NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.8747 8.0932 114.7976 57.6771 64.5690 174.2057 2 L 4.0099 8.5693 120.8619 57.2287 41.0525 178.3677 3 L 3.9879 8.4937 121.5894 58.0895 42.3401 178.5860 4 E 3.9957 7.8839 118.0569 59.2587 29.3691 178.6541 5 F 4.6229 8.6751 121.2604 61.6099 39.4770 177.3116 6 G 3.4729 8.2373 105.1158 47.6184 0.0000 175.3600 7 K 3.9496 7.9063 121.8475 59.3701 32.1427 178.2588 8 M 3.9837 8.0695 118.3671 59.0576 32.1230 178.1875 9 I 3.5291 7.7431 119.8517 64.3659 37.1329 178.1706 10 L 4.4089 7.8588 122.3092 57.0940 41.6329 178.9656 11 E 3.9553 8.0069 118.1803 59.4960 29.7440 178.6751 12 E 4.2487 8.3095 116.4020 57.9342 29.7625 177.5267 13 T 4.3903 7.6310 106.3994 60.2155 70.7590 175.3273 14 G 3.7723 7.9197 109.6977 45.7733 0.0000 173.0617 *16 K 4.8310 7.4142 117.5515 56.0294 33.5966 174.8546 17 L 4.2556 8.1401 120.9515 54.0292 42.6610 177.2986 18 A 3.9754 8.6956 126.9977 55.0289 18.4066 176.8255 19 I 4.6136 7.5750 115.6222 59.2569 38.0533 174.1022 20 P 5.2213 0.0000 0.0000 62.3926 32.5642 177.4848 21 S 4.0135 7.4998 114.8889 61.5900 62.4430 174.9760 22 Y 4.5108 8.4639 115.0411 57.5016 39.0779 177.5978 23 S 3.9267 7.7306 115.0393 60.5384 63.2090 176.3488 24 S 4.5860 7.4463 114.7679 58.3987 63.1599 173.5155 25 Y 4.5085 7.7679 121.5787 58.5100 39.8933 176.1314 26 G 4.0339 7.8078 114.6662 47.3230 0.0000 172.7714 27 C 4.6414 9.5860 116.3221 57.4006 41.1047 173.8340 28 Y 4.4766 8.5757 115.2024 57.5666 39.4830 174.9099 29 C 4.6503 7.9119 117.9511 57.6327 42.3274 171.6666 30 G 3.3708 9.1346 113.0232 44.6044 0.0000 174.4840 31 W 4.4458 6.9211 121.5771 55.0526 30.4417 175.5083 32 G 3.9039 10.7605 113.8152 43.6174 0.0000 178.3774 33 G 3.6233 9.5457 108.0196 46.0273 0.0000 176.8242 34 K 4.3734 8.8549 118.0507 56.3427 34.3888 175.8128 35 G 4.2831 8.1042 106.1199 44.5224 0.0000 173.6299 36 T 4.4009 8.1128 115.5998 60.7284 68.2801 172.8876 37 P 4.4243 0.0000 0.0000 62.8422 31.7183 177.5226 38 K 3.8331 8.9164 123.1194 59.0941 32.3428 176.0702 39 D 4.2070 7.3232 113.2514 51.8748 42.8990 175.5106 40 A 3.9143 8.8236 119.7538 56.5908 18.4562 179.4915 41 T 4.0751 7.9609 112.2648 67.0167 68.7240 176.0282 42 D 4.4560 8.1817 119.2743 57.5561 41.0745 178.5613 43 R 3.9522 8.5531 118.7576 59.4959 30.0773 177.8904 44 C 4.0719 8.0596 115.7199 60.6628 40.7603 175.4810 45 C 4.1355 8.5191 117.0523 60.2570 40.9412 175.9942 46 F 3.8578 8.2420 121.7980 61.2690 38.7203 177.2932 47 V 3.1822 7.7914 117.7525 66.1595 31.2486 177.2372 48 H 3.8332 8.6032 118.1748 59.3069 29.3331 176.8153 49 D 4.1303 7.8267 119.6080 57.4601 40.9442 177.8382 50 C 4.1890 7.6962 116.8634 60.1722 38.4368 175.0925 51 C 3.9191 8.7922 120.9479 60.3306 39.8862 175.4385 52 Y 4.2053 8.2702 118.1961 60.7435 37.2170 178.2995 53 G 3.6489 7.9881 106.2576 47.7306 0.0000 175.2661 54 N 4.6647 7.6396 116.1134 54.1835 39.3464 175.3781 55 L 4.5491 7.1720 120.6378 51.8614 41.3153 174.4542 56 P 4.1796 0.0000 0.0000 64.7690 31.7619 175.5473 *59 D 5.1766 7.5910 115.9341 54.2751 41.0427 174.6506 *61 C 4.3380 7.8283 120.7526 56.6443 40.4639 173.1377 *67 N 4.9453 8.3284 116.5900 53.2196 38.8386 173.8506 68 P 3.9246 0.0000 0.0000 65.5964 31.9480 179.3638 69 K 4.3405 7.9319 116.4816 57.5418 32.2412 177.6879 70 S 4.4227 9.1075 111.6625 58.8880 65.1581 174.0293 71 D 4.2970 8.2066 120.0221 54.4951 41.0114 175.6319 72 R 4.6600 8.6825 125.5078 54.9126 31.1567 175.2968 73 Y 5.0058 7.8414 118.5077 55.2197 41.5933 174.1620 74 K 4.9250 8.5667 119.3132 55.2102 34.7157 175.1348 75 Y 5.4644 8.1894 120.6519 55.7254 41.0696 173.9325 76 K 4.4399 8.8784 120.8020 55.0421 35.6971 177.3078 77 R 3.6978 8.9141 122.5715 58.7717 30.4784 176.7730 78 V 2.9080 8.6137 113.4923 64.6341 28.9291 171.4849 79 N 4.1619 9.0277 120.2141 52.8434 36.4687 174.0293 80 G 3.4262 7.0784 114.5602 45.0015 0.0000 174.5435 81 A 4.7794 7.5311 122.0972 50.1497 21.4145 175.6700 82 I 4.3510 8.0522 120.9692 60.6785 38.7381 175.6909 83 V 4.3994 8.5251 125.3137 61.3191 34.2249 173.5881 84 C 5.0301 8.9216 125.7813 56.5212 41.0522 173.3554 85 E 4.6184 8.5891 123.2884 54.1596 31.6778 175.8238 86 K 3.7443 8.5363 121.9913 57.0518 32.7320 175.1920 *88 G 4.2143 8.2532 117.3392 45.4575 0.0000 172.1553 89 T 4.2480 8.2150 111.9999 60.8370 71.2033 175.5813 90 S 4.0629 8.6093 117.6911 62.2309 62.6038 177.2529 91 C 4.0718 8.2174 119.9225 59.7102 40.3090 