NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6096 8.2233 120.1951 53.8442 42.5849 175.7828 3 D 4.3275 8.9807 126.8515 57.0497 40.6389 177.6627 4 R 3.9002 8.8378 119.7476 59.3347 30.4683 178.0658 5 L 3.9400 7.9001 119.6491 57.9663 41.9561 178.3430 6 F 4.1082 8.0794 119.4281 61.5470 39.4326 176.9990 7 R 3.9497 8.2103 116.3880 59.2333 29.9489 178.3281 8 N 4.3947 8.2204 115.2628 56.2606 38.8076 178.1729 9 A 4.0760 7.9088 119.0255 52.6932 18.3862 179.1305 *11 G 3.7341 8.0784 109.7223 46.5621 0.0000 175.3260 12 K 4.0049 7.8972 118.1905 57.4247 32.3170 176.7459 13 F 4.6184 8.0104 121.4628 56.4305 38.9718 174.7960 14 A 4.6809 8.1040 130.6044 52.4296 19.1413 176.1149 15 T 4.5819 8.9489 110.1793 59.9391 73.1733 174.1753 16 G 4.2112 8.5159 109.1174 45.2173 0.0000 172.5238 17 V 4.8076 8.3104 118.1378 61.4096 35.1147 174.8682 18 T 5.1166 8.8621 116.5766 59.8503 72.8271 172.4667 19 V 4.5229 8.3960 121.6724 61.0790 34.3452 174.2354 20 I 4.7571 8.1936 128.6848 60.6424 38.6625 174.8022 21 T 5.1602 8.8107 117.0829 60.4665 72.1957 172.7645 22 T 4.8359 8.6311 116.7198 61.1988 71.8794 171.4508 23 E 5.0023 8.5563 123.3989 54.1893 32.4825 174.8042 24 L 4.4205 8.6573 128.0208 53.7830 43.8282 175.4880 25 N 4.0333 9.7996 124.9088 53.8585 35.7249 173.1730 26 G 4.2627 8.2660 110.7189 45.4456 0.0000 172.4592 27 A 3.9931 7.5589 123.3511 51.4416 19.0334 175.9987 28 V 4.2922 7.9866 123.1036 62.1161 32.5682 174.8142 29 H 5.0423 9.2157 125.0408 54.2331 32.2555 173.4111 30 G 4.8278 8.4124 107.1106 44.9114 0.0000 171.2863 *32 T 4.3927 8.3916 114.7713 63.3547 69.7471 173.6828 33 A 4.6974 8.9826 128.5508 50.7457 22.2394 175.9876 34 N 4.9671 8.7816 117.5602 52.6143 39.1118 175.5755 35 A 4.4075 7.7235 124.3393 51.0700 16.9882 175.1907 36 F 5.6405 7.5480 122.6089 54.3833 43.6009 173.4873 *38 S 4.0641 8.2996 115.8778 58.1371 63.0188 172.1375 39 V 4.1757 8.6443 125.9537 63.9384 33.1008 175.6124 40 S 4.6342 7.4729 112.5318 56.7075 65.5229 173.9245 41 L 3.9802 8.6611 128.4048 56.9093 42.3262 176.3665 42 N 4.8323 7.8342 117.2531 50.5209 39.8704 172.4746 43 P 4.4701 0.0000 0.0000 61.6935 32.6421 176.3481 44 K 4.4846 8.3734 117.6022 56.2645 32.2545 176.2545 45 L 5.4658 9.0573 125.7278 52.7928 45.9347 176.2229 46 V 4.9565 8.9443 120.7001 60.2880 35.7807 173.7338 47 L 5.4462 8.1511 121.2850 53.6791 45.6455 174.6819 48 V 4.9682 8.8890 124.4194 59.9490 35.1222 174.1203 49 S 5.2596 8.7499 117.1538 56.7237 64.4479 173.1407 50 I 4.6579 8.8914 128.1475 59.0580 40.3880 175.5670 51 G 3.6931 8.6374 113.9161 45.8571 0.0000 174.4306 52 E 4.1171 8.8222 121.1355 58.5801 29.6389 178.1173 53 K 4.2469 7.8609 116.0563 56.2012 32.7342 176.3180 54 A 4.2646 7.5789 123.5480 51.4178 18.7036 179.9293 55 K 4.0781 8.4772 125.8266 55.8932 31.6208 178.9854 *57 L 4.3407 8.0497 121.4766 55.1296 44.0429 178.2569 58 E 4.4083 7.9301 117.8626 58.7833 29.4996 178.8426 59 K 3.8427 7.6756 118.7875 59.5091 32.0339 179.3177 60 I 3.6631 7.4471 119.3895 64.1510 36.9204 178.0986 61 Q 4.1473 8.1574 119.0417 59.1732 28.3156 179.2995 62 Q 4.0106 8.0611 118.1867 59.0707 29.0435 178.5531 63 S 4.2322 8.0538 113.4356 58.9363 63.4252 174.3814 64 K 4.0098 8.4532 121.2612 56.4423 30.1048 174.3176 65 K 5.0577 7.5166 115.0033 56.4491 35.7897 174.2255 66 Y 5.0149 8.2247 116.8646 56.3092 41.5424 172.9344 67 A 5.1774 9.1638 122.8763 50.2492 22.6543 175.4715 68 V 4.3249 8.9301 121.0565 61.3013 33.7989 174.4085 69 N 5.0283 8.9458 126.9585 51.4872 40.2836 174.2078 70 I 4.2157 8.3819 126.5464 60.9235 38.4889 175.7515 71 L 4.8198 9.0238 128.5923 54.2217 43.2006 177.1371 72 S 4.7775 9.2354 118.4613 57.5667 64.2733 174.8961 73 Q 3.9716 8.9858 122.2401 59.1589 28.6994 177.2191 74 D 4.7932 7.9997 115.4685 54.3243 41.0664 176.4219 75 Q 4.6219 7.8002 118.4916 55.2842 29.7663 177.7002 76 K 3.5321 8.2749 121.6896 59.4424 32.3880 178.0758 77 V 3.6773 7.6488 117.2632 65.7624 31.9062 176.8598 78 L 4.1157 7.9733 119.4299 57.9981 41.2843 179.3938 79 S 4.3418 8.1056 109.1499 59.5783 62.0431 175.0143 *81 N 4.4788 8.0741 117.2563 53.4950 40.0667 175.7234 82 F 4.4738 8.4363 113.7291 58.2819 38.9780 175.9984 83 A 4.4570 7.9344 122.9941 51.2757 19.2468 178.4841 84 G 4.0398 8.1398 103.7243 46.5439 0.0000 174.6617 85 