NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.3475 8.1329 112.9177 60.3281 70.5200 175.2764 7 D 4.3211 8.4702 123.1487 59.0490 39.6388 178.2210 8 T 4.1129 8.1459 117.6183 67.4070 69.1057 176.7268 9 E 3.9973 8.1230 119.6705 61.1387 29.6933 180.5802 10 N 4.5625 8.1891 117.2269 56.2320 38.5325 177.6191 11 I 3.7201 8.3744 121.8107 64.4247 37.1409 178.6493 12 S 4.1084 8.2700 115.2253 61.3759 62.7607 176.2195 13 E 3.8747 8.0992 122.5293 58.9184 29.3755 178.5534 14 L 3.7996 8.1067 120.5887 58.0337 42.1368 178.9909 15 L 4.2669 8.4630 121.8288 58.3604 41.5413 180.2212 16 K 4.1321 8.3831 123.9406 60.0425 31.5363 181.2011 17 T 4.1180 8.0231 116.9974 66.8971 68.3915 176.4138 18 Y 4.3976 8.1610 118.6849 60.8304 37.7559 178.6041 19 W 4.1288 8.6442 129.4404 60.5730 30.9044 178.0675 20 S 3.8410 8.6828 113.2803 61.2441 61.8372 176.1195 21 I 3.7115 8.1390 122.9121 64.4871 36.9106 178.1700 22 Q 3.9220 8.2029 120.3642 59.1051 28.6596 178.5125 23 R 3.5880 7.5921 119.2245 59.2186 29.8830 179.1125 24 I 3.6043 7.6345 119.5085 64.4787 37.0921 178.7563 25 S 4.3177 8.2032 115.7789 61.3562 62.5339 176.5293 26 A 4.1441 8.1688 123.8670 54.7500 18.1695 179.8988 27 G 3.3271 7.6126 104.6197 48.1366 0.0000 175.5729 28 Y 4.1985 7.7084 118.7013 60.3312 37.7947 178.0636 29 A 4.0551 7.9419 122.1573 55.1039 18.3823 179.3367 30 D 4.2412 8.2520 117.5863 57.7198 40.9300 179.1267 31 Q 3.6964 7.7413 117.9878 58.6606 28.3370 178.4040 32 N 4.2754 7.9145 117.0877 56.4567 39.3197 176.4777 33 A 4.1095 8.2628 122.3004 55.2796 18.6473 179.2737 34 A 3.9235 8.1411 119.6900 55.4569 18.1986 179.7839 35 S 4.3072 7.8302 110.7859 60.3847 63.3069 175.5051 36 L 4.5357 7.9478 121.2624 54.1611 42.0088 177.1341 37 G 3.9302 7.9132 106.8268 45.4239 0.0000 173.1366 38 L 4.9903 7.4699 117.4002 52.1509 45.5012 176.8671 39 T 4.3375 8.6329 111.8525 60.9376 71.2994 176.0506 40 I 3.6833 8.1381 121.9013 64.7293 36.8647 178.7104 41 Q 4.0162 7.9440 117.2363 59.0883 28.6884 178.3165 42 Q 4.1468 7.9666 118.0331 58.9592 28.9938 178.6460 43 L 4.1842 8.0011 119.7968 57.4683 41.6364 179.5221 44 A 4.0080 7.8725 116.9642 53.3747 18.2003 178.9897 *46 I 4.0765 7.6554 122.4402 62.7789 39.3573 178.0334 47 N 4.4596 8.6079 118.0647 56.2200 38.2593 177.7324 48 V 3.6244 7.9929 119.7669 66.1214 31.4214 178.2517 49 I 3.8034 7.7024 118.1015 64.2570 37.0551 177.3662 50 Y 4.5448 8.0932 120.1295 60.9313 38.7954 178.0634 51 S 4.2020 8.0243 113.6878 60.1188 64.7367 174.4701 52 T 4.6013 7.8639 118.7058 60.6249 68.4057 170.9776 53 P 4.4695 0.0000 0.0000 64.0774 32.3155 177.8157 54 G 3.9335 9.0579 110.7268 44.9883 0.0000 173.4617 55 I 3.7718 7.4486 120.4478 60.8392 38.7324 175.4848 56 S 4.9873 8.3344 121.4305 57.5266 65.5507 175.4211 57 V 3.5496 8.4080 122.7886 66.1586 31.1087 178.0926 58 A 3.9958 8.0709 119.9100 55.7092 18.1566 179.3172 59 D 4.3079 8.1314 117.0908 57.1847 40.8750 178.7344 60 L 3.9764 8.3185 121.7589 58.2136 41.9772 179.2187 61 T 3.8607 8.2700 110.1441 