NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.4407 8.3349 115.5487 58.0693 64.4312 173.4291 9 I 4.1495 7.7849 121.1003 59.5761 38.6567 172.8309 10 N 5.4305 9.1291 126.2668 51.5020 40.9680 173.8840 11 A 4.7153 9.0430 125.2368 50.0118 22.9023 174.5504 12 K 4.6913 8.7920 124.2762 55.5739 33.9290 174.9061 13 L 5.1678 9.2546 130.3107 53.3085 44.5552 174.9542 14 V 4.9549 8.4643 126.1692 61.3150 34.2407 174.0651 15 L 5.0412 9.0112 127.4115 53.1670 43.7872 175.5331 16 L 4.5548 10.0072 123.6063 51.9713 45.3299 175.7834 17 G 4.6290 8.0276 112.7532 44.4309 0.0000 172.1056 18 D 4.8465 8.1307 121.2697 52.2211 40.5865 176.1983 19 V 3.7148 8.0771 113.3238 62.8546 31.9271 177.2346 20 G 3.9954 8.9204 111.4045 45.4279 0.0000 174.5121 21 A 4.0666 7.5081 122.4930 54.7062 18.6701 178.0881 22 G 4.2737 8.4027 105.3548 46.0083 0.0000 176.0957 23 K 3.9611 8.5479 122.9977 59.3534 32.1981 178.3769 24 S 4.3099 8.0295 114.9715 61.4599 62.8957 176.5809 25 S 4.1283 8.0488 117.4892 61.3884 62.5488 176.1742 26 L 4.0136 7.9632 123.1890 58.2878 41.9019 179.5025 27 V 3.6240 7.5775 118.0165 64.7700 31.1724 178.1485 28 L 3.8468 7.9020 118.8762 57.4674 41.5622 179.1841 29 R 3.9905 8.4108 117.7167 59.2670 30.0874 178.0400 30 F 4.3156 8.0914 119.6718 60.3456 39.5685 176.4808 31 V 2.7375 7.9376 110.9614 62.8725 30.6254 176.7031 *45 A 4.5900 8.5915 125.7471 52.1875 21.2973 178.2711 46 A 4.3218 7.6628 119.9144 54.3365 20.0129 177.9297 47 F 5.4304 7.2571 115.6590 55.9717 42.5994 174.1655 48 F 4.8392 7.7175 122.7224 55.9796 43.6689 173.2394 49 S 5.1446 8.7040 118.4495 57.0682 64.6606 173.5009 50 Q 4.4538 9.5684 126.0158 54.8647 32.2105 173.5470 51 T 4.8726 8.6198 123.3487 62.6363 69.8804 174.1817 52 L 4.8154 9.2692 124.9978 52.7277 46.2555 175.3041 53 A 4.9855 8.4527 122.5311 50.3129 20.8012 176.4430 54 V 4.1629 8.3476 122.2717 62.3372 34.4524 175.3729 55 N 4.0141 9.5977 125.7152 54.8253 35.4134 174.9357 56 D 4.3812 7.9953 112.3961 54.5232 41.6140 172.7202 57 A 4.7581 7.7276 120.9130 51.3170 21.3641 175.2875 58 T 4.9014 8.1924 117.0983 61.7502 71.3643 173.4517 59 V 4.4507 8.5841 126.6826 60.8742 34.0296 174.0615 60 K 4.6656 9.3113 130.9401 54.9282 33.7738 174.8529 61 F 5.3680 9.2987 128.1394 56.7201 40.6927 174.6187 62 E 4.8123 9.4678 126.0710 55.2199 31.3384 174.6322 63 I 5.0444 9.0585 129.0206 59.6201 39.7535 174.7545 64 W 4.8782 9.5943 128.7796 55.0335 30.4968 175.4001 65 D 5.0475 9.0233 125.8815 54.1900 41.5310 175.4999 66 T 4.4752 7.8343 112.7027 59.3452 72.0126 173.4109 67 A 4.0979 8.2189 126.3764 52.2025 18.8362 177.9683 68 G 4.1869 7.9624 111.6487 45.2293 0.0000 174.3218 69 Q 4.2214 8.0396 120.1447 55.5578 29.6443 176.8359 70 E 3.9501 8.9433 122.4055 59.4085 29.3910 179.3700 71 R 3.9018 7.8179 114.5443 58.3848 29.7252 177.1824 72 Y 4.7614 7.4948 116.2519 57.9879 38.3652 176.4810 73 H 4.4412 8.1223 122.1516 59.5143 29.7592 176.9401 74 S 4.3405 8.0315 112.1219 59.9258 63.5310 174.7079 75 L 4.3229 8.1666 121.3080 56.6089 42.1879 178.5145 76 A 4.2178 8.2240 120.9190 55.2144 18.2026 177.7969 77 P 2.9700 0.0000 0.0000 65.4258 31.0503 178.6372 78 M 4.0055 7.7061 116.4110 58.3326 31.8403 177.8409 79 Y 4.4344 8.2318 116.5872 60.2950 38.7612 176.6312 80 Y 4.5101 7.5448 116.3502 56.2944 38.6994 175.2261 81 R 3.9683 7.1417 122.4325 58.0077 30.3937 176.3671 82 G 3.7949 8.9601 112.1572 45.7332 0.0000 172.8854 83 A 4.0452 7.7223 122.6308 51.7343 19.0418 178.2873 84 A 4.4510 8.7007 124.2090 53.7561 20.1792 176.7885 85 A 5.1912 7.7779 115.2186 51.1097 23.2222 174.9478 86 A 4.9973 8.9933 120.0088 50.6380 23.3253 175.3995 87 I 4.4996 8.6088 122.7671 59.6012 39.7049 