Q 4.3517 7.6197 116.1253 55.5717 28.8727 175.4707 86 L 4.7374 7.4390 118.5725 52.6186 43.9791 176.2200 87 E 3.9437 9.0325 123.7722 58.6710 29.6332 177.0185 88 K 4.3174 7.6979 120.2347 53.7941 32.4677 174.0995 89 P 4.4212 0.0000 0.0000 62.9749 31.8836 176.3785 90 V 4.1575 7.9684 114.5118 59.6390 33.4184 175.8811 91 D 4.5002 8.3545 122.2167 53.4351 40.5679 175.7250 92 V 3.8893 7.9978 126.6958 61.5012 32.9093 175.3758 93 Q 4.2255 8.2138 125.8277 55.5241 29.3069 174.6579 94 F 5.4479 8.6775 123.2625 56.0817 41.2950 175.6997 95 E 5.0345 9.0226 120.3718 55.0232 32.9134 173.8819 96 E 5.0414 8.7001 118.2618 54.9879 33.0402 175.8769 97 L 4.2868 9.0984 126.8910 55.0075 44.9776 175.4583 98 G 3.8475 9.2695 114.5806 45.6962 0.0000 174.0853 99 G 3.9272 8.6294 105.8528 44.8279 0.0000 173.9399 100 L 4.7572 7.5094 119.7886 51.5954 44.2921 173.9353 101 P 4.8547 0.0000 0.0000 63.1211 31.9115 175.8547 102 V 4.7495 8.9382 115.9935 59.5931 36.6476 174.2948 103 I 4.5234 8.9340 123.6087 59.6244 38.4829 175.8952 104 K 4.1174 8.3794 128.9033 58.0430 32.4677 176.3181 105 D 4.4779 8.9182 123.1190 54.5340 38.3587 174.0588 106 A 4.3368 7.4282 121.7372 52.2110 19.1962 177.9263 107 L 4.1733 8.9042 122.4432 57.4994 43.1747 176.9046 108 A 5.1660 7.6876 117.6595 50.7955 23.0282 174.9831 109 Q 4.9324 9.5062 118.5983 54.1723 32.9458 174.8261 110 I 4.9752 8.5872 123.7296 59.8765 41.0699 174.3618 111 S 4.9520 9.1027 124.4406 57.3685 64.8944 173.4900 112 C 5.1928 8.8191 120.7546 58.0656 32.7470 172.7749 113 Q 4.8079 8.6012 120.9888 53.8631 30.8454 175.3003 114 V 4.2950 8.4709 124.8049 63.4672 31.5989 175.9974 115 V 4.4521 8.7269 120.4121 61.4149 33.4662 175.1549 116 N 4.8966 7.8132 117.4164 52.6372 42.3784 172.7465 117 E 4.9470 8.6909 122.7658 54.5808 33.3331 175.1118 118 V 4.2558 8.4430 124.1779 60.7543 34.4661 174.4070 119 Q 4.4681 8.7175 129.6180 56.1303 30.1464 175.8068 120 A 4.3740 9.4062 129.5758 51.2483 21.4486 177.4264 121 G 3.7960 8.4037 114.5080 46.9975 0.0000 174.7692 122 D 4.4992 8.8849 124.7916 56.9761 40.9131 175.3946 123 H 5.4506 8.3432 114.5389 54.1992 33.7517 172.3929 124 T 4.8837 8.8925 116.2666 61.7841 71.7133 173.3767 125 L 4.7585 8.7800 126.7687 53.8564 43.5281 175.6437 126 F 5.1330 9.3056 124.0412 55.9266 40.8735 174.9900 127 I 4.6707 8.7046 126.4892 60.5614 38.4693 175.4381 128 G 4.3199 9.4278 114.7227 44.2406 0.0000 171.3257 129 E 4.9117 9.1387 126.2270 55.0560 31.2517 175.2354 130 V 4.3113 8.5758 128.3389 63.0666 31.5156 175.5138 131 T 4.4786 8.9467 118.6171 62.9107 70.1102 174.8030 132 D 4.8538 7.7107 120.1077 52.9377 45.5617 174.5125 133 I 4.9861 8.2776 121.8412 59.5040 41.3785 174.5849 134 K 4.6692 9.3419 126.7483 54.7495 35.4346 174.9148 135 I 5.0481 8.5039 126.8562 59.7253 40.3811 174.3592 136 T 4.7109 8.6455 114.4122 59.6509 72.8838 173.4623 137 E 4.3909 8.4479 118.3598 56.3871 30.0752 176.9015 138 Q 4.3142 7.8627 116.8748 55.5353 30.0298 175.5541 139 D 4.8234 8.3283 119.3220 53.5299 42.3774 174.0426 140 P 5.0772 0.0000 0.0000 61.5822 33.2174 175.2381 141 L 4.2602 8.4755 124.6199 55.3219 43.1443 175.6945 142 L 5.3001 8.8978 125.5939 53.0208 45.4606 175.0823 143 F 5.3779 9.4230 123.5206 56.6057 42.8482 173.5471 144 F 4.7808 8.8522 127.0494 57.7333 43.2874 174.1590 145 S 3.2632 8.8477 122.5817 59.5044 60.6256 173.5200 146 G 3.6283 7.6090 104.9216 45.4547 0.0000 173.9287 147 K 4.4705 6.7808 118.1185 53.9935 35.7888 175.1586 148 Y 5.0618 8.2716 118.6742 58.8745 38.8561 174.5884 149 H 5.0905 9.5807 119.1150 54.8107 34.1840 171.9006 150 Q 4.9884 8.4759 116.9481 53.8127 32.5916 175.8613 151 L 4.0499 8.5068 120.4944 54.4587 42.3451 177.2846 152 A 4.1116 8.3873 125.4823 52.3781 19.0572 177.7184 153 Q 4.2244 8.5661 120.3256 56.0298 29.0249 175.7110 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 D 8.22 4.61 0.00 2.71 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 3 D 8.98 4.33 0.00 2.87 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 4 R 8.84 3.90 0.00 1.88 2.18 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 5 L 7.90 3.94 0.00 1.82 1.88 0.93 0.90 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 6 F 8.08 4.11 0.00 3.04 3.28 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 7 R 8.21 