NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3117 8.1749 110.9396 61.2955 70.1118 173.0617 6 L 4.2957 8.3766 124.8132 52.2712 42.8016 174.7898 7 D 4.9352 9.0260 122.7317 51.1721 42.9204 177.0230 8 K 3.8562 8.6626 118.9771 60.3897 31.9522 179.4546 9 T 3.9100 7.4529 113.9894 66.6710 68.4227 176.4907 10 D 4.4015 8.3452 120.8446 57.5487 40.9454 178.9841 11 I 3.6872 7.7104 119.6864 64.3355 37.1395 178.2595 12 K 4.0056 7.8976 119.9444 59.2389 31.9033 178.8958 13 I 3.6691 7.5817 119.9067 64.5239 37.0279 178.3116 14 L 4.0296 7.8735 119.5622 57.8905 41.3291 179.7573 15 Q 3.9705 8.0239 117.7064 58.8971 28.6973 178.9325 16 V 3.5823 7.7687 119.2116 66.1603 31.3053 178.1548 17 L 4.2869 8.3968 119.0957 57.8296 41.2348 179.3725 18 Q 4.1106 8.2861 117.6754 58.7564 28.6302 178.2427 19 E 4.5066 7.6220 118.1096 57.0125 31.0657 175.9155 20 N 4.8356 8.2364 117.8614 51.3177 39.2166 174.4519 21 G 4.0289 8.5824 110.4126 46.5439 0.0000 171.6638 22 R 4.3686 7.5534 118.2111 55.4635 30.4623 175.6960 23 L 4.0907 7.5211 118.5420 55.5862 42.8016 177.2680 24 T 4.2273 8.1996 115.2935 61.1618 71.1715 175.1953 25 N 4.3051 8.8276 120.9099 57.1083 38.6309 177.3699 26 V 3.5665 7.6494 119.0104 66.1086 31.9016 177.7470 27 E 3.9397 7.9898 118.1503 59.2244 29.1141 179.2740 28 L 3.9611 8.4079 121.0167 58.1508 42.1825 178.8135 29 S 4.1087 8.1893 113.3841 61.5265 62.1907 176.0076 30 E 3.9739 8.3971 121.5333 59.4478 29.1921 179.3876 31 R 4.2591 8.5350 117.6537 58.4937 30.1925 178.5392 32 V 4.2361 7.3076 109.4897 59.2177 33.4886 175.5962 33 A 3.7221 8.1266 121.3782 52.4598 15.6893 175.6080 34 L 4.5565 8.3540 119.4660 53.4541 46.8362 175.3936 35 S 4.8107 8.2399 114.5063 56.7482 64.4391 174.0435 36 P 4.3273 0.0000 0.0000 65.7410 30.7238 179.2015 37 S 4.2066 7.9448 113.4481 60.8607 63.2229 174.3281 38 P 4.3516 0.0000 0.0000 66.1982 31.2353 177.5528 39 C 3.8081 7.9707 119.3268 62.1651 31.3401 175.4645 40 L 3.9439 7.6519 121.3293 58.1094 41.4058 178.8033 41 R 3.8628 8.0145 118.5386 59.5329 29.7846 178.3413 42 R 4.4668 7.9686 117.2452 58.5360 30.2944 178.2387 43 L 4.1124 7.7041 119.1920 58.1398 42.1377 178.8090 44 K 3.8873 8.4453 118.7445 59.9937 31.6467 179.1068 45 Q 4.1345 9.1020 118.8647 59.1482 28.4242 179.2115 46 L 4.0947 8.2056 120.4529 57.3257 41.6457 178.6463 47 E 3.9576 8.1799 117.5118 59.9855 29.6168 179.0036 48 D 4.5132 8.3069 117.0781 57.7774 40.9657 178.3075 49 A 4.1917 7.7952 120.1178 53.6775 18.3900 177.2932 50 G 3.8584 7.6260 113.1448 45.6537 0.0000 174.1358 51 I 3.6863 7.5496 123.6127 63.6615 37.2226 176.5562 52 V 3.9023 7.4372 121.9538 61.3163 30.3369 175.3162 53 R 4.0788 8.2214 124.4582 58.0002 30.1016 176.6431 54 Q 4.4305 7.0919 115.5473 55.6432 31.5289 171.8922 55 Y 4.7006 8.6759 120.6596 56.1756 40.0957 175.2260 56 A 4.7013 8.3195 125.3629 50.1824 22.4649 175.0964 57 A 4.3310 8.5312 123.7670 51.3384 19.5675 177.0235 58 L 4.5597 8.4134 123.1658 53.0851 43.1900 176.3433 59 L 4.4785 8.2096 123.1537 53.1642 44.0158 175.9232 60 S 4.5266 8.1159 114.6596 56.1987 62.8722 172.5784 61 P 4.0363 0.0000 0.0000 65.9285 31.5111 178.3011 62 E 3.9696 8.5253 116.8236 59.8079 29.5370 179.4823 63 S 4.0123 7.8817 113.0445 61.4246 62.9158 176.1736 64 V 4.2047 7.3762 111.1274 61.1558 31.8964 175.8651 65 N 4.2904 8.8741 116.5642 54.2991 38.2905 174.2103 66 L 4.8043 7.6699 118.6831 53.8298 40.0207 176.7992 67 G 3.6234 7.9958 109.2693 46.9981 0.0000 170.9457 68 L 4.4880 8.1359 122.9481 53.6563 43.6901 174.8635 69 Q 4.6560 8.7056 128.2915 54.3018 31.0522 173.9487 70 A 5.4373 9.3163 129.0160 50.2647 22.9097 175.0830 71 F 5.1932 9.1564 118.1685 55.9826 42.5123 174.1012 72 I 4.7373 9.3460 125.7688 59.7583 39.8746 