.1109 86 V 3.4408 7.4252 116.9657 65.7549 31.7699 177.3405 87 L 4.2322 8.1568 120.2629 58.5890 42.0646 179.1377 88 Q 4.2857 8.4658 117.7434 58.4890 28.4176 178.6019 89 S 4.4796 7.9961 114.5925 60.5955 62.9295 175.1873 90 Y 4.3526 7.5778 119.1482 59.8607 38.8039 177.3636 91 V 3.8117 8.1143 111.2677 62.3598 32.6209 175.8768 92 H 4.2996 8.3571 115.2104 56.8618 27.7898 174.6929 93 H 4.5175 9.0108 117.9784 58.6939 29.7790 177.2029 94 I 4.0127 7.9477 110.6054 60.7809 38.2250 175.8567 95 H 4.6425 8.5639 118.3337 55.5090 30.6004 176.6612 96 K 4.2214 8.7388 124.9081 58.8984 31.9410 179.1921 97 K 3.9411 8.0550 119.5745 59.6241 32.3736 178.6885 98 R 4.0060 8.0255 118.5102 59.2842 30.0060 178.0945 99 F 3.8171 8.3829 120.6809 60.9726 39.3268 177.0862 100 K 3.8982 8.3224 119.4323 59.5731 32.0860 178.4874 101 D 4.3240 8.2612 119.2941 57.3882 40.6471 178.9260 102 I 3.6344 7.5365 120.1904 64.5220 37.0028 178.5762 103 T 3.6561 7.5628 116.5517 66.6401 68.2293 176.5272 104 E 3.9376 8.1833 120.4227 59.3207 29.5057 179.3016 105 S 4.0870 7.9160 112.8562 61.4472 62.5407 175.9807 106 V 3.5327 8.0465 121.1292 66.3472 31.1559 177.8085 107 L 3.9933 8.1622 118.4773 57.9701 41.4919 178.9660 108 Y 4.1302 8.2407 119.3079 61.1980 38.7092 178.4940 109 T 3.6240 7.9220 116.3892 66.3565 68.5474 176.6535 110 L 3.9591 7.9051 120.8189 58.3698 41.6484 179.3682 111 H 4.1863 8.4444 115.9190 58.6992 28.5856 177.7876 112 A 3.7914 7.7896 122.6937 55.1542 18.1297 179.9109 113 V 3.5690 8.0012 116.8992 65.7920 31.3684 178.1766 114 K 3.9924 8.3621 119.1897 59.4445 32.0386 178.2697 115 D 4.4803 8.0251 118.7626 57.1754 40.9389 178.0105 116 E 4.1081 8.1159 118.6855 58.0490 30.8252 178.0150 117 I 4.2637 7.0767 120.6008 58.3719 35.1612 176.1924 118 A 4.5279 7.5086 127.6636 49.9095 19.8163 177.0665 119 R 4.0962 8.2442 125.0529 57.7469 30.0795 177.2818 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 L 8.18 4.37 0.00 1.66 1.73 0.92 0.50 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 3 S 7.43 4.61 0.00 3.88 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 4 Q 8.31 4.40 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.03 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 5 T 8.63 4.29 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 1.25 0.00 0.00 6 L 8.41 4.09 0.00 1.56 1.71 0.68 0.81 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 7 L 8.10 4.15 0.00 1.77 1.65 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.14 4.30 0.00 2.30 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 2.30 0.00 *10 T 8.04 4.03 4.47 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 1.25 0.00 0.00 11 E 8.27 3.97 0.00 2.02 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 2.30 2.28 0.00 12 Q 8.02 4.28 0.00 2.31 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.17 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 *14 I 7.92 4.03 1.94 0.00 0.00 0.56 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 0.45 0.92 0.00 0.00 15 E 8.23 4.73 0.00 2.17 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 2.51 0.00 16 V 8.12 3.60 2.41 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 0.98 0.00 0.00 1.06 0.00 0.00 17 A 8.07 4.03 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 0.00 0.00 0.00 0.00 0.00 18 E 8.45 3.89 0.00 2.17 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 2.36 2.58 0.00 19 K 8.39 4.04 0.00 1.97 1.80 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.47 7.81 20 G 8.37 3.52 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 0.00 0.00 0.00 21 A 8.23 4.49 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.10 4.37 0.00 2.90 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 23 R 8.23 3.85 0.00 1.85 1.90 0.00 2.52 0.00 0.00 2.91 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 24 Y 8.18 3.75 0.00 2.51 2.65 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 0.00 0.00 0.00 0.00 25 Q 7.96 3.87 0.00 2.40 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 26 E 8.40 4.04 0.00 2.13 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 2.51 2.46 0.00 27 G 8.15 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.48 3.75 0.00 1.56 1.64 0.00 1.49 0.00 0.00 1.35 0.00 0.00 2.70 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.51 0.97 7.81 29 N 7.66 4.50 0.00 2.65 2.81 0.00 0.00 6.87 7.05 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 30 S 7.87 4.53 0.00 3.95 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 31 N 8.48 4.15 0.00 2.74 2.88 0.00 0.00 7.10 8.14 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 32 H 7.72 4.00 0.00 2.93 3.00 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.92 4.58 0.00 3.76 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 34 Y 8.40 4.54 0.00 3.14 2.88 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 35 D 8.62 4.57 0.00 2.74 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 36 F 9.08 4.01 0.00 2.96 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 37 F 8.10 4.16 0.00 3.15 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 38 E 8.52 4.42 0.00 2.05 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 2.45 2.45 0.00 39 T 7.85 4.27 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 0.91 0.00 0.00 40 I 7.28 2.82 1.72 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.58 0.90 0.00 0.00 41 K 7.43 3.45 0.00 0.79 1.42 0.00 1.58 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.28 1.23 7.81 42 P 0.00 4.29 0.00 2.07 2.01 0.00 3.44 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 2.08 2.06 0.00 43 A 7.61 3.90 1.25 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 0.00 0.00 44 V 7.75 3.48 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 1.02 0.00 0.00 0.93 0.00 0.00 45 E 8.43 3.95 0.00 2.12 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 2.31 2.53 0.00 46 E 8.36 3.95 0.00 2.08 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 2.34 2.37 0.00 47 N 8.35 4.66 0.00 2.85 2.93 0.00 0.00 6.70 7.46 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 48 D 8.12 4.35 0.00 2.92 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 49 E 8.08 3.97 0.00 2.12 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 2.34 2.35 0.00 50 L 7.86 3.92 0.00 1.81 1.94 0.