NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1187 8.1633 120.7402 55.2102 33.9744 173.7203 2 R 4.9860 9.1834 119.8174 52.5903 33.4517 169.9570 3 V 5.0389 8.8977 122.8783 60.0383 35.6833 173.9315 4 V 4.8331 9.0651 124.6978 61.4621 33.5724 174.1511 5 I 5.0703 9.0861 129.2993 59.7023 39.7821 174.5784 6 Q 5.1870 9.1702 126.0637 53.9044 32.2277 174.7767 7 R 4.5275 8.6011 124.7413 56.2300 31.3156 175.6178 8 V 5.0297 9.0158 119.2564 59.7468 35.3866 176.4514 9 K 4.4319 8.8138 121.4651 56.8869 32.7987 177.1880 10 G 4.3170 7.5024 107.2533 45.4479 0.0000 172.0219 11 A 5.2590 8.2288 122.3276 50.2770 23.2928 175.3719 12 I 4.6913 9.0251 122.5777 59.4592 40.5830 174.2414 13 L 4.9893 8.9610 130.5283 53.5076 43.8053 175.4166 14 S 5.3854 9.3125 122.2534 56.9532 66.7779 173.3479 15 V 4.9985 8.7406 114.5286 59.3010 36.2147 175.1947 16 R 4.2877 8.5219 120.7088 57.0767 30.5106 176.4480 17 K 3.6512 8.6173 122.8203 56.7540 30.2062 175.3865 *25 K 4.3436 7.7115 122.0986 56.2465 34.3929 176.4401 26 E 4.1137 8.0393 118.3802 57.8871 30.0134 175.5094 27 L 5.1941 7.6681 117.5100 53.0411 44.1382 175.5629 28 E 4.6710 9.3524 122.9368 54.2742 32.6579 174.8362 29 I 4.4742 8.5969 128.4644 61.4823 37.2118 175.6686 30 I 4.5031 8.8344 120.0933 61.3379 39.8971 175.9447 31 S 4.7894 7.7443 116.6747 57.1332 67.5741 172.7226 32 E 5.2222 8.4036 120.8306 55.3555 32.4394 174.1520 33 I 4.8348 8.6103 119.3238 58.1800 41.4816 176.3675 34 K 4.5737 9.0780 123.6722 55.6316 30.8396 178.5426 35 N 4.4327 8.6213 125.5698 53.7345 39.4603 173.9361 36 G 4.3269 7.0713 109.4984 45.8555 0.0000 171.5053 37 L 5.3442 8.6491 123.3910 52.9112 45.7410 175.4089 38 I 4.5663 8.4392 123.5622 59.7454 39.9631 173.9413 39 C 5.2162 8.8175 127.3739 58.0864 30.9486 173.2674 40 F 5.0354 9.4698 125.0480 56.3793 39.8869 174.7631 41 L 5.1545 9.5003 127.6174 53.2237 44.3394 175.0801 42 G 4.7074 9.9789 115.0033 44.7519 0.0000 172.0469 43 I 5.1356 8.6776 125.9254 59.8892 39.3721 174.9610 44 H 3.8578 10.0287 128.0564 55.0027 30.6526 176.0612 45 K 3.7506 7.2987 125.5939 59.5716 31.8136 178.0176 46 N 4.8643 7.6581 112.3741 52.8406 38.8971 174.7456 47 D 4.5702 7.7292 119.0472 54.6895 41.5677 176.0868 48 T 4.7744 8.8996 113.1503 59.1305 71.5771 175.0722 49 W 4.6176 8.9984 130.6375 60.8107 30.5522 177.6888 50 E 3.9780 8.1103 117.3849 59.2100 28.9481 179.0023 51 D 4.3401 8.1210 118.6698 57.2698 40.9263 178.5461 52 A 3.9018 8.0132 120.7446 55.1238 18.3600 179.4309 53 L 3.4225 7.5579 117.7720 57.8246 41.5996 179.1402 54 Y 3.8535 7.8082 119.1696 60.6151 38.6469 178.1005 55 I 3.6944 7.6313 120.2916 64.5388 37.2871 178.4630 56 I 3.0199 7.2641 120.3535 64.0813 36.8231 178.3181 57 R 3.7442 7.6625 119.4162 59.4717 29.7327 178.7457 58 K 3.8355 7.7413 118.0180 59.5906 31.8412 179.1724 59 C 4.2097 8.1250 116.1244 62.8939 27.1954 175.8298 60 L 4.2544 8.2730 120.1713 56.3581 41.1818 177.9992 61 N 4.8723 7.7985 113.4511 52.7483 40.3219 174.9649 62 L 4.0422 8.2198 120.7724 54.8226 41.7429 176.8085 63 R 4.8321 8.5990 123.4042 55.6533 28.7583 176.1200 64 L 5.1662 8.6210 119.5616 54.0711 42.9709 175.9878 65 W 4.7395 8.3475 119.6919 54.5320 32.6669 175.2752 66 N 4.8561 8.5780 119.8128 53.5446 39.9118 174.3408 67 N 4.8226 9.4503 119.9261 53.1554 42.1133 175.5825 68 D 4.2753 8.5276 128.2828 55.8310 40.1361 176.2968 69 N 4.5559 9.1597 126.4296 55.1312 38.9634 174.4072 70 K 4.5709 8.2343 119.7583 54.6063 34.0397 175.8697 71 T 4.8497 8.2655 112.7234 59.9394 71.0451 174.2644 72 W 3.9645 7.6622 119.5493 57.3137 26.4246 173.7278 73 D 4.9584 8.8290 116.4704 54.2376 44.0477 177.0072 74 K 4.9855 8.1501 116.9390 54.4133 36.1047 175.9428 75 N 5.6221 9.1742 122.0000 50.5845 39.6055 176.3483 76 V 3.3619 8.7468 118.1206 64.8776 31.7094 178.7755 77 K 3.3773 7.5110 117.1865 59.0644 