175.9331 92 E 3.9204 7.7826 118.7486 59.5372 29.0190 179.3725 93 N 4.2163 8.3340 116.4885 56.4699 38.7233 177.1095 94 R 3.7514 8.4017 119.4401 59.6800 30.0899 178.6509 95 I 3.4999 8.0618 119.1460 64.7590 37.2768 177.4733 96 C 3.2335 7.5487 118.7375 59.5283 43.7003 175.4762 97 E 3.7826 7.8486 119.8337 59.5537 28.9119 178.3640 98 C 4.0339 7.8002 115.8998 60.3346 40.2738 175.9457 99 D 3.8770 8.1446 119.9437 57.2430 40.4080 178.5632 100 K 3.6873 8.2592 120.1751 59.7168 31.9567 178.0522 101 A 3.8425 8.0796 120.4462 55.2079 18.2228 179.2387 102 A 3.5163 7.5686 118.3250 55.0773 18.3923 179.4931 103 A 3.7030 7.9881 119.2484 55.3746 18.4118 179.8327 104 I 3.5230 7.7452 118.2322 64.8309 37.0378 177.7854 105 C 4.1127 8.3605 118.5155 59.5067 44.4417 175.6534 106 F 4.6592 7.8720 119.7220 60.4862 38.2452 177.3540 107 R 3.9004 7.8935 118.3416 59.9549 29.5690 178.0708 108 Q 4.0897 8.3942 116.3361 58.3514 28.5608 177.9429 109 N 5.1006 8.1548 116.3553 52.7814 39.5768 177.0147 110 L 4.0975 7.8041 121.1418 58.0414 41.8403 179.6078 111 N 4.5295 8.2689 114.7465 55.5090 38.5966 175.5432 112 T 4.5003 7.4170 105.9528 61.1735 69.4653 174.2561 113 Y 4.3745 7.7751 124.5275 57.9290 39.7332 175.1734 114 S 4.6052 7.9320 119.7356 56.8912 65.9710 174.8647 115 K 4.0785 8.5749 121.6569 57.0824 31.8947 178.7133 116 K 3.8601 7.2689 118.3478 58.7289 33.0696 177.3661 117 Y 4.5074 7.2162 115.3787 57.6835 38.3878 176.9370 118 M 3.4979 7.1542 120.8955 58.2847 32.3319 177.9277 119 L 4.5187 7.4449 115.2081 54.7330 42.1367 175.3739 120 Y 3.8315 7.7300 119.8784 56.6206 38.3643 174.5129 121 P 4.2461 0.0000 0.0000 62.0563 32.2709 176.1451 122 D 4.2918 8.4108 120.7125 56.1209 39.4083 176.3687 *124 F 4.6644 7.6871 112.8570 57.2782 38.6157 174.2497 125 L 4.3474 9.2076 127.7697 55.4540 40.7044 174.4987 126 C 4.9129 8.0440 114.4572 54.4878 38.1106 173.5285 127 K 4.4800 8.0618 123.7486 55.8237 33.5238 176.8448 128 G 4.2606 8.7281 109.3760 45.6751 0.0000 173.5601 129 E 4.6789 8.2863 124.4796 54.2682 28.5317 174.9626 130 L 4.0832 7.7580 119.9485 54.6396 42.8801 177.8181 131 K 4.3652 8.4547 122.9730 55.5458 33.7985 177.6338 *133 C 4.8411 8.4061 115.8018 57.6090 41.5305 174.1711 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 8.09 4.87 0.00 4.03 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 2 L 8.57 4.01 0.00 1.91 1.88 1.13 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.49 3.99 0.00 1.77 1.64 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 4 E 7.88 4.00 0.00 1.70 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.33 0.00 5 F 8.68 4.62 0.00 3.10 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 6 G 8.24 3.47 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 0.00 7 K 7.91 3.95 0.00 1.88 2.18 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.79 1.53 7.81 8 M 8.07 3.98 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.46 0.00 9 I 7.74 3.53 1.71 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.60 0.40 0.00 0.00 10 L 7.86 4.41 0.00 1.75 1.80 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.01 3.96 0.00 2.19 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 2.40 2.65 0.00 12 E 8.31 4.25 0.00 1.91 1.99 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 2.35 2.44 0.00 13 T 7.63 4.39 4.23 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 1.24 0.00 0.00 14 G 7.92 3.77 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 0.00 0.00 0.00 *16 K 7.41 4.83 0.00 1.94 1.76 0.00 1.49 0.00 0.00 1.09 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.31 7.81 17 L 8.14 4.26 0.00 1.72 1.59 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.70 3.98 1.23 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 0.00 0.00 19 I 7.58 4.61 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.95 0.96 0.00 0.00 20 P 0.00 5.22 0.00 2.24 2.32 0.00 3.92 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 21 S 7.50 4.01 0.00 4.46 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.46 4.51 0.00 2.68 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 23 S 7.73 3.93 0.00 3.87 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 24 S 7.45 4.59 0.00 4.05 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 25 Y 7.77 4.51 0.00 3.07 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 26 G 7.81 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 0.00 0.00 