NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.3965 8.1593 117.3889 62.6307 70.9927 173.1333 5 R 3.9913 6.9428 117.8272 53.4586 32.7078 173.7197 6 G 3.1042 6.0300 106.5668 45.6335 0.0000 172.1794 7 F 5.5231 8.1001 116.8010 55.8430 42.1099 175.0490 8 E 4.9988 9.2986 119.7214 54.3826 34.0747 175.1591 9 L 4.7033 8.6706 122.6520 54.7419 42.6237 177.3436 10 I 4.2303 8.6448 116.8636 60.3938 38.4582 177.2497 11 T 3.9360 8.6164 111.5337 64.6822 68.5457 175.5026 12 D 4.3523 7.9918 120.2354 55.8151 41.1274 175.5818 13 Y 4.7907 7.7688 116.4327 56.3471 41.2332 175.2787 14 T 4.4960 8.4590 110.2774 60.9308 70.3799 173.3601 15 D 4.5141 8.0441 123.1108 53.9347 40.9674 176.3359 16 E 4.1740 8.7297 127.1321 58.2579 29.7946 178.7544 17 N 4.3835 8.4912 117.5208 56.1604 39.0321 175.7142 18 L 4.1037 7.7996 116.7074 56.2012 42.0067 177.1698 19 L 4.0660 7.5320 120.0264 53.8394 41.7855 175.2477 20 P 4.7071 0.0000 0.0000 61.9321 32.0994 175.6727 21 K 5.0530 8.4344 120.6581 55.2026 36.7188 175.1348 22 R 4.4678 8.3323 119.4145 54.8361 30.3832 176.8676 23 E 4.0295 8.8605 124.0741 58.6274 30.3647 176.4693 24 T 4.6940 7.3908 106.4286 59.1642 72.0508 174.3763 25 A 3.9952 8.5639 124.1785 54.6903 18.4394 178.1344 26 H 4.8038 7.9036 110.0444 55.2376 29.7514 174.0836 27 A 4.1100 7.6719 122.5759 52.0674 18.6937 178.3286 28 A 4.2033 8.6324 124.0222 53.9360 19.3116 178.1471 29 G 4.3530 7.7879 102.4129 44.8896 0.0000 172.3221 30 Y 4.7034 9.1823 121.2943 56.4430 40.3356 174.6587 31 D 5.0891 8.9486 124.8882 53.5781 41.9184 175.9740 32 L 4.3634 8.6566 124.5233 54.1808 43.4509 176.4266 33 K 5.0672 8.1936 119.9590 54.1984 36.6909 175.2679 34 V 4.1101 8.5167 122.3453 63.0003 31.7551 176.8304 35 A 4.1753 8.8490 131.0529 54.2893 18.8495 177.1212 36 E 4.7514 7.8683 110.6125 54.4707 32.8340 175.4137 37 R 4.1575 8.7505 121.0729 57.9266 30.7622 175.6794 38 T 4.7103 9.1357 122.1555 61.9825 72.4300 172.6708 39 E 5.0149 8.9310 125.6650 55.0401 31.7452 175.6904 40 I 4.5298 8.7246 123.9720 59.3859 40.5089 175.5717 41 S 4.6060 8.7577 123.0214 57.7906 64.3802 173.8739 42 A 4.1410 8.5742 124.4124 54.2678 18.1568 178.5475 43 G 3.8692 8.6795 110.6812 45.5657 0.0000 173.4780 44 A 4.4332 7.8788 122.9632 51.1902 19.9220 176.3320 45 I 4.7325 8.0500 120.4395 59.5245 39.0454 175.6963 46 V 4.4716 8.0363 124.0175 60.9171 34.5937 174.6976 47 L 4.4265 8.6512 127.6902 54.5587 42.1610 176.3305 48 V 4.3901 8.9727 126.2657 60.7399 32.9762 173.6417 49 P 3.9547 0.0000 0.0000 63.1607 32.0636 176.7365 50 T 4.8051 7.3813 115.2754 61.6955 71.2337 176.3251 51 G 3.3874 8.4071 108.7761 45.2489 0.0000 172.9267 52 V 5.1932 7.1838 112.1717 59.2434 36.1489 174.5472 53 K 5.4525 9.5557 120.5831 54.2200 36.2784 174.7089 54 A 5.1548 8.8075 121.7241 50.3338 21.8122 175.0551 55 Y 4.1416 7.7517 119.9267 54.9960 41.4456 174.8848 *57 Q 4.3946 8.2738 117.8711 55.2981 30.0239 175.3533 58 V 3.7371 8.0087 112.4541 63.0774 32.0622 177.1104 59 G 3.1434 8.9067 110.8058 45.1451 0.0000 172.2529 60 E 5.2163 7.7735 117.8734 54.2646 32.4873 175.8292 61 V 4.4905 8.2769 120.5159 59.8374 35.6780 173.6254 62 L 4.4406 8.0889 124.0055 53.5140 44.0514 174.5462 63 Y 5.0958 8.4731 124.3686 56.4245 40.4593 174.5062 64 L 4.9521 8.4798 123.6842 53.1385 43.9408 175.6305 65 F 5.2782 9.0276 122.5653 55.1489 42.5243 174.6518 66 D 4.7934 8.8798 120.7612 54.6367 42.1019 176.0977 67 R 4.2796 8.4993 122.4684 55.4460 31.1763 177.4951 68 S 4.0922 8.9087 117.1021 61.5997 62.4437 175.6060 69 S 4.3657 7.9692 112.8506 59.7925 63.8068 175.6271 70 N 4.2944 8.2967 119.9402 56.2783 38.6813 175.5737 71 P 4.4117 0.0000 0.0000 65.0360 31.6087 178.9960 72 R 