64.8658 68.5634 176.5670 62 K 3.9197 7.5844 121.7478 58.6809 32.2272 178.5145 63 R 4.0284 7.9233 118.4497 59.5571 30.1987 178.3904 64 L 4.0536 7.8606 116.8289 55.2068 42.6573 176.6078 65 I 3.1028 7.9141 118.2626 62.3142 34.0033 171.6284 66 I 4.7001 7.1583 111.9607 58.2719 41.3736 175.8973 67 T 4.3397 7.9539 110.3033 61.2785 70.9184 175.9967 68 G 3.5943 8.5229 108.4174 47.5515 0.0000 176.4604 69 S 4.1540 7.9559 117.5178 61.6059 63.0391 176.5521 70 S 4.0991 7.9880 116.5297 61.3961 62.7294 176.2767 71 A 3.9691 8.3747 124.6826 54.8099 18.1468 179.5311 72 A 3.9215 8.0103 118.7485 54.9902 18.5102 179.6673 73 A 3.9378 8.1522 119.3852 55.6056 18.6454 179.7174 74 N 4.3263 8.5558 115.3646 56.2358 38.5311 177.9547 75 V 3.5914 8.0149 119.8629 66.1557 31.6947 177.8073 76 D 4.4825 8.2610 118.7875 57.2511 40.6269 178.9738 77 G 3.6705 8.0334 106.0584 48.0055 0.0000 175.7892 78 L 4.0899 7.8565 121.0567 57.3162 41.5764 179.7230 79 I 4.0661 7.7289 121.3721 64.0041 36.8325 178.6186 80 S 4.1713 8.3344 115.3522 61.1972 62.7327 175.8607 81 L 4.3834 7.8849 119.0842 54.1964 41.6507 177.1968 82 G 3.8888 7.8552 106.9936 46.5752 0.0000 174.8070 83 L 4.3824 8.2538 121.0454 55.0824 42.5004 176.6490 84 V 5.0824 7.3937 118.1491 61.1047 35.1295 173.9519 85 V 4.5455 8.7267 126.0359 59.6389 34.7461 174.9167 86 K 4.4656 8.5821 121.0423 56.5122 32.4404 176.5396 87 L 4.4096 8.9258 122.7054 56.4775 43.8603 177.7536 *97 D 4.6080 7.9474 114.6449 53.6326 43.0270 175.3744 98 L 4.4299 7.8815 121.8937 54.8334 43.7461 175.3434 99 T 5.1256 8.4792 115.4090 59.9993 71.4956 173.0222 100 L 5.4966 8.7131 123.9623 53.0169 46.0251 175.5446 101 K 4.9692 8.4678 119.5542 55.2313 36.2525 175.6252 102 L 4.6451 8.6051 122.3706 54.9195 42.7322 177.8471 103 S 4.5208 8.5009 117.9085 57.3260 65.9731 175.1928 104 K 3.9036 8.4040 121.1429 59.5016 31.9571 178.4657 105 K 4.0200 8.0583 119.7257 59.3070 32.2401 178.8698 106 G 3.5540 8.0671 106.0609 47.7678 0.0000 175.4617 107 E 3.3963 8.1626 121.2295 59.0430 29.3885 179.0803 108 D 4.3172 8.0174 118.7490 57.6061 40.9169 179.1121 109 L 4.0411 7.7716 118.7466 57.3796 41.5666 179.5230 110 S 3.9929 7.7107 113.3114 61.1950 62.3312 176.1574 111 K 4.0086 7.7853 122.4636 59.1012 31.6493 179.4894 112 R 4.2844 7.5872 115.9880 58.5720 30.0018 178.7074 113 S 4.2898 7.7323 113.2598 61.2173 62.2045 175.9460 114 T 4.1419 8.0390 112.2915 64.2144 70.0351 175.1382 115 A 4.5405 8.0622 126.4826 50.4162 16.4245 175.9785 116 N 4.4938 8.0994 117.3525 52.5226 39.3043 174.2676 117 A 4.0690 8.7771 130.3085 55.4648 18.8066 179.7330 118 F 4.3390 8.3902 111.2804 58.6308 38.3749 176.8795 *120 Y 4.0915 8.1204 122.2211 58.6175 39.5172 177.4268 121 K 3.9885 8.1452 119.4844 57.5840 32.1825 179.9234 122 A 4.2302 7.3967 124.1358 51.5938 14.2819 177.5707 *125 K 4.4679 7.8978 121.4240 55.8012 35.0204 179.0782 126 V 3.8420 7.7059 118.3157 65.8883 31.9056 178.0893 127 F 4.3794 8.4260 118.2022 60.6345 38.8902 177.1738 128 E 4.1182 7.7622 