0.00 27 C 9.59 4.64 0.00 2.88 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 28 Y 8.58 4.48 0.00 3.26 3.04 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 0.00 0.00 0.00 29 C 7.91 4.65 0.00 3.19 3.29 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 30 G 9.13 3.37 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 31 W 6.92 4.45 0.00 3.45 3.17 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 32 G 10.76 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 33 G 9.55 3.62 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 0.00 0.00 0.00 34 K 8.85 4.37 0.00 2.04 1.85 0.00 1.76 0.00 0.00 1.98 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.42 7.81 35 G 8.10 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 36 T 8.11 4.40 4.23 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 1.16 0.00 0.00 37 P 0.00 4.42 0.00 2.05 2.00 0.00 3.41 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 38 K 8.92 3.83 0.00 1.12 0.74 0.00 1.58 0.00 0.00 1.44 0.00 0.00 2.97 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.76 0.26 7.81 39 D 7.32 4.21 0.00 2.78 2.60 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 40 A 8.82 3.91 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 41 T 7.96 4.08 3.94 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 0.00 0.00 1.03 0.00 0.00 42 D 8.18 4.46 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 43 R 8.55 3.95 0.00 2.08 1.99 0.00 3.18 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.85 0.00 44 C 8.06 4.07 0.00 3.17 2.94 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 0.00 0.00 0.00 45 C 8.52 4.14 0.00 3.35 3.48 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 46 F 8.24 3.86 0.00 2.67 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 47 V 7.79 3.18 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 0.81 0.00 0.00 1.03 0.00 0.00 48 H 8.60 3.83 0.00 2.95 3.24 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.83 4.13 0.00 2.80 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 50 C 7.70 4.19 0.00 2.82 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 51 C 8.79 3.92 0.00 2.79 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 52 Y 8.27 4.21 0.00 3.07 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 53 G 7.99 3.65 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 0.00 0.00 0.00 54 N 7.64 4.66 0.00 2.89 2.85 0.00 0.00 6.87 7.73 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 55 L 7.17 4.55 0.00 1.51 1.51 0.81 1.01 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 56 P 0.00 4.18 0.00 2.16 2.08 0.00 3.59 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 *59 D 7.59 5.18 0.00 2.61 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 *61 C 7.83 4.34 0.00 2.94 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 N 8.33 4.95 0.00 2.76 2.80 0.00 0.00 7.34 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 68 P 0.00 3.92 0.00 1.16 0.86 0.00 3.68 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.58 0.00 69 K 7.93 4.34 0.00 1.82 1.98 0.00 1.80 0.00 0.00 1.86 0.00 0.00 3.21 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.59 1.59 7.81 70 S 9.11 4.42 0.00 3.74 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 71 D 8.21 4.30 0.00 2.77 2.69 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 0.00 0.00 0.00 0.00 72 R 8.68 4.66 0.00 1.83 1.79 0.00 3.24 0.00 0.00 2.46 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 73 Y 7.84 5.01 0.00 2.97 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 74 K 8.57 4.92 0.00 1.77 1.77 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.39 7.81 75 Y 8.19 5.46 0.00 3.14 3.14 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 76 K 8.88 4.44 0.00 1.75 1.82 0.00 1.31 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.62 1.35 7.81 77 R 8.91 3.70 0.00 1.82 2.02 0.00 3.48 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 78 V 8.61 2.91 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 0.92 0.00 0.00 0.94 0.00 0.00 79 N 9.03 4.16 0.00 2.81 2.96 0.00 0.00 7.21 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 80 G 7.08 3.43 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 81 A 7.53 4.78 1.23 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 0.00 0.00 82 I 8.05 4.35 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.63 0.92 0.00 0.00 83 V 8.53 