175.5336 73 R 5.0119 8.5523 126.2978 54.6621 30.3197 176.1195 74 V 4.3754 8.3833 124.0174 62.5426 33.7634 174.7460 75 S 4.8738 8.8458 119.0046 55.5785 66.1568 173.8173 76 I 4.2283 8.6266 125.3497 60.2777 38.8260 175.6200 77 R 4.1860 8.6033 126.6163 55.4615 30.9256 176.5578 78 K 4.3283 8.2319 118.6662 56.3862 32.1554 177.0337 79 A 4.7289 7.5508 121.3742 50.2085 21.2432 178.5849 80 K 3.8957 8.8625 121.2481 59.2089 32.2810 177.6268 81 D 5.4002 8.2006 113.3504 51.4275 40.6141 177.0540 82 A 4.0438 7.8749 123.9801 55.7783 18.0984 180.3683 83 R 4.0393 8.0292 115.9724 59.4359 30.1580 178.9868 84 E 3.9291 8.0355 117.7594 59.4879 29.6083 178.5826 85 D 4.3515 8.3099 119.0007 57.5751 41.0266 178.8073 86 F 4.0495 8.1082 120.1012 61.2428 39.4090 176.8071 87 A 3.4147 7.5963 119.7784 55.0965 17.9477 179.2565 88 A 3.7842 7.8507 118.0389 55.4439 18.5767 179.8804 89 S 3.6669 7.8338 113.6364 61.6611 63.0507 177.4056 90 V 2.8690 6.8595 114.8637 63.8849 30.8271 178.8244 91 R 3.9220 7.1420 116.6766 58.1662 29.9395 178.0042 92 K 4.5433 7.4061 115.9469 55.2254 32.9552 176.6413 93 W 4.8736 7.2478 119.7529 54.8215 28.3646 175.3996 94 P 4.3916 0.0000 0.0000 64.7305 31.2056 178.2149 95 E 3.6534 8.0399 116.1724 57.9193 29.6922 176.2047 96 V 4.3068 7.3443 119.5085 61.2206 31.4703 175.3716 97 L 4.3207 8.4190 128.0617 57.3965 41.8610 177.7786 98 S 4.7145 7.9303 112.4254 56.6184 66.6135 172.2183 99 C 5.1755 7.7310 120.8140 58.2458 34.2830 172.9160 100 F 5.1357 9.6791 124.7369 55.5505 42.6264 174.4645 101 A 4.3856 8.8215 124.6983 50.8647 18.3086 177.1098 102 L 4.5440 8.2940 121.6058 54.6373 43.8306 176.6951 103 T 4.2004 8.2312 111.1718 61.1894 70.2903 174.4712 104 G 3.7775 8.3161 106.9571 44.5462 0.0000 173.3733 105 E 4.0090 8.6281 118.2836 59.0754 29.9582 178.5449 106 T 4.3380 7.0665 112.2465 63.1289 69.5309 174.2896 107 D 4.5463 8.8190 125.8161 56.7606 41.9257 175.9429 108 Y 5.1942 7.9991 113.0829 56.0246 42.7948 174.3237 109 L 5.3034 9.7307 123.7309 53.4137 45.6310 175.0341 110 L 5.3754 9.6002 125.8475 53.0032 45.1829 174.9701 111 Q 4.4752 8.8360 124.4913 54.1459 31.1442 174.1377 112 A 4.8358 8.7267 127.1624 50.6339 23.3419 174.4304 113 F 5.0337 8.3393 117.7354 55.7910 42.1527 175.0312 114 F 4.8966 9.5567 119.7505 56.4480 43.5439 176.1434 115 T 4.2724 9.2197 116.6137 65.8006 70.3604 174.4841 116 D 4.5444 8.0356 121.3056 53.6649 44.4977 176.1630 *118 N 4.5455 9.5583 116.4131 53.3466 40.8841 174.7380 119 A 4.0678 8.3009 118.3300 55.3489 18.5037 179.0802 120 F 3.1021 8.2977 118.9033 61.1287 39.4845 176.9216 121 S 4.1684 8.3365 112.1900 62.1674 62.0491 175.8477 122 H 4.0355 8.3274 120.4823 58.9391 29.4758 177.1392 123 F 4.1418 8.2642 123.1741 61.0670 39.2827 177.6112 124 V 2.9424 6.8249 118.2020 64.7114 31.0130 178.2041 125 L 3.8935 7.5600 118.7141 56.6623 41.6217 177.7746 126 D 4.6135 7.8060 116.3655 54.8855 41.7764 176.7280 127 T 4.1926 7.2414 113.1122 64.9658 70.5815 175.5462 128 L 3.6089 6.8030 121.5969 58.0705 42.1492 178.3460 129 L 4.1063 7.6586 118.0048 57.2355 41.8834 178.7865 130 S 4.1504 7.9018 112.3011 60.8845 62.7590 173.9604 131 H 4.3381 7.9828 121.1389 56.0726 30.1205 175.4584 132 H 4.2389 9.0166 122.8236 58.8313 28.6329 176.8698 133 G 3.6850 7.9795 107.1356 48.6263 0.0000 173.5910 134 V 3.7338 7.4690 120.7064 63.1386 31.1807 175.9181 135 Q 4.2200 8.8520 130.6379 58.5964 29.5799 175.2161 136 D 4.7819 7.6734 115.6192 53.3659 44.7031 173.5771 137 A 5.2932 8.3421 124.2387 50.5748 23.0598 176.0832 138 Q 4.5036 8.9696 118.7445 55.0693 31.6292 173.8351 139 S 5.2378 8.7072 118.5044 56.4266 66.0663 173.4654 140 S 4.3907 8.9037 116.6969 56.7278 66.8646 173.0687 141 F 5.5804 8.3692 119.7851 