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.44 3.93 1.48 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 52 A 8.16 4.00 1.46 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 53 R 8.01 3.92 0.00 1.96 2.03 0.00 3.18 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 54 W 8.62 4.01 0.00 3.37 3.36 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 0.00 55 A 8.73 3.66 1.55 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 56 E 8.10 3.86 0.00 2.06 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 0.00 2.25 2.28 0.00 57 G 7.78 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.69 3.54 0.19 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 0.00 0.00 59 L 7.82 3.78 0.00 1.83 1.83 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.78 3.93 0.00 2.03 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 2.24 2.25 0.00 61 L 7.59 3.92 0.00 1.80 1.71 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.98 3.80 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.80 0.94 0.00 0.00 63 K 7.78 4.13 0.00 1.85 1.81 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 64 V 7.79 3.92 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 0.82 0.00 0.00 0.91 0.00 0.00 65 R 7.34 4.50 0.00 1.89 1.83 0.00 3.15 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 66 R 8.39 4.69 0.00 1.79 1.87 0.00 3.24 0.00 0.00 3.92 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 67 P 0.00 3.98 0.00 2.26 2.05 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 *71 H 8.15 4.65 0.00 3.25 3.40 0.00 5.71 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.78 4.20 0.00 1.78 1.82 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.41 7.81 73 E 8.43 4.29 0.00 1.92 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 0.00 2.29 2.30 0.00 74 Q 7.75 4.61 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 75 I 7.66 3.97 1.84 0.00 0.00 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 1.26 0.52 0.91 0.00 0.00 76 E 8.24 4.03 0.00 2.11 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 2.47 0.00 77 A 7.86 4.03 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 78 V 7.64 3.65 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 0.80 0.00 0.00 1.28 0.00 0.00 79 K 8.36 3.92 0.00 2.11 2.18 0.00 1.73 0.00 0.00 1.95 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.63 7.81 80 D 7.98 4.33 0.00 2.92 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 81 N 8.63 4.41 0.00 2.71 2.84 0.00 0.00 6.70 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.61 4.16 0.00 2.99 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 83 L 7.51 3.76 0.00 1.80 1.70 1.18 0.89 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 84 E 8.23 3.91 0.00 2.05 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 2.30 2.34 0.00 85 L 8.03 3.80 0.00 1.74 1.64 0.87 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.43 3.44 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 0.88 0.00 0.00 0.35 0.00 0.00 87 L 8.16 4.23 0.00 1.90 1.86 1.03 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.47 4.29 0.00 2.44 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.64 2.68 0.00 89 S 8.00 4.48 0.00 4.06 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 90 Y 7.58 4.35 0.00 3.14 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 91 V 8.11 3.81 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 1.11 0.00 0.00 92 H 8.36 4.30 0.00 2.75 3.18 0.00 5.74 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 9.01 4.52 0.00 3.29 3.45 0.00 5.86 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 94 I 7.95 4.01 1.97 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.72 1.00 0.00 0.00 95 H 8.56 4.64 0.00 3.25 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.74 4.22 0.00 1.98 1.91 0.00 1.83 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.63 7.81 97 K 8.06 3.94 0.00 1.91 1.85 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.71 1.52 7.81 98 R 8.03 4.01 0.00 1.99 2.10 0.00 3.27 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 99 F 8.38 3.82 0.00 2.83 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 0.00 100 K 8.32 3.90 0.00 2.03 2.03 0.00 1.58 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.69 7.81 101 D 8.26 4.32 0.00 2.84 2.67 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 0.00 0.00 0.00 0.00 102 I 7.54 3.63 1.65 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 1.44 0.79 0.74 0.00 0.00 103 T 7.56 3.66 4.19 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 1.15 0.00 0.00 104 E 8.18 3.94 0.00 1.98 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 2.31 2.48 0.00 105 S 7.92 4.09 0.00 3.99 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 0.00 106 V 8.05 3.53 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 0.99 0.00 0.00 0.94 0.00 0.00 107 L 8.16 3.99 0.00 1.84 1.79 0.94 0.96 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 0.00 108 Y 8.24 4.13 0.00 3.11 3.22 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 0.00 109 T 7.92 3.62 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 1.33 0.00 0.00 110 L 7.91 3.96 0.00 1.70 1.51 0.61 0.09 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 0.00 111 H 8.44 4.19 0.00 3.27 3.32 0.00 5.82 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 0.00 112 A 7.79 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.00 3.57 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 0.99 0.00 0.00 1.03 0.00 0.00 114 K 8.36 3.99 0.00 1.82 1.98 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 115 D 8.03 4.48 0.00 2.82 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 0.00 116 E 8.12 4.11 0.00 2.05 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 2.30 2.37 0.00 117 I 7.08 4.26 1.87 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 1.42 0.90 0.90 0.00 0.00 118 A 7.51 4.53 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 0.00 119 R 8.24 4.10 0.00 1.80 1.86 0.00 3.39 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 1.62 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.