4.40 2.25 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 1.01 0.00 0.00 0.96 0.00 0.00 84 C 8.92 5.03 0.00 2.85 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 85 E 8.59 4.62 0.00 1.91 1.90 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 2.31 2.30 0.00 86 K 8.54 3.74 0.00 1.78 1.73 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.44 7.81 *88 G 8.25 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.21 4.25 4.23 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 1.21 0.00 0.00 90 S 8.61 4.06 0.00 4.03 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 91 C 8.22 4.07 0.00 2.96 3.15 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 0.00 92 E 7.78 3.92 0.00 2.20 2.09 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 2.39 2.37 0.00 93 N 8.33 4.22 0.00 2.78 2.79 0.00 0.00 7.01 7.28 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 94 R 8.40 3.75 0.00 1.96 1.88 0.00 3.21 0.00 0.00 3.10 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 95 I 8.06 3.50 1.81 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.71 0.94 0.00 0.00 96 C 7.55 3.23 0.00 1.89 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 97 E 7.85 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 2.38 2.42 0.00 98 C 7.80 4.03 0.00 3.26 3.06 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 0.00 99 D 8.14 3.88 0.00 2.76 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 0.00 100 K 8.26 3.69 0.00 1.72 1.98 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.43 7.81 101 A 8.08 3.84 1.27 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 0.00 0.00 102 A 7.57 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.99 3.70 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.75 3.52 1.98 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 1.53 0.97 0.86 0.00 0.00 105 C 8.36 4.11 0.00 2.82 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 0.00 106 F 7.87 4.66 0.00 3.04 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 0.00 107 R 7.89 3.90 0.00 2.12 2.13 0.00 3.45 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 108 Q 8.39 4.09 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.19 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 109 N 8.15 5.10 0.00 2.95 2.87 0.00 0.00 7.03 6.42 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 0.00 110 L 7.80 4.10 0.00 1.75 1.74 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.27 4.53 0.00 2.76 2.93 0.00 0.00 6.79 7.54 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 0.00 112 T 7.42 4.50 4.31 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 0.00 0.00 0.00 1.27 0.00 0.00 113 Y 7.78 4.37 0.00 3.01 3.10 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 0.00 114 S 7.93 4.61 0.00 3.95 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 0.00 115 K 8.57 4.08 0.00 1.77 1.80 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.43 7.81 116 K 7.27 3.86 0.00 1.66 1.69 0.00 0.61 0.00 0.00 1.27 0.00 0.00 2.15 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.89 0.25 7.81 117 Y 7.22 4.51 0.00 2.59 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 0.00 0.00 0.00 0.00 118 M 7.15 3.50 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 119 L 7.44 4.52 0.00 1.62 1.64 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.73 3.83 0.00 3.01 3.03 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 0.00 121 P 0.00 4.25 0.00 0.50 1.59 0.00 3.00 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.54 0.00 122 D 8.41 4.29 0.00 2.86 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 *124 F 7.69 4.66 0.00 3.21 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 0.00 125 L 9.21 4.35 0.00 1.62 2.16 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.04 4.91 0.00 3.03 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 0.00 127 K 8.06 4.48 0.00 1.81 1.74 0.00 1.69 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.40 7.81 128 G 8.73 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 0.00 0.00 0.00 0.00 129 E 8.29 4.68 0.00 1.95 1.92 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 2.25 2.43 0.00 130 L 7.76 4.08 0.00 1.94 1.50 0.57 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.45 4.37 0.00 1.87 1.80 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.63 7.81 *133 C 8.41 4.84 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.