NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.6025 8.2649 122.4709 52.2825 19.8416 175.7954 2 T 4.4218 8.6365 119.4684 62.4639 70.7008 172.8525 3 K 5.2830 8.9403 125.1069 54.8150 37.0501 174.6098 4 A 5.4777 8.9540 123.9499 50.9994 23.4708 174.9691 5 V 4.9747 8.8632 117.3054 61.1885 35.4688 173.3221 6 C 4.8530 8.9855 122.0325 58.3539 35.2706 172.7070 7 V 4.4720 8.5206 126.8178 61.8472 32.7254 174.3372 8 L 4.7856 8.6383 129.2724 53.9266 42.9908 176.2629 9 K 4.8403 9.1961 122.4922 55.2442 36.9844 176.3658 10 G 4.2897 8.0438 108.7512 44.8900 0.0000 172.2788 11 D 4.7339 8.8274 120.2299 54.4077 41.9883 176.9856 12 G 4.3398 7.5144 109.5432 44.4483 0.0000 172.0974 13 P 4.3666 0.0000 0.0000 64.1135 31.9964 176.5715 14 V 4.2602 7.5640 120.6041 62.7231 32.0258 175.0070 15 Q 4.8496 8.8750 125.0210 55.2137 32.5682 173.7445 16 G 4.3774 8.6145 106.5865 45.8893 0.0000 171.8383 17 I 5.0933 8.6511 119.7846 59.4347 41.6065 173.7096 18 I 4.8046 8.9497 129.9287 59.5128 40.7808 174.1534 19 N 5.0111 8.4969 123.9141 51.2244 41.4765 173.7456 20 F 5.1980 8.8273 120.3501 55.7243 43.0979 173.9675 21 E 5.2090 9.5281 122.8721 54.9124 33.4742 173.6608 22 Q 4.6894 9.5105 128.2094 54.2023 31.0195 175.6548 23 K 4.0172 9.0823 126.7819 58.7632 32.6498 177.6910 24 E 4.7706 7.8420 116.8631 53.7037 32.8956 175.3207 25 S 4.3447 8.8067 116.8657 60.3711 63.2159 173.6471 26 N 4.1140 8.7191 118.8802 54.2474 36.1072 174.2934 27 G 4.0795 7.9942 107.0376 42.9909 0.0000 172.2490 28 P 4.6504 0.0000 0.0000 62.7485 32.4210 175.9270 29 V 4.5914 8.8893 122.1237 61.2477 33.6238 174.4683 30 K 4.7922 9.3013 130.4299 55.9430 33.8088 175.3954 31 V 4.7832 9.3322 127.5523 60.7816 34.2347 174.1694 32 W 5.6019 8.5268 124.0729 54.7014 31.8473 175.4865 33 G 3.8965 7.4848 107.2906 46.2791 0.0000 170.9441 34 S 5.0988 7.8706 114.8114 57.0002 66.5961 174.4082 35 I 5.1771 8.7606 125.5080 59.4251 41.3314 174.4910 36 K 4.8581 9.0611 124.8791 55.7046 36.4650 176.7242 37 G 3.6780 8.8769 106.8953 46.1084 0.0000 173.6281 38 V 4.3460 7.1874 112.5938 58.8542 34.0505 175.6133 39 T 4.2140 8.1023 111.2721 60.9820 69.3802 174.0881 40 E 4.0696 8.7121 123.9985 57.2129 30.2410 175.4702 41 G 3.7641 8.1820 111.9161 44.0283 0.0000 172.0993 42 L 4.7808 8.1975 119.6740 54.7171 42.9309 176.4970 43 H 4.9938 9.2455 119.7574 53.5937 32.6817 173.3173 44 G 4.0233 8.9464 111.0220 47.0184 0.0000 172.4679 45 F 5.5177 9.0032 125.0428 57.0299 42.1121 172.8296 46 H 5.0960 8.9072 122.6995 53.9160 33.7067 172.8173 47 V 4.3835 8.4664 121.4729 62.5668 32.5392 175.1533 48 H 5.0370 9.4558 125.6253 54.4565 30.6533 176.0075 49 E 3.7414 8.8096 122.0770 58.7574 29.5757 177.0597 50 F 5.0322 7.9477 118.1202 54.8816 41.5767 176.9385 51 G 4.1444 8.3981 112.2682 44.7160 0.0000 173.9735 52 D 4.7763 8.0052 118.1322 52.5834 42.6212 174.2779 53 N 5.1185 8.5142 124.6085 53.6508 39.6066 175.9640 54 T 3.9284 8.6243 115.3499 66.0336 68.4523 176.0820 55 A 4.6344 8.0994 122.1255 51.5748 19.9081 177.1546 56 G 3.8615 8.0326 109.4820 46.2901 0.0000 174.2177 57 C 4.3595 8.6514 114.4730 59.9924 34.3686 175.6704 58 T 3.7571 7.9616 114.6616 65.2420 66.6964 175.6575 59 S 4.3444 7.9856 115.2831 60.3790 63.1703 175.7138 60 A 4.4913 7.5234 125.0998 53.7314 18.2317 178.4371 61 G 4.0556 8.1282 105.6849 43.9594 0.0000 170.6796 62 P 4.6976 0.0000 0.0000 62.0052 33.8244 175.0997 63 H 4.4190 8.3957 116.4700 55.6262 29.5435 175.5494 64 F 4.2324 9.0506 125.2986 58.2406 40.2241 175.0273 65 N 5.0863 7.9399 126.4892 51.4981 38.8107 173.1084 66 P 4.1418 0.0000 0.0000 65.2585 32.0343 177.8556 67 L 4.2927 7.6223 116.4542 53.5627 42.1466 176.4289 68 S 3.5833 7.4476 113.8605 