55.7520 42.2927 175.8065 142 V 4.0126 8.3865 121.3955 62.1705 30.5738 175.9811 143 L 4.2170 8.6626 128.9603 57.2406 41.9011 178.0601 144 K 4.4542 7.6651 116.6196 54.9842 34.9873 174.7772 145 E 4.4791 8.6023 126.9743 54.7408 28.9669 175.4395 146 I 3.9565 8.2562 128.0392 63.6282 37.7103 176.7258 147 K 4.2437 7.5860 116.6840 56.1772 34.4766 174.0846 148 H 4.5662 8.5020 122.8688 56.0849 31.0433 172.6346 149 T 4.6019 8.2160 121.0137 60.4794 70.2920 173.6516 150 T 4.2878 8.3804 116.1626 62.1115 69.6991 174.9150 151 S 4.3273 7.6696 118.2536 57.9199 63.7211 174.2357 152 L 4.4035 8.4625 124.8943 53.1169 42.5909 174.6314 153 P 4.5910 0.0000 0.0000 62.7338 32.2386 176.1348 154 L 4.6268 8.1866 117.3904 54.1655 43.5141 178.0879 155 N 4.3308 8.1394 117.0440 55.9805 38.6099 176.2910 156 H 4.4052 8.0453 112.1841 57.1826 28.8547 175.8722 157 L 4.3123 7.8098 119.7068 55.0324 42.1307 176.5805 158 L 4.2788 7.3980 123.8742 55.6464 40.5313 176.1939 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 5 T 8.17 4.31 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 6 L 8.38 4.30 0.00 1.73 1.63 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 7 D 9.03 4.94 0.00 2.88 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 8 K 8.66 3.86 0.00 1.81 1.94 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.57 7.81 9 T 7.45 3.91 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 10 D 8.35 4.40 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.71 3.69 2.05 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 1.69 1.39 0.89 0.00 0.00 12 K 7.90 4.01 0.00 1.87 1.94 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.53 7.81 13 I 7.58 3.67 2.08 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 1.53 0.72 0.94 0.00 0.00 14 L 7.87 4.03 0.00 1.71 1.71 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.02 3.97 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 16 V 7.77 3.58 2.24 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 1.05 0.00 0.00 1.02 0.00 0.00 17 L 8.40 4.29 0.00 1.76 1.83 1.03 0.89 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 18 Q 8.29 4.11 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 19 E 7.62 4.51 0.00 2.20 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 2.32 2.35 0.00 20 N 8.24 4.84 0.00 2.69 2.66 0.00 0.00 7.08 7.38 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 21 G 8.58 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 22 R 7.55 4.37 0.00 1.77 2.05 0.00 3.26 0.00 0.00 3.13 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 23 L 7.52 4.09 0.00 1.95 1.56 0.93 0.80 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 24 T 8.20 4.23 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 1.19 0.00 0.00 25 N 8.83 4.31 0.00 2.84 2.87 0.00 0.00 6.72 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 26 V 7.65 3.57 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 1.10 0.00 0.00 0.92 0.00 0.00 27 E 7.99 3.94 0.00 2.00 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 2.33 2.32 0.00 28 L 8.41 3.96 0.00 1.85 1.83 0.94 0.75 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 29 S 8.19 4.11 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.40 3.97 0.00 2.18 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 2.33 2.34 0.00 31 R 8.54 4.26 0.00 1.80 2.02 0.00 3.13 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 32 V 7.31 4.24 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 0.80 0.00 0.00 1.00 0.00 0.00 33 A 8.13 3.72 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 34 L 8.35 4.56 0.00 1.61 1.57 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.24 4.81 0.00 3.87 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 