3.95 0.00 1.92 1.98 0.00 3.29 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.95 0.00 8 N 8.22 4.39 0.00 2.83 2.83 0.00 0.00 7.04 7.10 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 9 A 7.91 4.08 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 *11 G 8.08 3.73 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 0.00 0.00 0.00 12 K 7.90 4.00 0.00 1.95 1.97 0.00 1.69 0.00 0.00 1.27 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.60 1.49 7.81 13 F 8.01 4.62 0.00 2.96 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 14 A 8.10 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.95 4.58 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 1.39 0.00 0.00 16 G 8.52 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 17 V 8.31 4.81 2.17 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 1.09 0.00 0.00 1.18 0.00 0.00 18 T 8.86 5.12 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 1.02 0.00 0.00 19 V 8.40 4.52 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 0.20 0.00 0.00 0.87 0.00 0.00 20 I 8.19 4.76 1.76 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 1.32 0.91 0.78 0.00 0.00 21 T 8.81 5.16 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 1.14 0.00 0.00 22 T 8.63 4.84 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 1.18 0.00 0.00 23 E 8.56 5.00 0.00 1.87 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 0.00 2.12 2.19 0.00 24 L 8.66 4.42 0.00 1.56 1.55 0.91 1.32 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 25 N 9.80 4.03 0.00 2.87 2.81 0.00 0.00 7.29 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 26 G 8.27 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 27 A 7.56 3.99 1.21 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 28 V 7.99 4.29 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.50 0.00 0.00 29 H 9.22 5.04 0.00 3.04 3.15 0.00 5.61 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 30 G 8.41 4.83 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 0.00 0.00 0.00 0.00 0.00 0.00 *32 T 8.39 4.39 4.30 0.00 0.00 0.00 0.00 0.00 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 33 A 8.98 4.70 1.21 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 34 N 8.78 4.97 0.00 3.05 2.92 0.00 0.00 6.11 7.26 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 35 A 7.72 4.41 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 36 F 7.55 5.64 0.00 2.98 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 S 8.30 4.06 0.00 3.88 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 39 V 8.64 4.18 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 0.81 0.00 0.00 0.88 0.00 0.00 40 S 7.47 4.63 0.00 3.83 3.64 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 41 L 8.66 3.98 0.00 1.63 1.67 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.83 4.83 0.00 2.71 2.72 0.00 0.00 6.92 8.02 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 43 P 0.00 4.47 0.00 2.29 2.07 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 44 K 8.37 4.48 0.00 1.75 1.84 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.68 7.81 45 L 9.06 5.47 0.00 1.54 1.54 0.93 0.56 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 46 V 8.94 4.96 2.30 0.00 0.00 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 1.14 0.00 0.00 47 L 8.15 5.45 0.00 1.73 1.44 0.91 0.73 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 48 V 8.89 4.97 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 0.33 0.00 0.00 0.97 0.00 0.00 49 S 8.75 5.26 0.00 3.92 3.82 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 50 I 8.89 4.66 2.16 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 1.16 0.65 0.98 0.00 0.00 51 G 8.64 3.69 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 0.00 0.00 0.00 52 E 8.82 4.12 0.00 2.08 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 0.00 2.35 2.28 0.00 53 K 7.86 4.25 0.00 1.74 1.89 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.48 7.81 54 A 7.58 4.26 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 55 K 8.48 4.08 0.00 1.83 1.82 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.44 7.81 *57 L 8.05 4.34 0.00 1.82 1.81 1.03 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.93 4.41 0.00 2.20 