59.7686 60.5982 171.2380 69 R 4.5696 8.2500 118.0597 54.3261 32.4089 176.7070 70 K 4.3985 8.8516 118.8674 55.9364 33.6565 176.4893 71 H 3.9907 8.6663 122.8221 56.9278 30.3440 175.1776 72 G 4.0802 7.4664 110.0508 46.1249 0.0000 172.0655 73 G 4.2228 9.2668 109.8152 42.9506 0.0000 173.1530 74 P 4.4432 0.0000 0.0000 64.7295 31.3645 177.3706 75 K 4.5076 7.9778 116.8257 56.1084 32.3807 175.2348 76 D 4.8803 7.6656 119.0332 52.5565 42.4580 176.5532 77 E 3.8883 8.7875 123.7445 59.0888 29.8370 176.8182 78 E 4.2721 7.9634 122.9046 55.2330 28.6228 174.7025 79 R 4.6990 7.5810 119.7673 55.3256 32.4299 174.8721 80 H 4.3999 9.1481 116.9762 55.4177 29.4477 176.8628 81 V 3.4696 8.4310 122.8592 66.5323 31.2613 177.2490 82 G 3.8795 8.2653 104.1462 47.1619 0.0000 173.4199 83 D 5.0117 8.1802 121.6415 53.3950 39.7822 175.6685 84 L 4.5542 8.4889 120.4015 53.0990 42.7569 177.5237 85 G 4.1580 8.7016 109.0336 45.8135 0.0000 174.4736 86 N 5.6898 8.5942 120.3095 51.3625 42.0824 173.3436 87 V 4.2600 8.5341 114.9685 60.2487 34.1040 175.0350 88 T 4.9886 8.2736 119.0169 61.8842 71.3686 172.8891 89 A 4.9192 8.9617 129.1365 50.4825 21.7057 176.9109 90 D 4.8947 8.3268 120.5796 52.0565 41.6229 177.3033 91 K 3.9986 8.4553 117.2801 59.5669 32.0194 177.9454 92 D 4.4303 8.1457 117.0827 54.7026 41.0613 177.1920 93 G 4.0406 8.4996 108.2976 44.6584 0.0000 172.4669 94 V 4.6730 7.8134 119.2433 60.7391 33.9606 174.1408 95 A 5.0231 9.2020 129.8989 49.5013 21.1963 174.6819 96 D 5.0201 8.6784 122.9545 53.3810 42.5375 176.1810 97 V 4.2098 8.8048 124.2460 61.1945 33.6997 174.6107 98 S 4.8608 8.5975 122.3750 57.2136 64.5809 172.6937 99 I 4.8072 9.5042 128.3157 59.3364 41.1459 174.2808 100 E 5.1891 8.8802 125.6668 54.5113 32.3603 174.4051 101 D 4.9806 9.3150 125.7502 52.5205 44.8547 175.6054 102 S 4.6904 8.9127 118.2197 58.2101 63.7868 174.4259 103 V 4.0769 7.9857 120.8166 64.7827 32.3056 176.3770 104 I 4.0379 7.8821 111.4918 61.1458 37.9111 174.6490 105 S 4.6614 8.1975 114.7459 57.3074 65.4314 173.6627 106 L 4.5093 8.8009 122.7280 54.4007 41.6168 176.2487 107 S 4.5022 7.6195 112.9734 57.7654 65.8591 174.7697 108 G 3.9008 8.5246 108.8451 44.8018 0.0000 173.5844 109 D 4.4718 8.6822 116.9618 55.5261 39.8918 175.7716 110 H 4.5896 7.7888 115.8419 54.6938 28.9405 175.8474 *112 I 3.8093 8.1494 117.8450 59.8243 39.2709 175.6571 113 I 3.6932 7.3394 122.8404 62.8561 37.5635 176.2442 114 G 3.8011 9.4410 113.3537 45.3565 0.0000 172.9250 115 R 4.9203 7.4488 119.2677 54.8087 33.7109 174.5532 116 T 4.9695 7.9644 115.9053 62.0504 71.1099 173.7326 117 L 4.7742 8.5881 128.8625 54.0280 43.9882 175.3399 118 V 4.9501 8.7810 126.0600 60.9897 35.0587 174.1447 119 V 5.0666 8.5639 127.2677 60.6098 33.4244 175.0645 120 H 5.2029 9.1829 122.4835 54.3417 30.3655 175.0962 121 E 4.1739 9.1726 121.6906 59.2851 29.9814 176.5280 122 K 4.7876 8.2386 116.9909 53.8687 35.9592 175.0938 123 A 4.6080 8.3261 121.8462 52.2687 19.6827 176.2372 124 D 5.0276 9.4128 121.9214 53.4560 41.9256 175.9877 125 D 4.6405 9.2406 125.1670 52.8459 39.5063 176.5958 126 L 3.6480 9.7788 119.1990 56.1509 39.7405 176.0746 127 G 4.3127 8.7006 104.4300 45.9503 0.0000 174.9234 128 K 4.3759 8.1656 117.5142 55.8010 32.2419 176.7843 129 G 4.0502 7.4636 108.8166 44.8415 0.0000 173.7669 130 G 4.1462 8.3060 106.0036 44.7449 0.0000 172.8905 131 N 4.9945 7.7044 115.7624 50.7311 40.7779 173.6984 132 E 4.0647 8.7813 118.1317 59.3957 29.9317 178.5311 133 E 4.1382 8.1745 117.5996 58.7803 29.5575 178.8951 134 S 4.1809 8.3384 114.1930 61.0550 62.2573 175.1586 135 T 4.4717 7.4459 109.3584 61.4176 68.6304 175.5575 136 K 4.2746 7.7867 120.0109 58.2164 33.8745 177.1138 137 