4.0707 7.9093 112.4075 57.8546 30.0999 177.2958 73 K 4.2953 8.2442 117.3952 57.4299 32.9363 177.4572 74 K 4.2945 8.0999 115.5254 55.5572 33.3251 177.3163 75 G 3.9139 7.9926 106.5952 45.6781 0.0000 172.9413 76 L 5.1337 7.6169 118.3810 52.7518 44.8171 175.8868 77 V 4.6188 8.2574 114.4796 59.2796 36.0126 175.5362 78 L 4.2923 9.3685 126.2443 54.8104 41.8402 177.5152 79 I 3.7710 8.7176 128.7163 63.2730 38.1681 176.2050 80 N 4.6620 8.1109 115.4873 52.4146 37.6695 175.1757 81 S 4.5385 8.7290 120.4646 58.7746 61.9985 170.5349 82 V 4.4693 7.2747 117.1427 61.1213 34.3536 174.2479 83 G 3.7987 8.9527 116.0412 45.5856 0.0000 172.6069 84 V 4.6108 8.3572 125.2915 61.4002 32.9938 174.9894 85 I 4.1364 8.4480 131.0698 59.5907 38.3865 175.8075 86 D 4.7280 8.4780 127.4968 53.4640 41.6356 178.2381 87 G 3.7132 8.6482 110.5606 48.2902 0.0000 174.2153 88 D 4.8187 8.0401 117.0961 53.4839 40.3017 176.6639 89 Y 4.3043 8.1806 123.3168 60.6943 39.0474 175.3632 90 Y 4.3324 8.2734 119.6105 59.5074 38.9187 175.2843 91 N 4.0139 8.5266 122.5344 53.8353 36.4592 174.1453 92 N 4.4818 7.4888 115.3583 52.3598 37.7525 174.1712 93 P 4.4272 0.0000 0.0000 64.4750 31.9634 177.6026 94 N 4.6010 8.1286 115.7200 55.4548 39.1271 176.1507 95 N 4.8725 7.5432 111.3634 52.5723 38.6252 174.8983 96 E 3.5497 8.7958 117.2834 56.7996 29.1435 174.7705 97 G 2.9993 8.1863 105.0255 45.9460 0.0000 172.7733 98 H 4.1891 7.8217 119.2722 56.6134 29.8099 174.6203 99 I 4.4430 8.9203 128.6089 60.9365 38.1362 175.0336 100 F 4.9891 9.0939 125.0183 55.5636 42.2007 174.6623 101 A 4.6984 8.8024 123.9369 50.3313 20.8343 176.2257 102 Q 4.4297 8.5616 124.0480 55.7930 31.1167 174.5144 *104 K 4.4549 8.3801 124.3180 56.5027 34.1095 174.8947 105 N 4.9928 8.6884 126.1257 52.8960 41.3579 173.0974 *107 T 4.5713 8.1037 110.8049 61.5753 70.0603 173.3731 108 D 4.8183 8.5770 117.9614 53.1371 39.7113 175.8191 109 Q 4.7535 7.5618 117.4082 54.1755 32.3094 175.5305 110 T 4.1263 8.6432 118.5749 64.2794 69.3273 173.5334 111 V 4.4061 8.7663 125.7100 61.0601 34.2065 174.2307 112 V 4.7705 8.3915 127.0210 61.1556 33.6100 174.3540 113 L 4.8025 8.9227 128.6033 53.3633 43.3397 176.0827 114 E 4.5813 8.9793 123.7240 55.2606 31.1303 176.4920 115 A 4.2312 8.5135 125.1788 54.2681 18.7370 178.2932 116 G 3.9843 9.1106 112.0994 44.9344 0.0000 173.7916 117 E 4.1687 7.8799 120.3590 56.1931 30.5218 176.8100 118 R 4.5162 8.6029 123.5688 56.5307 30.3791 176.5217 119 V 4.3478 8.8154 121.3839 62.7850 34.0397 175.7642 120 V 4.8426 7.6293 112.1260 59.4455 36.8967 173.9661 121 Q 5.1986 9.3597 120.0363 54.5086 31.4666 174.6412 122 G 4.5203 9.4115 109.9178 44.4950 0.0000 172.2618 123 V 5.0784 8.8385 124.4437 61.1334 34.4311 174.9082 124 F 5.4118 9.4507 126.1578 55.3250 40.4898 173.2531 *126 P 4.5646 0.0000 0.0000 62.8526 32.2735 175.2201 127 F 5.2310 8.5907 115.5667 55.2650 41.3287 173.6428 128 L 4.8975 8.7907 117.7515 53.0096 44.8552 176.3160 129 L 4.7792 8.3968 121.0635 52.9723 43.7088 176.7216 130 I 4.1273 8.0131 114.6723 59.9624 38.6466 175.4684 131 D 4.2817 8.4491 121.1747 55.9159 41.1546 177.2442 132 G 4.1127 8.7506 111.0806 46.0024 0.0000 173.1948 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 4 T 8.16 4.40 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 1.13 0.00 0.00 5 R 6.94 3.99 0.00 1.26 1.47 0.00 2.69 0.00 0.00 2.56 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.54 0.00 6 G 6.03 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 0.00 0.00 0.00 7 F 8.10 5.52 0.00 2.92 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 8 E 9.30 5.00 0.00 2.15 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 2.39 2.62 0.00 