36 P 0.00 4.33 0.00 2.15 2.10 0.00 3.59 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 2.11 2.18 0.00 37 S 7.94 4.21 0.00 3.84 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 38 P 0.00 4.35 0.00 2.26 2.30 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.02 0.00 39 C 7.97 3.81 0.00 3.01 3.25 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 40 L 7.65 3.94 0.00 2.03 1.65 1.05 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.01 3.86 0.00 1.93 2.13 0.00 3.17 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 1.80 1.69 0.00 42 R 7.97 4.47 0.00 2.05 2.11 0.00 3.33 0.00 0.00 2.45 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 43 L 7.70 4.11 0.00 1.77 1.86 1.05 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 44 K 8.45 3.89 0.00 1.91 2.06 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.66 7.81 45 Q 9.10 4.13 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 46 L 8.21 4.09 0.00 1.87 1.68 0.93 0.85 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 47 E 8.18 3.96 0.00 1.98 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 0.00 2.45 2.69 0.00 48 D 8.31 4.51 0.00 2.65 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 49 A 7.80 4.19 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 50 G 7.63 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 51 I 7.55 3.69 1.86 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 1.29 0.57 0.89 0.00 0.00 52 V 7.44 3.90 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 0.25 0.00 0.00 0.84 0.00 0.00 53 R 8.22 4.08 0.00 1.93 2.01 0.00 3.12 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 54 Q 7.09 4.43 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.74 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 55 Y 8.68 4.70 0.00 2.98 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 56 A 8.32 4.70 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 57 A 8.53 4.33 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 58 L 8.41 4.56 0.00 1.63 1.60 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.21 4.48 0.00 1.53 1.52 0.87 0.85 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 60 S 8.12 4.53 0.00 3.83 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 61 P 0.00 4.04 0.00 2.20 1.96 0.00 3.64 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 2.08 1.70 0.00 62 E 8.53 3.97 0.00 2.07 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 0.00 2.43 2.45 0.00 63 S 7.88 4.01 0.00 3.88 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 64 V 7.38 4.20 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 0.65 0.00 0.00 0.93 0.00 0.00 65 N 8.87 4.29 0.00 2.85 2.88 0.00 0.00 7.23 6.38 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 66 L 7.67 4.80 0.00 1.76 1.69 0.91 0.47 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 67 G 8.00 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 68 L 8.14 4.49 0.00 1.73 1.84 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.71 4.66 0.00 2.26 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 1.97 1.16 0.00 70 A 9.32 5.44 1.84 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 0.00 0.00 71 F 9.16 5.19 0.00 3.12 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 72 I 9.35 4.74 2.10 0.00 0.00 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 1.59 1.02 1.06 0.00 0.00 73 R 8.55 5.01 0.00 1.97 1.92 0.00 3.12 0.00 0.00 3.12 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 74 V 8.38 4.38 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 0.57 0.00 0.00 0.98 0.00 0.00 75 S 8.85 4.87 0.00 3.82 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 76 I 8.63 4.23 2.05 