T 4.0866 8.0501 106.1449 60.0035 70.1340 175.3673 138 G 4.0678 8.2105 110.0870 45.4101 0.0000 173.3762 139 N 4.3050 7.7569 113.8197 54.1596 36.6103 174.9936 140 A 4.4351 7.0044 119.0313 51.4191 19.8025 179.8207 141 G 4.0586 7.9767 103.5270 45.0527 0.0000 173.3412 142 S 4.4309 8.8475 116.4659 58.5393 64.8756 174.1777 143 R 4.4647 8.3044 119.6217 55.0024 30.2365 176.5811 144 L 4.3057 8.8552 125.7611 57.4928 43.0175 177.1969 145 A 5.0897 7.6898 117.8052 51.3910 22.7157 174.0343 146 C 5.5104 8.6113 113.6053 56.1622 46.5231 172.7283 147 G 4.6555 8.0890 103.9877 46.2067 0.0000 172.3761 148 V 4.5854 8.2477 121.3191 61.8742 32.9278 175.5453 149 I 4.1361 9.0127 129.6300 61.1410 37.9617 175.3501 150 G 4.4259 9.0215 114.5047 43.9194 0.0000 172.1363 151 I 4.4245 8.3240 121.7217 61.1214 37.6226 175.5366 152 A 4.7955 8.4585 128.4011 49.6296 21.9972 176.3508 153 Q 4.0698 8.4911 118.7303 56.4664 29.1988 176.0279 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 A 8.26 4.60 1.31 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 0.00 0.00 0.00 2 T 8.64 4.42 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 1.22 0.00 0.00 3 K 8.94 5.28 0.00 1.85 1.70 0.00 1.87 0.00 0.00 1.93 0.00 0.00 3.13 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.48 7.81 4 A 8.95 5.48 1.15 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 0.00 0.00 5 V 8.86 4.97 2.06 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 0.80 0.00 0.00 0.95 0.00 0.00 6 C 8.99 4.85 0.00 3.15 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 7 V 8.52 4.47 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 0.93 0.00 0.00 0.93 0.00 0.00 8 L 8.64 4.79 0.00 1.75 1.60 1.04 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.20 4.84 0.00 1.64 1.62 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.38 7.81 10 G 8.04 4.29 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 0.00 11 D 8.83 4.73 0.00 2.68 2.71 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 12 G 7.51 4.34 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 0.00 13 P 0.00 4.37 0.00 2.18 2.18 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.94 0.00 14 V 7.56 4.26 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 0.79 0.00 0.00 0.98 0.00 0.00 15 Q 8.87 4.85 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.32 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 16 G 8.61 4.38 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 0.00 17 I 8.65 5.09 1.85 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 1.20 1.18 0.89 0.00 0.00 18 I 8.95 4.80 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.16 0.45 0.00 0.00 19 N 8.50 5.01 0.00 1.44 1.42 0.00 0.00 6.45 8.79 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 20 F 8.83 5.20 0.00 2.87 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 21 E 9.53 5.21 0.00 2.59 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 0.00 2.36 2.44 0.00 22 Q 9.51 4.69 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 23 K 9.08 4.02 0.00 1.82 1.89 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.52 7.81 24 E 7.84 4.77 0.00 1.99 1.80 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 2.29 2.27 0.00 25 S 8.81 4.34 0.00 3.98 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 26 N 8.72 4.11 0.00 2.83 2.89 0.00 0.00 6.87 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 27 G 7.99 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 28 P 0.00 4.65 0.00 2.14 2.10 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 29 V 8.89 4.59 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 1.24 0.00 0.00 1.05 0.00 0.00 30 K 9.30 4.79 0.00 2.00 1.99 