174.8354 88 I 4.6742 8.7073 129.3310 59.7917 38.6476 174.8299 89 V 4.8357 8.8295 128.6143 61.4837 32.9102 174.9323 90 F 5.1744 9.1092 121.7097 55.3710 42.4144 172.7063 91 D 5.1651 9.2778 119.6411 52.5901 42.0616 177.6014 92 V 3.9195 8.5668 121.0311 64.0958 31.7560 177.7397 93 T 4.5832 8.0967 107.9359 60.4684 68.7079 174.2486 94 N 4.8016 8.5915 121.5820 51.2546 40.8334 174.3489 95 Q 4.0565 8.9740 127.2549 59.4044 29.1553 177.9309 96 A 4.0253 8.1446 121.3874 55.0956 18.4208 179.5549 97 S 4.7798 8.3425 114.2301 61.1825 63.1543 176.6296 98 F 3.8632 8.0034 123.9305 60.9563 38.9629 177.0141 99 E 3.5587 8.2245 118.2766 59.3651 29.1503 179.6227 100 R 3.7263 8.1788 117.9819 58.8906 30.0762 178.9081 101 A 4.1958 7.9103 120.7323 55.0580 18.2830 179.8213 102 K 3.4826 7.3202 116.6394 59.3247 31.9188 179.6990 103 K 3.8183 7.4680 118.7680 59.2176 31.9593 179.1653 104 W 4.5403 8.0480 119.2747 59.9740 28.9014 178.6869 105 V 3.6359 8.0606 117.7849 66.2167 30.9766 177.8559 106 Q 4.1603 8.3114 117.9451 59.2133 28.6007 178.8499 107 E 3.9607 8.4682 120.2371 59.3294 29.6318 178.9043 108 L 3.8036 8.0672 119.0429 57.6681 41.4027 179.4051 109 Q 3.9801 8.2369 117.4104 58.9465 28.7223 178.5311 110 A 4.1931 8.1499 121.0242 54.4382 18.6360 178.1842 111 Q 4.5625 8.6809 113.2839 55.5776 31.0470 176.2694 112 G 4.0449 8.0698 107.4295 43.8094 0.0000 173.3505 113 N 4.4904 8.4784 117.1295 52.1844 37.7586 174.6697 114 P 4.3141 0.0000 0.0000 65.4551 31.6270 177.2329 115 N 4.5645 8.0266 113.2363 53.8779 39.0310 174.7528 116 M 4.1211 7.5587 118.3709 56.4390 32.8668 175.6958 117 V 4.1578 8.7692 126.1997 62.4473 32.8122 174.3394 118 M 5.1719 8.8105 126.8311 53.4229 35.2407 174.2870 119 A 3.9706 8.7006 125.1844 49.6448 22.1208 174.8080 120 L 4.9700 8.6502 124.6922 53.5829 44.0818 175.0087 121 A 4.6991 9.1795 129.7430 50.4275 21.0452 175.7571 122 G 3.0185 8.4729 111.5452 45.3887 0.0000 172.3221 123 N 5.0045 8.7469 126.8690 51.7732 41.5472 174.1176 124 K 4.1329 8.5433 117.1385 57.3450 29.4415 178.5771 125 S 4.1921 8.0018 115.8949 61.0637 63.1627 175.1172 126 D 4.3819 8.1337 119.8036 55.8410 39.0225 176.5522 127 L 4.1897 7.5972 119.8658 54.4653 41.6080 176.2661 128 L 4.3686 8.5376 123.8347 57.0782 42.6988 178.7501 129 D 4.3025 8.2575 116.2754 57.4207 40.6157 177.5905 130 A 4.2942 7.8598 119.1041 52.2512 19.1262 176.8952 131 R 4.1108 7.4637 117.0534 56.5692 30.3993 176.3466 132 K 4.4723 9.1740 122.2867 55.3042 34.3203 176.1864 133 V 4.0723 7.6121 118.3851 60.5237 32.5951 175.6711 134 T 4.0293 8.0779 118.3661 61.4721 70.7268 174.9813 135 A 4.0343 8.5648 124.6408 55.1810 18.4513 179.8335 136 E 3.8415 8.0658 117.4664 59.6831 29.8533 178.6380 137 D 4.3673 7.8524 118.2599 57.2710 40.8478 178.7696 138 A 3.8417 7.3267 120.9415 54.8113 18.2167 179.4341 139 Q 3.9906 8.0341 118.4305 59.6765 29.2302 178.4170 140 T 3.8750 8.3810 116.9791 66.8982 68.5992 175.6729 141 Y 3.9489 8.1276 120.8294 60.8487 38.8994 178.0862 142 A 4.0641 8.2492 121.5149 55.3240 18.2403 179.4129 143 Q 3.9866 8.0338 117.1824 59.1378 29.2921 177.5546 144 E 4.2131 8.0753 117.4320 57.6192 29.5640 176.9992 145 N 4.7350 6.9318 114.2667 52.4281 39.8872 174.8489 146 G 3.8853 8.4600 105.1194 45.7940 0.0000 172.8751 147 L 5.1709 7.7567 119.1059 53.5456 44.0141 175.1610 148 F 5.1909 8.4952 112.6009 55.0822 40.7959 174.0611 149 F 5.4671 8.9912 122.8208 57.0423 41.2931 174.6147 150 M 4.3983 8.3017 124.8685 53.2722 35.7013 174.3861 151 E 4.4627 8.2173 123.7207 56.1619 30.1895 176.1022 152 T 4.8550 8.4815 113.6632 60.0743 73.2337 173.2896 153 S 4.6440 8.7404 116.6103 57.1355 64.4537 174.5327 154 A 4.0871 8.7216 131.9851 