NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6624 8.1927 115.5792 58.6413 65.1990 172.3478 2 F 4.3107 8.6602 123.1991 56.4317 41.9955 172.0499 3 A 3.9114 8.4323 128.2665 54.1020 18.7941 176.9067 4 G 3.8946 9.0786 110.0861 45.5018 0.0000 173.2467 *6 L 4.8005 7.2966 116.8441 54.3408 43.0464 176.4993 7 K 4.2761 8.2560 120.9272 55.9458 33.7505 177.1950 8 D 4.4537 8.9155 126.3599 57.8342 40.8576 179.0483 9 A 4.0769 7.9819 120.4461 55.1386 18.3254 179.3198 10 D 4.2511 8.0154 117.1238 57.3507 40.9378 178.8683 11 V 3.4632 7.9022 118.5314 66.0482 31.5794 177.9591 12 A 4.0174 8.4796 120.6756 55.0985 18.2013 179.5056 13 A 3.9147 8.2385 119.1729 55.1747 18.2230 179.7148 14 A 3.8325 7.8879 118.5733 55.2094 18.4165 179.5753 15 L 4.2784 8.2622 117.4462 57.9576 41.8526 179.5602 16 A 4.0239 8.3057 120.6066 55.1195 18.0993 179.4873 17 A 4.1626 8.0539 118.3370 53.9924 18.4007 177.8911 18 C 5.3087 7.7100 111.2775 57.0881 30.1227 175.5738 19 S 4.1996 8.0121 117.5094 61.8494 62.9355 174.7782 20 A 4.1768 7.8912 123.7426 50.8754 18.9947 176.3954 21 A 4.2280 8.3990 125.3785 53.9105 18.8596 177.5191 22 D 4.7192 9.0452 120.4333 54.7432 38.5730 174.9664 23 S 4.5090 7.9616 113.8617 58.3234 63.8659 174.0319 24 F 4.4228 8.4666 124.7456 58.1451 39.6477 175.1592 25 K 3.9391 7.4266 126.0378 53.6743 34.9166 176.5598 26 H 2.5800 7.4193 121.6793 58.2119 28.0231 177.5505 27 K 3.5608 6.7496 120.3271 58.7402 31.7990 179.1175 28 E 3.8066 7.5032 118.5831 59.0924 29.3480 178.8241 29 F 3.8075 7.8562 120.9697 61.2872 39.4291 176.9994 30 F 4.4862 8.0121 117.4606 60.6825 38.7847 177.6469 31 A 3.9411 7.8549 119.6804 55.1655 18.0621 179.6496 32 K 3.8003 7.8209 117.2980 59.5353 32.3129 178.3406 33 V 3.5640 7.4922 110.2956 62.0930 31.7156 177.0171 34 G 4.0752 7.8951 108.3140 45.0119 0.0000 175.6912 35 L 3.9971 8.0294 119.8491 57.5819 41.9006 179.1583 36 A 4.2479 7.8948 120.0879 54.1345 18.3266 178.2163 37 S 4.5359 7.5755 110.1264 58.8228 63.5243 174.8824 38 K 4.3153 7.6295 120.5143 55.4092 32.6858 177.5818 39 S 4.3419 8.3932 116.2291 58.2612 64.7631 175.0815 40 L 3.9198 8.4664 124.0435 58.4287 41.8824 178.5179 41 D 4.3952 8.2004 117.3621 57.8555 41.2325 178.1252 42 D 4.4903 8.0402 118.8127 57.2190 40.7962 178.9413 43 V 3.8001 8.2511 119.2511 65.9195 31.3763 178.1516 44 K 4.0756 8.5072 118.5311 59.5629 31.7918 179.2924 45 K 4.1638 8.2786 118.2615 59.6220 31.9807 179.1914 46 A 4.3761 8.3030 120.7141 55.0520 18.3150 179.2114 47 F 2.8467 8.1982 119.1993 61.6132 39.1082 177.1975 48 Y 3.8131 7.4221 114.4174 60.5371 37.6342 178.3893 49 V 3.6617 7.3233 118.9788 66.1004 31.7556 177.9030 50 I 3.9152 7.3251 118.2648 63.4227 38.3538 177.3591 51 D 4.6095 7.4385 120.1731 53.8178 37.8360 176.3375 52 Q 3.9513 8.0678 122.5665 58.0112 29.3657 177.0396 53 D 4.6032 8.2947 114.9654 52.4669 39.7331 176.2447 54 K 4.0029 7.8159 118.0426 57.9077 29.8868 176.6123 55 S 4.3373 8.3741 113.3412 59.1455 63.5313 175.1327 56 G 4.0197 9.4651 110.1374 45.0215 0.0000 173.1396 57 F 5.2116 7.6898 116.2427 55.7418 43.4805 174.7824 58 I 4.8952 9.0167 123.1769 59.9616 38.0093 175.8366 59 E 4.6391 8.8285 127.1955 55.1744 31.1483 177.6252 60 E 3.8950 8.8214 120.7560 59.6136 29.6550 178.3655 61 D 4.3703 8.0535 118.7071 56.4856 39.4400 178.2364 62 E 4.0808 8.0994 119.3684 58.7529 29.5681 179.0352 63 L 3.8776 7.8233 119.4951 57.5840 41.6200 179.2016 64 K 4.0644 8.3484 121.3048 58.2501 32.0194 177.7406 65 L 4.6788 7.5924 117.1494 54.4928 42.2425 178.0107 66 F 4.2874 8.1414 124.1242 61.9279 39.2253 177.2772 67 L 4.0724 7.9664 117.3046 57.4723 40.5089 179.1474 68 Q 4.3621 8.2351 118.0153 58.5365 28.3419 178.0513 69 N 4.4459 7.9163 116.2103 55.2322 38.5407 176.2760 70 F 4.8453 8.0103 119.4047 56.8165 40.4754 176.3265 71 S 