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.54 1.05 0.00 0.00 77 R 8.60 4.19 0.00 1.84 1.87 0.00 3.22 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 78 K 8.23 4.33 0.00 1.76 1.82 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.44 7.81 79 A 7.55 4.73 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.86 3.90 0.00 1.77 1.94 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.48 7.81 81 D 8.20 5.40 0.00 2.81 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 82 A 7.87 4.04 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.03 4.04 0.00 1.95 2.13 0.00 3.21 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.84 0.00 84 E 8.04 3.93 0.00 2.22 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 2.41 2.47 0.00 85 D 8.31 4.35 0.00 2.77 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 86 F 8.11 4.05 0.00 2.87 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 87 A 7.60 3.41 1.30 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 0.00 0.00 0.00 88 A 7.85 3.78 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 89 S 7.83 3.67 0.00 3.27 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 90 V 6.86 2.87 1.72 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 0.38 0.00 0.00 0.19 0.00 0.00 91 R 7.14 3.92 0.00 1.78 1.85 0.00 3.03 0.00 0.00 3.13 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 92 K 7.41 4.54 0.00 1.64 1.83 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.52 7.81 93 W 7.25 4.87 0.00 3.55 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 94 P 0.00 4.39 0.00 2.00 2.10 0.00 3.72 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 95 E 8.04 3.65 0.00 1.25 1.76 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 1.72 1.47 0.00 96 V 7.34 4.31 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 0.89 0.00 0.00 1.21 0.00 0.00 97 L 8.42 4.32 0.00 1.63 1.76 0.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 98 S 7.93 4.71 0.00 3.47 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 C 7.73 5.18 0.00 2.87 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 0.00 100 F 9.68 5.14 0.00 3.02 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 0.00 101 A 8.82 4.39 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 0.00 102 L 8.29 4.54 0.00 1.55 1.62 0.96 0.91 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 0.00 103 T 8.23 4.20 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 1.18 0.00 0.00 104 G 8.32 3.78 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 0.00 0.00 0.00 105 E 8.63 4.01 0.00 1.93 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 2.29 2.33 0.00 106 T 7.07 4.34 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 1.34 0.00 0.00 107 D 8.82 4.55 0.00 2.71 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 0.00 108 Y 8.00 5.19 0.00 3.00 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 0.00 109 L 9.73 5.30 0.00 1.86 1.76 1.16 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.60 5.38 0.00 1.96 1.70 1.24 1.01 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 0.00 111 Q 8.84 4.48 0.00 1.83 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 1.67 1.16 0.00 112 A 8.73 4.84 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 0.00 113 F 8.34 5.03 0.00 2.69 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 0.00 114 F 9.56 4.90 0.00 2.95 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 0.00 115 T 9.22 4.27 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 1.31 0.00 0.00 116 D 8.04 4.54 0.00 2.79 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 0.00 0.00 0.00 *118 N 9.56 4.55 0.00 2.86 3.17 0.00 0.00 6.75 7.87 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 