54.8349 18.5756 178.6814 155 K 4.0844 8.2030 116.7002 59.2236 32.3375 177.5095 156 T 4.2491 7.5729 105.1794 60.6737 69.2016 174.9764 157 A 3.7354 8.2827 124.7887 52.6168 17.4398 177.6013 158 T 3.9337 7.2581 114.2322 65.1045 68.6169 174.8698 159 N 4.3906 9.0514 122.4196 54.0810 36.8625 176.4736 160 V 3.6612 7.6310 118.9385 66.1188 31.6868 178.1056 161 K 4.5095 8.2017 117.7258 59.6638 31.9357 178.8512 162 E 3.9837 8.2807 118.2757 59.5959 29.5576 179.1008 163 I 3.7803 8.0936 118.6951 64.2379 38.1153 177.9785 164 F 3.8081 7.8624 117.7803 60.6369 38.6324 177.3846 165 Y 4.1843 8.5699 116.5122 61.1036 37.1897 178.2291 166 E 3.9900 8.9160 120.7437 59.0996 29.4413 179.0133 167 I 3.8906 7.7267 119.0434 64.3085 37.1014 177.8500 168 A 4.2565 8.2134 121.2836 55.1449 17.9545 179.6708 169 R 3.9221 7.8670 116.4649 59.6019 30.3251 178.5171 170 R 4.1713 7.5250 114.6941 56.4538 30.4898 176.9115 171 L 4.1651 7.0943 119.3144 53.9859 42.2000 175.2970 172 P 4.4578 0.0000 0.0000 62.9110 31.5764 175.5789 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 8 S 8.33 4.44 0.00 3.88 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 9 I 7.78 4.15 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.88 0.87 0.00 0.00 10 N 9.13 5.43 0.00 2.60 2.76 0.00 0.00 6.80 7.35 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 11 A 9.04 4.72 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 12 K 8.79 4.69 0.00 1.79 1.61 0.00 0.82 0.00 0.00 1.31 0.00 0.00 2.23 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 0.99 7.81 13 L 9.25 5.17 0.00 1.64 1.45 0.03 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.46 4.95 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 1.11 0.00 0.00 0.97 0.00 0.00 15 L 9.01 5.04 0.00 1.60 1.54 1.05 0.44 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 16 L 10.01 4.55 0.00 0.96 0.13 0.52 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.03 4.63 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 18 D 8.13 4.85 0.00 3.01 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 19 V 8.08 3.71 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 0.78 0.00 0.00 0.98 0.00 0.00 20 G 8.92 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 0.00 0.00 0.00 21 A 7.51 4.07 1.41 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 0.00 0.00 22 G 8.40 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 0.00 0.00 0.00 0.00 23 K 8.55 3.96 0.00 1.86 1.85 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.69 1.55 7.81 24 S 8.03 4.31 0.00 3.95 3.95 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 25 S 8.05 4.13 0.00 4.02 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 26 L 7.96 4.01 0.00 2.07 1.76 0.93 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 27 V 7.58 3.62 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 1.17 0.00 0.00 0.93 0.00 0.00 28 L 7.90 3.85 0.00 1.95 1.78 1.11 0.96 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 29 R 8.41 3.99 0.00 1.76 2.23 0.00 3.32 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 30 F 8.09 4.32 0.00 2.77 2.83 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 31 V 7.94 2.74 1.56 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 0.03 0.00 0.00 0.36 0.00 0.00 *45 A 8.59 4.59 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 46 A 7.66 4.32 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 47 F 7.26 5.43 0.00 2.70 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 48 F 7.72 4.84 0.00 2.87 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 S 8.70 5.14 0.00 3.82 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 50 Q 9.57 4.45 