9 L 8.67 4.70 0.00 1.59 1.82 0.95 0.94 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 10 I 8.64 4.23 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 1.65 0.80 0.91 0.00 0.00 11 T 8.62 3.94 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 1.19 0.00 0.00 12 D 7.99 4.35 0.00 2.54 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 0.00 0.00 0.00 0.00 13 Y 7.77 4.79 0.00 2.93 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 14 T 8.46 4.50 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 1.22 0.00 0.00 15 D 8.04 4.51 0.00 2.75 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 16 E 8.73 4.17 0.00 2.09 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 0.00 2.43 2.32 0.00 17 N 8.49 4.38 0.00 2.79 2.85 0.00 0.00 7.19 8.51 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 18 L 7.80 4.10 0.00 1.71 1.59 0.72 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.53 4.07 0.00 1.79 1.66 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.71 0.00 1.38 1.79 0.00 3.26 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.36 0.00 21 K 8.43 5.05 0.00 1.84 1.93 0.00 1.51 0.00 0.00 1.84 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.45 7.81 22 R 8.33 4.47 0.00 1.52 1.75 0.00 3.18 0.00 0.00 3.19 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.50 0.00 23 E 8.86 4.03 0.00 2.06 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 2.27 2.28 0.00 24 T 7.39 4.69 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 1.20 0.00 0.00 25 A 8.56 4.00 1.18 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 0.00 0.00 26 H 7.90 4.80 0.00 3.13 3.28 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.67 4.11 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 28 A 8.63 4.20 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 29 G 7.79 4.35 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 0.00 30 Y 9.18 4.70 0.00 3.21 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 31 D 8.95 5.09 0.00 2.59 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 32 L 8.66 4.36 0.00 1.59 1.47 0.83 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.19 5.07 0.00 1.58 1.60 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.33 7.81 34 V 8.52 4.11 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 0.89 0.00 0.00 0.98 0.00 0.00 35 A 8.85 4.18 0.46 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 36 E 7.87 4.75 0.00 2.03 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 2.28 2.39 0.00 37 R 8.75 4.16 0.00 1.86 1.94 0.00 3.20 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 38 T 9.14 4.71 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 1.25 0.00 0.00 39 E 8.93 5.01 0.00 1.86 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 2.25 2.34 0.00 40 I 8.72 4.53 1.88 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 1.25 0.75 0.92 0.00 0.00 41 S 8.76 4.61 0.00 3.78 3.79 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 42 A 8.57 4.14 1.28 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 43 G 8.68 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 44 A 7.88 4.43 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 45 I 8.05 4.73 1.86 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 1.30 0.67 0.91 0.00 0.00 46 V 8.04 4.47 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 0.85 0.00 0.00 0.94 0.00 0.00 47 L 8.65 4.43 0.00 1.44 1.47 0.66 0.87 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 48 V 8.97 4.39 2.20 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 1.06 0.00 0.00 1.03 0.00 0.00 49 P 0.00 3.95 0.00 2.00 2.11 0.00 3.75 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 