0.00 1.50 0.00 0.00 1.17 0.00 0.00 2.61 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.67 1.45 7.81 31 V 9.33 4.78 2.16 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 0.70 0.00 0.00 1.11 0.00 0.00 32 W 8.53 5.60 0.00 3.42 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 33 G 7.48 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 34 S 7.87 5.10 0.00 3.88 3.63 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 35 I 8.76 5.18 1.79 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.72 0.87 0.00 0.00 36 K 9.06 4.86 0.00 1.73 1.84 0.00 1.35 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.34 7.81 37 G 8.88 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 0.00 0.00 0.00 38 V 7.19 4.35 1.70 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 0.88 0.00 0.00 0.86 0.00 0.00 39 T 8.10 4.21 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 1.24 0.00 0.00 40 E 8.71 4.07 0.00 2.01 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 2.30 2.34 0.00 41 G 8.18 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 42 L 8.20 4.78 0.00 1.49 1.75 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.25 4.99 0.00 3.01 3.33 0.00 5.63 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 44 G 8.95 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 45 F 9.00 5.52 0.00 3.14 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 46 H 8.91 5.10 0.00 3.08 3.02 0.00 5.68 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.47 4.38 2.13 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 0.91 0.00 0.00 0.86 0.00 0.00 48 H 9.46 5.04 0.00 3.06 3.39 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.81 3.74 0.00 1.61 1.12 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 1.47 2.08 0.00 50 F 7.95 5.03 0.00 3.12 2.81 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 51 G 8.40 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 0.00 0.00 0.00 52 D 8.01 4.78 0.00 2.61 2.82 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 53 N 8.51 5.12 0.00 2.80 2.69 0.00 0.00 7.12 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 54 T 8.62 3.93 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 1.19 0.00 0.00 55 A 8.10 4.63 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 56 G 8.03 3.86 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 0.00 0.00 0.00 57 C 8.65 4.36 0.00 2.95 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 58 T 7.96 3.76 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 1.26 0.00 0.00 59 S 7.99 4.34 0.00 4.18 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 60 A 7.52 4.49 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 0.00 0.00 61 G 8.13 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 0.00 0.00 0.00 0.00 62 P 0.00 4.70 0.00 2.02 2.19 0.00 3.50 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 63 H 8.40 4.42 0.00 2.76 3.16 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.05 4.23 0.00 2.88 2.96 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 0.00 0.00 0.00 65 N 7.94 5.09 0.00 2.59 2.44 0.00 0.00 6.91 7.71 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 66 P 0.00 4.14 0.00 2.01 1.95 0.00 3.01 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.07 0.00 67 L 7.62 4.29 0.00 1.55 1.66 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.45 3.58 0.00 3.96 3.85 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 69 R 8.25 4.57 0.00 1.84 1.97 0.00 3.38 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 70 K 8.85 4.40 0.00 1.75 1.69 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.37 7.81 71 H 8.67 3.99 0.00 3.16 3.18 