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.89 0.00 0.00 0.00 0.00 0.00 2.04 2.31 0.00 51 T 8.62 4.87 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 52 L 9.27 4.82 0.00 1.31 1.17 0.76 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.45 4.99 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 54 V 8.35 4.16 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 0.89 0.00 0.00 0.97 0.00 0.00 55 N 9.60 4.01 0.00 2.92 2.80 0.00 0.00 6.72 8.08 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 56 D 8.00 4.38 0.00 2.78 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 57 A 7.73 4.76 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 58 T 8.19 4.90 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 1.16 0.00 0.00 59 V 8.58 4.45 1.73 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 -0.01 0.00 0.00 0.77 0.00 0.00 60 K 9.31 4.67 0.00 1.77 1.65 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.39 7.81 61 F 9.30 5.37 0.00 3.26 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 62 E 9.47 4.81 0.00 2.25 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 2.63 2.53 0.00 63 I 9.06 5.04 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.23 1.10 0.00 0.00 64 W 9.59 4.88 0.00 3.41 3.41 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 65 D 9.02 5.05 0.00 2.87 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 66 T 7.83 4.48 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 1.23 0.00 0.00 67 A 8.22 4.10 1.16 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 68 G 7.96 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.04 4.22 0.00 2.43 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.82 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 70 E 8.94 3.95 0.00 2.04 1.91 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 2.32 2.39 0.00 71 R 7.82 3.90 0.00 1.72 1.81 0.00 2.63 0.00 0.00 2.93 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.50 0.00 72 Y 7.49 4.76 0.00 3.31 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 73 H 8.12 4.44 0.00 3.23 3.42 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.03 4.34 0.00 4.03 3.96 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 75 L 8.17 4.32 0.00 2.05 1.99 1.13 0.85 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 76 A 8.22 4.22 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 2.97 0.00 2.02 1.86 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 78 M 7.71 4.01 0.00 1.88 2.27 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.55 0.00 79 Y 8.23 4.43 0.00 3.17 3.32 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 80 Y 7.54 4.51 0.00 3.13 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 81 R 7.14 3.97 0.00 1.86 1.76 0.00 3.28 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 82 G 8.96 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.72 4.05 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 84 A 8.70 4.45 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 7.78 5.19 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 86 A 8.99 5.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.61 4.50 1.63 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.37 0.67 0.00 0.00 88 I 8.71 4.67 1.92 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 1.04 0.71 1.08 0.00 0.00 89 V 8.83 4.84 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 0.75 0.00 0.00 0.89 0.00 0.00 90 F 9.11 5.17 0.00 3.31 3.20 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 91 D 9.28 5.17 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.57 3.92 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 