50 T 7.38 4.81 4.33 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 1.20 0.00 0.00 51 G 8.41 3.39 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 0.00 52 V 7.18 5.19 2.31 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 0.81 0.00 0.00 0.89 0.00 0.00 53 K 9.56 5.45 0.00 2.02 2.04 0.00 1.46 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.66 1.61 7.81 54 A 8.81 5.15 1.03 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 55 Y 7.75 4.14 0.00 2.45 1.43 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 *57 Q 8.27 4.39 0.00 2.34 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 7.11 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 58 V 8.01 3.74 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 0.69 0.00 0.00 0.90 0.00 0.00 59 G 8.91 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 0.00 0.00 0.00 60 E 7.77 5.22 0.00 1.99 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 2.21 2.16 0.00 61 V 8.28 4.49 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 0.31 0.00 0.00 0.49 0.00 0.00 62 L 8.09 4.44 0.00 1.08 1.35 -0.05 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.47 5.10 0.00 2.60 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.48 4.95 0.00 1.44 1.51 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 65 F 9.03 5.28 0.00 2.93 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 66 D 8.88 4.79 0.00 2.75 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 67 R 8.50 4.28 0.00 1.93 1.83 0.00 3.21 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 68 S 8.91 4.09 0.00 3.81 3.91 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 69 S 7.97 4.37 0.00 4.04 4.09 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 70 N 8.30 4.29 0.00 3.00 3.13 0.00 0.00 6.86 7.62 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 71 P 0.00 4.41 0.00 2.18 2.09 0.00 4.11 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 2.11 2.03 0.00 72 R 7.91 4.07 0.00 1.92 2.05 0.00 3.01 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 73 K 8.24 4.30 0.00 1.92 1.89 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.53 7.81 74 K 8.10 4.29 0.00 1.91 1.84 0.00 1.94 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.35 7.81 75 G 7.99 3.91 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 0.00 0.00 0.00 76 L 7.62 5.13 0.00 1.59 1.55 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.26 4.62 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 0.65 0.00 0.00 0.94 0.00 0.00 78 L 9.37 4.29 0.00 1.75 1.60 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.72 3.77 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.80 0.97 0.00 0.00 80 N 8.11 4.66 0.00 2.84 2.87 0.00 0.00 6.14 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 81 S 8.73 4.54 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 82 V 7.27 4.47 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 0.45 0.00 0.00 1.00 0.00 0.00 83 G 8.95 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 0.00 0.00 0.00 84 V 8.36 4.61 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 0.80 0.00 0.00 1.01 0.00 0.00 85 I 8.45 4.14 1.82 0.00 0.00 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 1.11 0.86 0.96 0.00 0.00 86 D 8.48 4.73 0.00 2.73 2.64 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 0.00 0.00 0.00 0.00 87 G 8.65 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 0.00 0.00 0.00 88 D 8.04 4.82 0.00 2.86 2.86 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.18 4.30 0.00 3.08 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 90 Y 8.27 4.33 0.00 3.14 