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.47 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 73 G 9.27 4.22 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 0.00 0.00 0.00 74 P 0.00 4.44 0.00 2.23 2.36 0.00 3.77 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 2.03 2.06 0.00 75 K 7.98 4.51 0.00 1.75 1.84 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.39 7.81 76 D 7.67 4.88 0.00 2.76 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 77 E 8.79 3.89 0.00 1.92 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 2.28 2.29 0.00 78 E 7.96 4.27 0.00 2.06 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 2.31 2.30 0.00 79 R 7.58 4.70 0.00 1.95 1.86 0.00 2.89 0.00 0.00 2.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.57 0.00 80 H 9.15 4.40 0.00 3.45 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.43 3.47 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 0.84 0.00 0.00 0.55 0.00 0.00 82 G 8.27 3.88 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 0.00 0.00 0.00 83 D 8.18 5.01 0.00 2.71 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 84 L 8.49 4.55 0.00 1.78 1.87 0.93 1.00 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 85 G 8.70 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 86 N 8.59 5.69 0.00 2.59 2.70 0.00 0.00 6.69 7.68 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 87 V 8.53 4.26 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 -0.19 0.00 0.00 0.82 0.00 0.00 88 T 8.27 4.99 4.22 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 1.20 0.00 0.00 89 A 8.96 4.92 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 90 D 8.33 4.89 0.00 2.94 2.84 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 91 K 8.46 4.00 0.00 1.77 1.92 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.64 1.41 7.81 92 D 8.15 4.43 0.00 2.85 2.71 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 93 G 8.50 4.04 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 0.00 0.00 0.00 94 V 7.81 4.67 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 0.96 0.00 0.00 0.92 0.00 0.00 95 A 9.20 5.02 1.13 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 0.00 0.00 96 D 8.68 5.02 0.00 2.55 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 97 V 8.80 4.21 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 0.79 0.00 0.00 0.63 0.00 0.00 98 S 8.60 4.86 0.00 3.88 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 99 I 9.50 4.81 1.99 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.80 1.03 0.00 0.00 100 E 8.88 5.19 0.00 1.98 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 2.22 2.33 0.00 101 D 9.31 4.98 0.00 2.87 2.52 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 0.00 102 S 8.91 4.69 0.00 4.01 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 0.00 103 V 7.99 4.08 2.26 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 0.90 0.00 0.00 0.95 0.00 0.00 104 I 7.88 4.04 1.92 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 1.49 0.80 1.03 0.00 0.00 105 S 8.20 4.66 0.00 3.78 3.86 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 0.00 106 L 8.80 4.51 0.00 1.78 1.64 1.02 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.62 4.50 0.00 3.90 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 0.00 108 G 8.52 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 0.00 109 D 8.68 4.47 0.00 2.85 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 0.00 110 H 7.79 4.59 0.00 3.32 3.45 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *112 I 8.15 3.81 1.61 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 1.40 0.20 0.98 0.00 0.00 113 I 7.34 3.69 1.77 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 1.20 0.36 0.84 0.00 0.00 114 G 9.44 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 0.00 115 R 7.45 4.92 0.00 1.64 1.83 0.00 2.21 0.00 0.00 2.