4.6364 7.4166 109.9282 56.1426 65.4711 173.0992 72 P 4.2726 0.0000 0.0000 65.5239 31.1008 177.1011 73 S 4.4283 7.9733 110.6420 58.1077 63.5831 174.1174 74 A 4.2200 7.7505 124.8122 51.9159 18.7050 177.8010 75 R 4.1048 8.2519 116.1230 55.6129 30.3210 176.5092 76 A 4.3315 8.2027 120.9109 51.8952 19.1141 177.5383 77 L 4.3202 8.5919 121.3183 54.6806 42.5117 177.5159 78 T 4.1075 9.2904 113.0815 61.5219 69.9558 175.1315 79 D 4.3445 8.9032 121.7333 57.4567 40.7548 179.0573 80 A 4.0064 7.9385 120.6959 55.2970 18.5185 179.3435 81 E 4.0356 8.3779 117.1552 59.8061 29.3572 179.7554 82 T 3.9554 8.2817 116.0405 66.8325 68.5589 176.9681 83 K 4.0299 8.3115 120.0303 59.1793 32.0169 179.4164 84 A 4.0289 8.2493 121.4003 54.9083 18.4061 179.3296 85 F 3.9804 8.4450 119.2495 61.3660 39.4801 177.0010 86 L 3.9037 8.1920 119.6457 58.3117 41.7066 178.8452 87 A 4.0343 8.0025 119.2648 55.2043 18.3539 178.8019 88 D 4.5456 8.2828 116.0277 57.0856 41.4138 178.0418 89 G 3.9879 8.0092 104.4668 45.6392 0.0000 174.5776 90 D 4.8353 7.8680 121.9790 52.9756 38.1492 176.0768 91 K 4.1292 8.0647 121.2066 58.3161 32.8419 177.8148 92 D 4.6467 8.4498 116.3781 52.4662 39.9168 177.2754 93 G 3.8979 8.2146 107.8281 46.2622 0.0000 173.9257 94 D 4.4572 8.0967 117.0276 53.1372 39.5984 177.4257 95 G 3.9032 9.5882 108.5187 45.8989 0.0000 172.6733 96 M 4.9457 7.9984 117.4305 53.8059 37.0850 174.2468 97 I 4.8069 8.9403 120.6946 59.8853 40.1162 176.4816 98 G 4.1988 9.3636 115.2814 44.7292 0.0000 175.0131 99 V 2.0000 7.3523 118.9701 64.3551 31.0097 178.1955 100 D 4.2596 7.7017 119.0950 56.9261 40.8380 178.4130 101 E 3.9916 8.0475 118.7626 59.1802 29.1443 178.9673 102 F 4.1859 8.4962 120.7231 61.3727 39.4639 177.0620 103 A 3.8936 8.3318 120.3076 55.0889 17.9975 179.4303 104 A 3.9224 8.1810 119.3449 55.6105 18.1932 179.8279 105 M 4.0303 7.7467 116.0811 58.2998 32.3796 178.5384 106 I 3.8068 7.0934 119.3970 62.8995 37.2298 177.4114 107 K 4.3941 7.8316 116.4084 55.7820 32.2258 176.4176 108 A 4.1630 7.3462 127.8819 52.8193 18.2128 177.9794 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 1 S 8.19 4.66 0.00 4.07 4.12 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 2 F 8.66 4.31 0.00 3.13 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 3 A 8.43 3.91 1.11 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 0.00 0.00 4 G 9.08 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 *6 L 7.30 4.80 0.00 2.00 1.89 1.09 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.26 4.28 0.00 1.85 1.86 0.00 1.75 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.55 7.81 8 D 8.92 4.45 0.00 2.76 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 9 A 7.98 4.08 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 10 D 8.02 4.25 0.00 2.85 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 11 V 7.90 3.46 2.32 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 1.39 0.00 0.00 1.12 0.00 0.00 12 A 8.48 4.02 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 13 A 8.24 3.91 1.33 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 0.00 0.00 14 A 7.89 3.83 0.71 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 0.00 0.00 15 L 8.26 4.28 0.00 1.94 1.83 1.08 0.94 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 16 A 8.31 4.02 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 17 A 8.05 4.16 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 18 C 7.71 5.31 0.00 3.25 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 19 S 8.01 4.20 0.00 4.07 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 0.00 20 A 7.89 4.18 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 21 A 8.40 4.23 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 22 D 9.05 4.72 0.00 2.88 2.87 