31.5541 178.9164 78 D 4.3465 8.3296 118.4765 56.5922 40.7198 178.0304 79 L 4.0949 6.6245 115.1707 52.9523 42.0645 175.8440 80 N 4.3775 7.5414 114.3735 53.5388 36.5909 173.9582 81 Y 4.8837 7.8182 115.0889 57.5328 39.9075 174.8372 82 E 5.0464 8.8744 119.3746 54.9187 33.1083 175.3958 83 L 5.1294 8.9055 120.7396 52.9573 45.5973 175.4963 84 L 4.9862 8.9689 126.4072 53.6174 43.4903 174.9275 85 I 4.7285 8.7844 128.7739 59.6373 39.3723 175.0071 86 V 4.7210 8.6496 127.7430 60.7125 34.2402 174.5972 87 S 4.7230 8.6680 123.1573 58.7017 63.1281 173.8758 88 Q 4.4721 9.8919 129.0263 53.9592 29.4373 175.0258 89 F 4.5524 8.6434 120.2539 59.1200 38.6248 178.3427 90 T 3.9062 6.9113 111.1460 63.8768 68.5879 176.0102 91 L 3.9622 7.6437 121.3611 57.0661 41.6657 177.5204 92 F 4.7634 8.3836 116.3708 57.0405 39.8124 176.1476 93 G 3.5131 8.3798 107.7037 46.3635 0.0000 173.4550 94 N 4.7264 9.6283 128.3976 52.6929 40.0004 175.4284 95 T 4.7382 8.2809 114.8925 61.3207 69.4968 175.0295 96 K 4.0249 8.8020 123.8347 58.3881 32.2276 177.0110 97 K 4.1725 7.7234 119.5312 54.6329 31.8480 176.2536 98 G 3.8461 8.3182 114.7925 44.7739 0.0000 170.8611 99 N 4.6742 8.5480 114.5724 52.6630 39.0794 174.5937 100 K 4.3549 7.7050 120.4718 53.8624 32.7267 174.3213 101 P 4.3005 0.0000 0.0000 62.3999 31.9845 175.2597 102 D 4.5358 8.4376 121.2323 52.6250 42.8982 176.3461 103 F 5.3224 8.3607 123.4168 57.6879 39.6046 176.9947 104 H 4.2526 8.1828 120.3559 59.0596 28.7140 176.5040 105 L 4.1217 8.0413 116.8415 55.5570 41.9354 175.8856 106 A 4.4797 7.9907 122.1998 50.5474 19.4710 177.5025 107 K 3.8321 8.3248 123.9629 56.7556 32.8415 176.4306 108 E 4.0477 8.9166 124.8661 56.1039 30.4893 175.8322 109 P 4.3995 0.0000 0.0000 66.2201 31.0727 178.5313 110 N 4.3103 8.1352 114.3448 56.5253 38.6927 177.3179 111 E 4.0268 8.1693 119.2277 59.1514 29.6143 179.0777 112 A 4.2055 8.4342 121.5217 54.9878 18.3907 179.4716 113 L 2.8202 8.1005 119.2805 57.9562 42.1047 179.0673 114 I 3.6612 7.4035 118.1295 63.9622 37.9231 177.6569 115 F 4.2363 8.2980 121.1984 61.3449 39.1892 176.3513 116 Y 4.2594 8.7900 119.6276 61.1410 38.6341 178.0660 117 N 4.2951 8.6168 117.4051 56.1157 38.5926 177.5995 118 K 3.9226 8.1442 120.0372 59.4460 32.1031 179.3903 119 I 3.7003 7.8361 120.0066 64.4143 37.0079 178.5385 120 I 3.7981 7.8250 120.7930 64.5146 36.9139 178.0768 121 D 4.3950 8.2393 119.7411 57.6018 40.6078 178.7090 122 E 4.0534 8.4706 119.6078 59.0626 29.6313 178.7630 123 F 4.1745 8.3803 118.0470 60.6202 38.8104 177.7916 124 K 4.0554 8.0010 116.6384 59.2578 31.9262 178.9665 125 K 4.0907 8.0205 118.8181 59.8157 32.2617 178.5636 126 Q 4.2582 8.3241 116.4396 55.6496 29.1157 175.8927 127 Y 4.8977 8.7573 117.0681 57.2646 38.9099 177.1961 128 N 4.9405 8.6473 113.4864 51.6497 42.7413 172.8549 129 D 4.3523 9.0603 125.1857 57.8214 41.1143 178.2706 130 D 4.5179 8.3978 115.7065 55.8822 40.9157 176.8815 131 K 4.3457 7.8269 118.2901 56.0178 33.5700 175.5792 132 I 4.7288 7.5496 121.8957 59.5535 38.8186 175.2009 133 K 4.8127 9.5826 128.2095 54.5477 35.2142 175.4136 134 I 5.1966 7.6554 115.0368 57.2759 41.2931 176.6412 135 G 4.0614 8.1941 107.5997 45.3200 0.0000 177.0318 136 K 4.3838 8.3896 130.1446 53.6559 33.1717 174.5048 137 F 3.8932 8.8015 128.2964 59.6270 39.5771 175.5318 138 G 3.9286 8.2281 114.5544 45.7633 0.0000 172.6476 139 N 5.0891 7.5134 115.7200 50.7387 41.2821 174.0226 140 Y 4.1284 8.5577 122.0401 58.2930 39.4652 175.3575 141 M 4.8450 7.2071 124.8198 53.4235 36.2856 174.0896 142 N 4.6724 8.9724 121.8541 52.1216 40.9806 173.6126 143 I 4.8882 8.2301 127.6699 59.5391 39.4609 175.6198 144 D 4.5780 9.1511 129.4150 53.9522 41.3174 175.6661 145 V 4.6136 8.2860 123.9497 61.4718 33.6677 175.7411 146 T 4.4130 8.7908 125.7956 62.1178 68.4659 173.1101 147 N 4.7879 