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.22 0.00 116 T 7.96 4.97 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 1.24 0.00 0.00 117 L 8.59 4.77 0.00 1.80 1.55 0.40 0.65 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 0.00 118 V 8.78 4.95 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 0.69 0.00 0.00 0.75 0.00 0.00 119 V 8.56 5.07 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 0.82 0.00 0.00 0.97 0.00 0.00 120 H 9.18 5.20 0.00 3.28 3.56 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.17 4.17 0.00 2.12 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 0.00 2.37 2.34 0.00 122 K 8.24 4.79 0.00 1.80 1.70 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.38 7.81 123 A 8.33 4.61 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 0.00 124 D 9.41 5.03 0.00 2.76 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 0.00 125 D 9.24 4.64 0.00 2.94 2.89 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 0.00 126 L 9.78 3.65 0.00 1.85 1.76 0.94 0.95 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 0.00 127 G 8.70 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 0.00 0.00 0.00 0.00 128 K 8.17 4.38 0.00 1.86 1.83 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.51 7.81 129 G 7.46 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 0.00 0.00 0.00 130 G 8.31 4.15 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 0.00 0.00 0.00 131 N 7.70 4.99 0.00 2.76 2.77 0.00 0.00 6.21 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 0.00 132 E 8.78 4.06 0.00 2.02 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 2.37 2.33 0.00 133 E 8.17 4.14 0.00 2.20 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 2.39 2.41 0.00 134 S 8.34 4.18 0.00 4.06 3.97 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 0.00 135 T 7.45 4.47 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 0.00 136 K 7.79 4.27 0.00 1.80 1.79 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.36 7.81 137 T 8.05 4.09 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 1.12 0.00 0.00 138 G 8.21 4.07 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 0.00 0.00 0.00 139 N 7.76 4.31 0.00 3.00 2.91 0.00 0.00 6.84 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 0.00 140 A 7.00 4.44 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 0.00 141 G 7.98 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 0.00 0.00 0.00 0.00 142 S 8.85 4.43 0.00 3.93 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 0.00 143 R 8.30 4.46 0.00 1.67 1.83 0.00 3.24 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.64 0.00 144 L 8.86 4.31 0.00 1.62 1.70 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.69 5.09 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 0.00 146 C 8.61 5.51 0.00 3.03 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 0.00 147 G 8.09 4.66 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 0.00 0.00 0.00 148 V 8.25 4.59 2.06 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 0.84 0.00 0.00 0.92 0.00 0.00 149 I 9.01 4.14 1.81 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 1.09 0.36 0.48 0.00 0.00 150 G 9.02 4.43 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 0.00 151 I 8.32 4.42 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.54 0.91 0.00 0.00 152 A 8.46 4.80 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 0.00 153 Q 8.49 4.07 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.