0.59 0.00 0.00 0.95 0.00 0.00 93 T 8.10 4.58 4.39 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 1.22 0.00 0.00 94 N 8.59 4.80 0.00 2.71 2.78 0.00 0.00 6.81 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.97 4.06 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 96 A 8.14 4.03 1.33 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 97 S 8.34 4.78 0.00 4.41 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 F 8.00 3.86 0.00 2.78 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 99 E 8.22 3.56 0.00 2.05 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 2.48 2.42 0.00 100 R 8.18 3.73 0.00 1.93 2.00 0.00 3.02 0.00 0.00 3.00 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 0.00 101 A 7.91 4.20 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.32 3.48 0.00 1.40 1.29 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.38 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.30 0.21 7.81 103 K 7.47 3.82 0.00 1.57 1.58 0.00 1.50 0.00 0.00 1.51 0.00 0.00 2.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.44 7.81 104 W 8.05 4.54 0.00 3.50 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.06 3.64 2.44 0.00 0.00 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 1.13 0.00 0.00 106 Q 8.31 4.16 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 107 E 8.47 3.96 0.00 2.06 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 2.40 2.49 0.00 108 L 8.07 3.80 0.00 1.81 1.58 0.80 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.24 3.98 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 110 A 8.15 4.19 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 0.00 111 Q 8.68 4.56 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 112 G 8.07 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 0.00 113 N 8.48 4.49 0.00 2.97 2.99 0.00 0.00 5.95 7.76 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 0.00 114 P 0.00 4.31 0.00 2.07 2.16 0.00 3.68 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 2.12 0.00 115 N 8.03 4.56 0.00 2.72 2.87 0.00 0.00 6.81 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 0.00 116 M 7.56 4.12 0.00 2.06 2.37 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.52 0.00 117 V 8.77 4.16 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 1.13 0.00 0.00 1.03 0.00 0.00 118 M 8.81 5.17 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 119 A 8.70 3.97 0.59 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 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.65 4.97 0.00 1.87 1.82 1.19 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 121 A 9.18 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.47 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 0.00 0.00 0.00 123 N 8.75 5.00 0.00 2.69 2.81 0.00 0.00 7.05 6.37 0.00 0.00 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 8.54 4.13 0.00 2.10 1.86 0.00 2.07 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.38 7.81 125 S 8.00 4.19 0.00 3.97 3.95 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 0.00 126 D 8.13 4.38 0.00 2.80 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 0.00 127 L 7.60 4.19 0.00 1.80 1.67 0.92 0.94 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 0.00 128 L 8.54 4.37 0.00 1.70 1.69 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.26 4.30 0.00 2.67 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 0.00 130 A 7.86 4.29 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 0.00 131 R 7.46 4.11 0.00 1.95 1.86 0.00 3.22 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 132 K 9.17 4.47 0.00 1.69 1.77 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.64 