8.5643 123.5832 53.3006 39.4874 174.6175 148 D 4.3725 10.2677 125.0758 54.8329 40.7549 173.7302 149 G 3.5732 8.8175 116.6337 44.5885 0.0000 170.7567 150 P 4.4621 0.0000 0.0000 61.4734 32.6742 175.7703 151 V 4.4054 8.1094 117.5641 61.6295 34.2696 173.9304 152 T 5.1074 8.6914 124.7423 61.8607 70.8639 173.7076 153 I 4.5823 9.0163 127.6880 59.5229 40.2057 173.9188 154 Y 5.2271 8.6689 127.0350 55.8518 41.2783 174.5704 155 I 4.4156 8.1650 126.7607 59.3086 41.2602 173.7066 156 D 5.2833 8.2904 126.0576 52.5178 43.4489 176.5533 157 T 3.8762 9.2453 117.1432 63.6997 69.2821 176.1914 158 H 4.2397 8.3735 122.1645 59.1032 29.9991 176.1372 159 D 4.4111 7.7922 118.3261 56.3358 40.8213 176.5213 160 I 4.1896 6.9398 118.9337 59.8992 38.7013 175.5079 161 N 4.4644 8.3431 118.5269 53.5598 38.5786 175.3188 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 M 8.16 5.12 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.18 4.99 0.00 1.44 1.69 0.00 2.21 0.00 0.00 2.96 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 3 V 8.90 5.04 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 0.78 0.00 0.00 1.06 0.00 0.00 4 V 9.07 4.83 2.29 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 1.04 0.00 0.00 1.11 0.00 0.00 5 I 9.09 5.07 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.56 0.95 0.00 0.00 6 Q 9.17 5.19 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.02 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 7 R 8.60 4.53 0.00 1.65 1.77 0.00 2.21 0.00 0.00 2.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.55 0.00 8 V 9.02 5.03 2.39 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 0.83 0.00 0.00 1.03 0.00 0.00 9 K 8.81 4.43 0.00 1.64 1.84 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.41 7.81 10 G 7.50 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 11 A 8.23 5.26 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 12 I 9.03 4.69 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 1.11 0.81 0.91 0.00 0.00 13 L 8.96 4.99 0.00 1.67 1.62 0.89 0.76 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 14 S 9.31 5.39 0.00 3.76 3.81 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 15 V 8.74 5.00 2.14 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 0.84 0.00 0.00 1.02 0.00 0.00 16 R 8.52 4.29 0.00 1.75 1.88 0.00 3.17 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 17 K 8.62 3.65 0.00 1.82 2.05 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.35 7.81 *25 K 7.71 4.34 0.00 1.79 1.86 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.38 7.81 26 E 8.04 4.11 0.00 2.04 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 2.37 2.33 0.00 27 L 7.67 5.19 0.00 1.59 1.60 0.99 0.93 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 28 E 9.35 4.67 0.00 2.16 1.77 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 2.20 2.26 0.00 29 I 8.60 4.47 1.88 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 1.41 0.66 0.91 0.00 0.00 30 I 8.83 4.50 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.68 0.93 0.00 0.00 31 S 7.74 4.79 0.00 3.73 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 32 E 8.40 5.22 0.00 1.92 1.75 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 2.17 2.27 0.00 33 I 8.61 4.83 1.85 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 1.20 0.66 0.88 0.00 0.00 34 K 9.08 4.57 0.00 1.69 1.14 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.50 7.81 35 N 8.62 4.43 0.00 1.44 1.42 0.00 0.00 6.69 7.59 0.00 0.00 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 G 7.07 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 0.00 0.00 0.00 0.00 37 L 8.65 5.34 0.00 1.64 1.58 1.11 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.44 4.57 1.74 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 1.19 0.98 0.00 