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 91 N 8.53 4.01 0.00 2.44 2.62 0.00 0.00 7.13 8.00 0.00 0.00 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 N 7.49 4.48 0.00 2.87 2.97 0.00 0.00 7.04 7.45 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 93 P 0.00 4.43 0.00 2.05 2.12 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 94 N 8.13 4.60 0.00 2.72 2.88 0.00 0.00 6.71 8.00 0.00 0.00 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 N 7.54 4.87 0.00 3.04 3.02 0.00 0.00 5.90 7.66 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 96 E 8.80 3.55 0.00 2.10 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 2.06 2.13 0.00 97 G 8.19 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 0.00 0.00 0.00 98 H 7.82 4.19 0.00 3.29 3.43 0.00 5.77 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.92 4.44 2.02 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 1.42 1.43 0.95 0.00 0.00 100 F 9.09 4.99 0.00 2.84 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 0.00 101 A 8.80 4.70 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 0.00 102 Q 8.56 4.43 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.62 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 *104 K 8.38 4.45 0.00 1.91 1.70 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.61 7.81 105 N 8.69 4.99 0.00 2.83 2.83 0.00 0.00 6.67 6.74 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 *107 T 8.10 4.57 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 1.21 0.00 0.00 108 D 8.58 4.82 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 0.00 109 Q 7.56 4.75 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 110 T 8.64 4.13 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 1.25 0.00 0.00 111 V 8.77 4.41 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 0.97 0.00 0.00 1.07 0.00 0.00 112 V 8.39 4.77 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 0.92 0.00 0.00 0.94 0.00 0.00 113 L 8.92 4.80 0.00 1.72 1.57 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.98 4.58 0.00 1.85 1.86 0.00 0.00 0.00 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 2.41 0.00 115 A 8.51 4.23 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 0.00 116 G 9.11 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 0.00 0.00 0.00 117 E 7.88 4.17 0.00 2.07 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 2.32 2.29 0.00 118 R 8.60 4.52 0.00 1.69 1.85 0.00 3.14 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 119 V 8.82 4.35 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 0.74 0.00 0.00 0.93 0.00 0.00 120 V 7.63 4.84 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 0.87 0.00 0.00 0.92 0.00 0.00 121 Q 9.36 5.20 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 122 G 9.41 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 0.00 0.00 0.00 0.00 123 V 8.84 5.08 2.48 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 1.30 0.00 0.00 1.30 0.00 0.00 124 F 9.45 5.41 0.00 2.91 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 *126 P 0.00 4.56 0.00 2.09 2.08 0.00 3.80 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 127 F 8.59 5.23 0.00 3.03 3.05 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 0.00 128 L 8.79 4.90 0.00 1.58 1.61 0.96 0.92 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 0.00 129 L 8.40 4.78 0.00 1.65 1.63 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 130 I 8.01 4.13 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 1.45 0.55 0.95 0.00 0.00 131 D 8.45 4.28 0.00 2.70 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 0.00 132 G 8.75 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.