1.50 7.81 133 V 7.61 4.07 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 -0.17 0.00 0.00 0.87 0.00 0.00 134 T 8.08 4.03 4.20 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 1.17 0.00 0.00 135 A 8.56 4.03 1.51 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 0.00 136 E 8.07 3.84 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 2.41 0.00 137 D 7.85 4.37 0.00 2.71 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 0.00 138 A 7.33 3.84 0.05 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 0.00 139 Q 8.03 3.99 0.00 2.33 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 140 T 8.38 3.88 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 1.31 0.00 0.00 141 Y 8.13 3.95 0.00 3.24 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 0.00 142 A 8.25 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 8.03 3.99 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 144 E 8.08 4.21 0.00 1.81 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 145 N 6.93 4.74 0.00 2.49 2.55 0.00 0.00 6.98 7.53 0.00 0.00 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 8.46 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 0.00 0.00 0.00 147 L 7.76 5.17 0.00 1.94 1.68 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 148 F 8.50 5.19 0.00 3.24 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 0.00 149 F 8.99 5.47 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 0.00 150 M 8.30 4.40 0.00 1.78 1.71 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.51 0.00 151 E 8.22 4.46 0.00 1.72 1.79 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 2.11 2.17 0.00 152 T 8.48 4.86 4.19 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 0.00 0.00 0.00 1.15 0.00 0.00 153 S 8.74 4.64 0.00 3.86 3.70 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 0.00 154 A 8.72 4.09 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 0.00 155 K 8.20 4.08 0.00 1.73 1.84 0.00 1.90 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.43 7.81 156 T 7.57 4.25 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 0.00 157 A 8.28 3.74 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 0.00 158 T 7.26 3.93 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 1.19 0.00 0.00 159 N 9.05 4.39 0.00 2.98 2.91 0.00 0.00 6.75 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 0.00 160 V 7.63 3.66 2.18 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 1.25 0.00 0.00 0.98 0.00 0.00 161 K 8.20 4.51 0.00 1.92 1.90 0.00 1.76 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.89 1.68 7.81 162 E 8.28 3.98 0.00 2.14 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 0.00 2.38 2.38 0.00 163 I 8.09 3.78 1.87 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.30 0.79 0.00 0.00 164 F 7.86 3.81 0.00 2.59 2.54 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 0.00 165 Y 8.57 4.18 0.00 3.25 3.08 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 0.00 166 E 8.92 3.99 0.00 2.19 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 0.00 1.92 1.49 0.00 167 I 7.73 3.89 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.69 1.02 0.00 0.00 168 A 8.21 4.26 1.41 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 0.00 0.00 169 R 7.87 3.92 0.00 2.04 2.09 0.00 3.40 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 170 R 7.53 4.17 0.00 1.87 1.97 0.00 3.03 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 171 L 7.09 4.17 0.00 1.85 1.63 1.04 1.06 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 0.00 172 P 0.00 4.46 0.00 2.18 2.03 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.