0.00 39 C 8.82 5.22 0.00 2.78 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 40 F 9.47 5.04 0.00 2.94 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 41 L 9.50 5.15 0.00 1.89 1.90 1.19 1.25 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 G 9.98 4.71 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 43 I 8.68 5.14 2.10 0.00 0.00 1.36 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 1.35 0.97 0.00 0.00 44 H 10.03 3.86 0.00 2.64 3.23 0.00 5.63 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 45 K 7.30 3.75 0.00 1.35 1.69 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.30 7.81 46 N 7.66 4.86 0.00 2.73 2.80 0.00 0.00 6.92 8.06 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 47 D 7.73 4.57 0.00 2.49 2.39 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 48 T 8.90 4.77 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 1.26 0.00 0.00 49 W 9.00 4.62 0.00 3.50 3.23 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 50 E 8.11 3.98 0.00 2.12 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 2.43 2.55 0.00 51 D 8.12 4.34 0.00 3.04 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 52 A 8.01 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.56 3.42 0.00 1.60 1.52 0.89 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.81 3.85 0.00 3.18 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 55 I 7.63 3.69 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.89 1.01 0.00 0.00 56 I 7.26 3.02 1.34 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.18 0.22 0.00 0.00 57 R 7.66 3.74 0.00 1.86 1.76 0.00 3.00 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 58 K 7.74 3.84 0.00 1.81 1.73 0.00 1.58 0.00 0.00 1.44 0.00 0.00 2.48 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.83 1.20 7.81 59 C 8.12 4.21 0.00 3.26 3.21 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 60 L 8.27 4.25 0.00 1.74 1.63 1.04 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.80 4.87 0.00 2.81 2.78 0.00 0.00 7.03 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 62 L 8.22 4.04 0.00 1.80 1.64 0.90 0.80 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 63 R 8.60 4.83 0.00 2.01 2.09 0.00 3.12 0.00 0.00 3.40 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 64 L 8.62 5.17 0.00 1.01 1.49 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.35 4.74 0.00 3.49 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 66 N 8.58 4.86 0.00 2.61 2.67 0.00 0.00 6.40 6.92 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 67 N 9.45 4.82 0.00 2.61 2.81 0.00 0.00 7.58 8.87 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 68 D 8.53 4.28 0.00 2.83 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 0.00 0.00 0.00 69 N 9.16 4.56 0.00 2.71 2.87 0.00 0.00 6.65 7.61 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 70 K 8.23 4.57 0.00 1.84 1.72 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.49 7.81 71 T 8.27 4.85 3.81 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 1.14 0.00 0.00 72 W 7.66 3.96 0.00 3.41 3.31 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 73 D 8.83 4.96 0.00 2.78 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 74 K 8.15 4.99 0.00 1.72 1.57 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.29 7.81 75 N 9.17 5.62 0.00 3.07 3.21 0.00 0.00 6.59 7.69 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 76 V 8.75 3.36 2.39 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 0.74 0.00 0.00 1.12 0.00 0.00 77 K 7.51 3.38 0.00 1.70 1.55 0.00 1.29 0.00 0.00 1.27 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.30 1.19 7.81 78 D 8.33 4.35 0.00 2.65 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 79 L 6.62 4.09 0.00 0.27 0.13 -0.04 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.54 