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 0.00 2.46 2.19 0.00 59 K 7.68 3.84 0.00 1.71 1.82 0.00 1.34 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.62 1.48 7.81 60 I 7.45 3.66 0.98 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 1.44 0.46 0.17 0.00 0.00 61 Q 8.16 4.15 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.89 2.88 0.00 62 Q 8.06 4.01 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 63 S 8.05 4.23 0.00 4.02 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 64 K 8.45 4.01 0.00 1.94 1.93 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.52 7.81 65 K 7.52 5.06 0.00 1.80 1.68 0.00 1.61 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.36 7.81 66 Y 8.22 5.01 0.00 3.07 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 67 A 9.16 5.18 1.21 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 68 V 8.93 4.32 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 0.20 0.00 0.00 1.12 0.00 0.00 69 N 8.95 5.03 0.00 2.61 2.67 0.00 0.00 6.59 6.80 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 70 I 8.38 4.22 1.83 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 1.04 0.42 0.91 0.00 0.00 71 L 9.02 4.82 0.00 1.65 1.57 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 72 S 9.24 4.78 0.00 3.88 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 73 Q 8.99 3.97 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.12 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 74 D 8.00 4.79 0.00 2.70 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 75 Q 7.80 4.62 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 76 K 8.27 3.53 0.00 1.46 1.65 0.00 1.51 0.00 0.00 1.38 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.04 0.30 7.81 77 V 7.65 3.68 2.02 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 0.79 0.00 0.00 0.87 0.00 0.00 78 L 7.97 4.12 0.00 1.96 1.91 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.11 4.34 0.00 3.89 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 *81 N 8.07 4.48 0.00 2.75 2.66 0.00 0.00 7.13 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 82 F 8.44 4.47 0.00 3.12 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 83 A 7.93 4.46 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 84 G 8.14 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 85 Q 7.62 4.35 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.41 6.54 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 86 L 7.44 4.74 0.00 1.54 1.52 0.85 0.93 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 87 E 9.03 3.94 0.00 1.94 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 2.31 2.24 0.00 88 K 7.70 4.32 0.00 1.66 1.71 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.47 7.81 89 P 0.00 4.42 0.00 2.03 1.90 0.00 3.68 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 2.00 2.07 0.00 90 V 7.97 4.16 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 0.61 0.00 0.00 0.81 0.00 0.00 91 D 8.35 4.50 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.00 3.89 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 0.20 0.00 0.00 0.93 0.00 0.00 93 Q 8.21 4.23 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 94 F 8.68 5.45 0.00 2.95 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 95 E 9.02 5.03 0.00 2.01 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 2.20 2.24 0.00 96 E 8.70 5.04 0.00 1.90 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 2.17 2.26 0.00 97 L 9.10 4.29 0.00 1.71 1.45 0.92 1.11 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 98 G 9.27 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 0.00 0.00 0.00 99 G 8.63 3.93 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 0.00 0.00 0.00 100 L 7.51 4.76 0.00 1.86 1.51 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.85 0.00 1.71 1.82 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 102 V 8.94 4.75 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 0.77 0.00 0.00 1.05 0.00 0.00 103 I 8.93 4.52 1.81 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.28 0.82 0.00 0.00 104 K 8.38 4.12 0.00 1.79 1.66 0.00 1.89 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.58 7.81 105 D 8.92 4.48 0.00 2.85 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 