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 23 S 7.96 4.51 0.00 4.02 4.11 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 24 F 8.47 4.42 0.00 2.90 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 25 K 7.43 3.94 0.00 1.43 1.31 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.22 1.44 7.81 26 H 7.42 2.58 0.00 1.59 1.80 0.00 5.46 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 27 K 6.75 3.56 0.00 1.52 1.78 0.00 1.57 0.00 0.00 1.79 0.00 0.00 3.18 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.65 1.29 7.81 28 E 7.50 3.81 0.00 1.88 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 2.25 2.14 0.00 29 F 7.86 3.81 0.00 2.71 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 30 F 8.01 4.49 0.00 3.15 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 31 A 7.85 3.94 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 32 K 7.82 3.80 0.00 1.64 1.58 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.30 7.81 33 V 7.49 3.56 1.95 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 -0.30 0.00 0.00 0.88 0.00 0.00 34 G 7.90 4.08 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 0.00 0.00 0.00 35 L 8.03 4.00 0.00 1.93 1.71 1.12 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.89 4.25 1.34 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 0.00 0.00 37 S 7.58 4.54 0.00 3.97 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 38 K 7.63 4.32 0.00 1.97 1.80 0.00 1.96 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.71 1.61 7.81 39 S 8.39 4.34 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 40 L 8.47 3.92 0.00 1.79 1.73 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.20 4.40 0.00 2.86 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 42 D 8.04 4.49 0.00 2.91 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 43 V 8.25 3.80 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 1.09 0.00 0.00 0.97 0.00 0.00 44 K 8.51 4.08 0.00 2.16 2.09 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.74 7.81 45 K 8.28 4.16 0.00 2.15 1.97 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.54 1.79 7.81 46 A 8.30 4.38 1.82 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 0.00 0.00 47 F 8.20 2.85 0.00 2.58 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 48 Y 7.42 3.81 0.00 3.02 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 49 V 7.32 3.66 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 0.62 0.00 0.00 0.83 0.00 0.00 50 I 7.33 3.92 1.60 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.24 1.08 0.00 0.00 51 D 7.44 4.61 0.00 1.99 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 0.00 0.00 0.00 0.00 52 Q 8.07 3.95 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 53 D 8.29 4.60 0.00 2.80 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 54 K 7.82 4.00 0.00 1.96 1.95 0.00 1.70 0.00 0.00 1.85 0.00 0.00 3.24 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.49 7.81 55 S 8.37 4.34 0.00 4.15 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 56 G 9.47 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 0.00 0.00 0.00 57 F 7.69 5.21 0.00 3.13 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 58 I 9.02 4.90 1.91 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.28 0.84 0.00 0.00 59 E 8.83 4.64 0.00 2.11 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 2.37 2.36 0.00 60 E 8.82 3.90 0.00 2.01 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 2.36 2.35 0.00 61 D 8.05 4.37 0.00 2.90 2.91 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 0.00 0.00 0.00 62 E 8.10 4.08 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 2.37 2.38 0.00 63 L 7.82 3.88 0.00 1.76 1.47 0.68 -0.33 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 64 K 8.35 4.06 