4.38 0.00 2.85 2.92 0.00 0.00 6.95 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 81 Y 7.82 4.88 0.00 2.66 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 82 E 8.87 5.05 0.00 1.92 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 2.21 2.28 0.00 83 L 8.91 5.13 0.00 1.41 1.31 1.14 0.40 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 84 L 8.97 4.99 0.00 1.65 1.43 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.78 4.73 1.78 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.62 0.97 0.00 0.00 86 V 8.65 4.72 1.85 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 0.81 0.00 0.00 0.80 0.00 0.00 87 S 8.67 4.72 0.00 3.49 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 88 Q 9.89 4.47 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 89 F 8.64 4.55 0.00 3.34 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 6.91 3.91 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 0.23 0.00 0.00 91 L 7.64 3.96 0.00 1.72 1.60 1.10 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.38 4.76 0.00 3.30 3.21 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 93 G 8.38 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 9.63 4.73 0.00 2.69 2.70 0.00 0.00 6.33 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 95 T 8.28 4.74 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 1.12 0.00 0.00 96 K 8.80 4.02 0.00 1.82 1.89 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.43 7.81 97 K 7.72 4.17 0.00 1.64 1.68 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.43 7.81 98 G 8.32 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 N 8.55 4.67 0.00 2.69 2.81 0.00 0.00 6.65 7.61 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 0.00 100 K 7.71 4.35 0.00 1.69 1.70 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.46 7.81 101 P 0.00 4.30 0.00 1.42 1.66 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 102 D 8.44 4.54 0.00 2.54 2.34 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 0.00 103 F 8.36 5.32 0.00 3.22 3.26 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 0.00 104 H 8.18 4.25 0.00 3.22 3.37 0.00 5.65 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.04 4.12 0.00 1.86 1.76 1.05 1.06 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 0.00 106 A 7.99 4.48 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 0.00 107 K 8.32 3.83 0.00 1.73 1.76 0.00 1.59 0.00 0.00 1.84 0.00 0.00 2.66 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.32 7.81 108 E 8.92 4.05 0.00 2.07 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 0.00 2.34 2.34 0.00 109 P 0.00 4.40 0.00 2.21 2.28 0.00 3.58 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 110 N 8.14 4.31 0.00 2.73 2.85 0.00 0.00 7.05 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 0.00 111 E 8.17 4.03 0.00 2.13 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 2.40 2.37 0.00 112 A 8.43 4.21 1.68 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 0.00 113 L 8.10 2.82 0.00 0.69 1.54 0.38 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.40 3.66 1.87 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 1.43 1.09 1.05 0.00 0.00 115 F 8.30 4.24 0.00 3.42 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.79 4.26 0.00 3.44 3.23 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 0.00 117 N 8.62 4.30 0.00 2.79 2.87 0.00 0.00 7.11 8.39 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 0.00 118 K 8.14 3.92 0.00 2.01 1.78 0.00 1.57 0.00 0.00 1.46 0.00 0.00 2.55 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.03 1.32 7.81 119 I 7.84 3.70 1.97 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 1.16 0.44 0.94 0.00 0.00 120 I 7.82 3.80 1.87 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.34 0.88 0.00 0.00 121 D 