0.00 106 A 7.43 4.34 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 0.00 107 L 8.90 4.17 0.00 1.79 1.81 1.03 0.87 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 0.00 108 A 7.69 5.17 1.20 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 0.00 109 Q 9.51 4.93 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 110 I 8.59 4.98 1.86 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 1.26 0.65 0.97 0.00 0.00 111 S 9.10 4.95 0.00 3.71 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 0.00 112 C 8.82 5.19 0.00 1.85 2.33 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 0.00 113 Q 8.60 4.81 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 114 V 8.47 4.30 2.19 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 1.09 0.00 0.00 1.13 0.00 0.00 115 V 8.73 4.45 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 0.71 0.00 0.00 1.03 0.00 0.00 116 N 7.81 4.90 0.00 2.79 2.62 0.00 0.00 6.95 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 0.00 117 E 8.69 4.95 0.00 1.79 1.63 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 1.90 2.41 0.00 118 V 8.44 4.26 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 0.90 0.00 0.00 0.89 0.00 0.00 119 Q 8.72 4.47 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 120 A 9.41 4.37 1.20 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 0.00 121 G 8.40 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 0.00 122 D 8.88 4.50 0.00 2.83 2.99 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 0.00 123 H 8.34 5.45 0.00 3.08 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.89 4.88 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 0.50 0.00 0.00 125 L 8.78 4.76 0.00 1.48 1.57 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 126 F 9.31 5.13 0.00 2.86 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 0.00 127 I 8.70 4.67 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.78 1.01 0.00 0.00 128 G 9.43 4.32 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 0.00 129 E 9.14 4.91 0.00 2.02 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 2.25 2.44 0.00 130 V 8.58 4.31 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 0.85 0.00 0.00 0.97 0.00 0.00 131 T 8.95 4.48 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 1.17 0.00 0.00 132 D 7.71 4.85 0.00 2.55 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 0.00 133 I 8.28 4.99 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 0.61 0.92 0.00 0.00 134 K 9.34 4.67 0.00 1.78 1.58 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.43 7.81 135 I 8.50 5.05 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 1.41 0.80 0.92 0.00 0.00 136 T 8.65 4.71 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 0.00 137 E 8.45 4.39 0.00 1.97 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 2.24 2.25 0.00 138 Q 7.86 4.31 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.62 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 139 D 8.33 4.82 0.00 2.61 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.08 0.00 2.10 2.06 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 141 L 8.48 4.26 0.00 2.00 1.65 0.94 0.59 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 0.00 142 L 8.90 5.30 0.00 1.79 1.61 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 143 F 9.42 5.38 0.00 3.00 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 0.00 144 F 8.85 4.78 0.00 3.01 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 0.00 145 S 8.85 3.26 0.00 2.82 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 0.00 146 G 7.61 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 0.00 0.00 0.00 147 K 6.78 4.47 0.00 1.65 1.52 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.23 7.81 148 Y 8.27 5.06 0.00 2.98 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 0.00 149 H 9.58 5.09 0.00 3.09 3.18 0.00 5.56 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 8.48 4.99 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 151 L 8.51 4.05 0.00 1.63 1.59 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.39 4.11 1.22 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 0.00 153 Q 8.57 4.22 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.