0.00 119 A 8.30 4.07 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.30 3.10 0.00 2.67 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 0.00 121 S 8.34 4.17 0.00 4.01 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 0.00 122 H 8.33 4.04 0.00 3.44 3.30 0.00 5.83 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.26 4.14 0.00 3.03 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 0.00 124 V 6.82 2.94 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 0.80 0.00 0.00 0.86 0.00 0.00 125 L 7.56 3.89 0.00 1.68 1.65 0.88 0.95 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 0.00 126 D 7.81 4.61 0.00 2.67 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 0.00 127 T 7.24 4.19 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 0.68 0.00 0.00 128 L 6.80 3.61 0.00 0.70 1.44 0.84 1.39 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 0.00 129 L 7.66 4.11 0.00 1.58 1.64 0.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 130 S 7.90 4.15 0.00 3.80 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 0.00 131 H 7.98 4.34 0.00 3.62 3.49 0.00 5.65 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 0.00 132 H 9.02 4.24 0.00 3.27 3.44 0.00 5.78 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 0.00 133 G 7.98 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 0.00 134 V 7.47 3.73 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 0.64 0.00 0.00 0.59 0.00 0.00 135 Q 8.85 4.22 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.39 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 136 D 7.67 4.78 0.00 2.71 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.34 5.29 1.17 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 0.00 0.00 138 Q 8.97 4.50 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.66 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 139 S 8.71 5.24 0.00 3.64 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 0.00 140 S 8.90 4.39 0.00 3.65 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 0.00 141 F 8.37 5.58 0.00 2.90 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 0.00 142 V 8.39 4.01 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 0.88 0.00 0.00 1.24 0.00 0.00 143 L 8.66 4.22 0.00 1.71 1.75 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.67 4.45 0.00 1.69 1.65 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.46 7.81 145 E 8.60 4.48 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 146 I 8.26 3.96 1.89 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 1.32 0.93 0.93 0.00 0.00 147 K 7.59 4.24 0.00 1.68 1.65 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.36 7.81 148 H 8.50 4.57 0.00 3.13 3.36 0.00 5.92 0.00 0.00 0.00 0.00 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.22 4.60 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 1.22 0.00 0.00 150 T 8.38 4.29 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 1.22 0.00 0.00 151 S 7.67 4.33 0.00 4.05 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 0.00 152 L 8.46 4.40 0.00 1.67 1.66 0.93 1.11 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 0.00 153 P 0.00 4.59 0.00 2.22 2.06 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 154 L 8.19 4.63 0.00 1.64 1.60 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 155 N 8.14 4.33 0.00 2.83 2.87 0.00 0.00 6.86 8.16 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 0.00 156 H 8.05 4.41 0.00 3.26 3.43 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.81 4.31 0.00 1.69 1.70 0.86 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.40 4.28 0.00 1.71 1.61 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.