8.24 4.40 0.00 2.88 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 0.00 122 E 8.47 4.05 0.00 2.54 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 0.00 2.24 2.29 0.00 123 F 8.38 4.17 0.00 3.40 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 0.00 124 K 8.00 4.06 0.00 1.95 1.89 0.00 1.73 0.00 0.00 1.97 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.64 7.81 125 K 8.02 4.09 0.00 1.79 2.12 0.00 1.82 0.00 0.00 1.93 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.52 7.81 126 Q 8.32 4.26 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 127 Y 8.76 4.90 0.00 2.99 2.34 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 0.00 128 N 8.65 4.94 0.00 2.52 2.09 0.00 0.00 6.49 8.49 0.00 0.00 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 D 9.06 4.35 0.00 2.76 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 8.40 4.52 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 7.83 4.35 0.00 0.97 1.52 0.00 1.77 0.00 0.00 1.55 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.01 0.79 7.81 132 I 7.55 4.73 1.83 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.00 0.78 0.00 0.00 133 K 9.58 4.81 0.00 1.69 1.65 0.00 1.45 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.37 7.81 134 I 7.66 5.20 2.12 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.33 0.94 0.00 0.00 135 G 8.19 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 0.00 136 K 8.39 4.38 0.00 1.76 1.68 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.45 7.81 137 F 8.80 3.89 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 0.00 138 G 8.23 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 0.00 139 N 7.51 5.09 0.00 2.94 2.77 0.00 0.00 6.84 6.91 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 0.00 140 Y 8.56 4.13 0.00 2.94 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 0.00 141 M 7.21 4.84 0.00 1.75 1.70 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 142 N 8.97 4.67 0.00 2.95 2.72 0.00 0.00 6.85 8.94 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 0.00 143 I 8.23 4.89 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 0.95 0.00 0.00 144 D 9.15 4.58 0.00 2.60 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 0.00 145 V 8.29 4.61 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 0.86 0.00 0.00 1.01 0.00 0.00 146 T 8.79 4.41 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 0.00 147 N 8.56 4.79 0.00 2.62 2.77 0.00 0.00 6.98 8.06 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 0.00 148 D 10.27 4.37 0.00 2.62 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 0.00 149 G 8.82 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.46 0.00 2.20 2.08 0.00 3.72 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 1.99 1.95 0.00 151 V 8.11 4.41 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 1.15 0.00 0.00 1.02 0.00 0.00 152 T 8.69 5.11 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 1.25 0.00 0.00 153 I 9.02 4.58 1.90 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.91 0.91 0.00 0.00 154 Y 8.67 5.23 0.00 2.91 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 0.00 155 I 8.17 4.42 1.80 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 1.12 0.50 1.00 0.00 0.00 156 D 8.29 5.28 0.00 2.63 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 0.00 157 T 9.25 3.88 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 1.28 0.00 0.00 158 H 8.37 4.24 0.00 3.12 3.48 0.00 5.95 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.79 4.41 0.00 2.75 2.70 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 0.00 0.00 0.00 160 I 6.94 4.19 1.38 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.36 0.57 0.00 0.00 161 N 8.34 4.46 0.00 2.66 2.67 0.00 0.00 6.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.