0.00 1.79 1.96 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.52 7.81 65 L 7.59 4.68 0.00 1.77 1.78 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.14 4.29 0.00 3.28 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 67 L 7.97 4.07 0.00 1.86 1.73 0.87 0.67 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 68 Q 8.24 4.36 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.41 0.00 69 N 7.92 4.45 0.00 2.44 2.73 0.00 0.00 6.91 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.01 4.85 0.00 3.25 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 71 S 7.42 4.64 0.00 3.92 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 0.00 72 P 0.00 4.27 0.00 2.22 2.18 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 73 S 7.97 4.43 0.00 4.02 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 74 A 7.75 4.22 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.25 4.10 0.00 1.93 1.96 0.00 3.05 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 76 A 8.20 4.33 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 77 L 8.59 4.32 0.00 1.46 1.54 0.70 -0.07 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 78 T 9.29 4.11 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 1.26 0.00 0.00 79 D 8.90 4.34 0.00 2.71 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 80 A 7.94 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.38 4.04 0.00 2.21 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 0.00 2.47 2.56 0.00 82 T 8.28 3.96 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 1.24 0.00 0.00 83 K 8.31 4.03 0.00 1.89 1.88 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.61 7.81 84 A 8.25 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.44 3.98 0.00 3.15 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 86 L 8.19 3.90 0.00 1.78 1.83 0.96 0.83 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 87 A 8.00 4.03 1.36 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 0.00 0.00 88 D 8.28 4.55 0.00 2.86 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 89 G 8.01 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 0.00 0.00 0.00 90 D 7.87 4.84 0.00 2.76 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 91 K 8.06 4.13 0.00 1.82 1.89 0.00 1.82 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.48 1.40 7.81 92 D 8.45 4.65 0.00 2.78 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 93 G 8.21 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 94 D 8.10 4.46 0.00 2.69 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 95 G 9.59 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 96 M 8.00 4.95 0.00 1.92 1.75 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 97 I 8.94 4.81 2.00 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 1.25 0.71 1.17 0.00 0.00 98 G 9.36 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 0.00 0.00 0.00 0.00 99 V 7.35 2.00 0.75 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 0.55 0.00 0.00 0.47 0.00 0.00 100 D 7.70 4.26 0.00 2.65 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 0.00 101 E 8.05 3.99 0.00 2.24 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 0.00 2.44 2.40 0.00 102 F 8.50 4.19 0.00 3.29 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 0.00 103 A 8.33 3.89 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 0.00 104 A 8.18 3.92 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.75 4.03 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.75 0.00 106 I 7.09 3.81 1.59 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 -0.11 0.69 0.00 0.00 107 K 7.83 4.39 0.00 1.77 1.80 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.49 7.81 108 A 7.35 4.16 1.34 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.