117.8430 58.6111 29.2980 177.3962 129 N 4.9922 8.0460 115.0506 52.6242 38.9779 174.2025 130 L 4.9587 7.7019 117.5190 52.5991 45.3126 177.0756 131 T 4.3344 8.7584 112.1834 60.7554 71.4503 175.5569 132 E 3.8166 8.5830 122.0646 59.7383 29.6367 178.8741 133 N 4.3372 8.0276 115.8644 56.2571 38.5960 177.1388 134 E 3.9127 8.3676 120.1935 59.3284 29.6824 179.3857 135 I 3.4145 7.8678 122.3872 64.9760 37.1984 178.9152 136 E 3.9652 8.0963 119.0263 61.1508 29.4392 180.5561 137 E 4.1871 8.1081 120.1134 58.5865 29.8132 178.3217 138 L 3.9379 8.1991 120.9517 58.2553 42.1207 179.1722 139 I 3.7002 7.6024 119.0598 64.3710 37.1287 178.1769 140 R 3.9002 7.8205 119.3072 59.6591 29.9028 178.5295 141 L 4.0108 8.2920 118.9031 57.9940 41.6324 179.3432 142 N 4.5216 8.1984 116.2456 56.1153 38.3997 177.4367 143 K 4.0011 8.2362 121.2574 59.1261 32.1822 178.8628 144 K 3.9876 8.0385 120.2814 59.0591 32.0625 179.0846 145 V 3.5809 7.9146 118.7319 65.8876 31.5282 177.4379 146 E 3.8966 8.2743 119.0519 59.7948 29.2611 178.9834 147 T 3.8848 8.0555 115.5738 66.7408 68.2989 176.7717 148 L 4.0373 7.9730 119.8696 57.6004 41.6751 179.2351 149 L 4.1521 8.1489 119.2258 57.7620 41.3500 179.6855 150 K 4.2097 8.1015 119.7894 59.6625 31.9908 179.9323 151 K 4.2354 7.6740 126.0245 59.9436 31.6806 182.0138 152 S 4.5655 7.5946 117.5962 58.4628 62.3014 177.2862 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 6 T 8.13 4.35 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 7 D 8.47 4.32 0.00 2.76 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.15 4.11 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 9 E 8.12 4.00 0.00 1.97 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 2.31 1.97 0.00 10 N 8.19 4.56 0.00 2.89 2.88 0.00 0.00 7.00 7.33 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 11 I 8.37 3.72 2.00 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 1.60 0.87 0.94 0.00 0.00 12 S 8.27 4.11 0.00 4.02 4.11 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 0.00 0.00 0.00 13 E 8.10 3.87 0.00 2.23 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 2.28 2.33 0.00 14 L 8.11 3.80 0.00 1.71 1.76 0.35 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.46 4.27 0.00 1.76 1.78 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.38 4.13 0.00 1.75 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 17 T 8.02 4.12 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 1.15 0.00 0.00 18 Y 8.16 4.40 0.00 3.22 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 19 W 8.64 4.13 0.00 3.56 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 20 S 8.68 3.84 0.00 4.14 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 21 I 8.14 3.71 2.11 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 1.46 0.90 0.96 0.00 0.00 22 Q 8.20 3.92 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 23 R 7.59 3.59 0.00 1.63 1.55 0.00 3.30 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 1.65 1.54 0.00 24 I 7.63 3.60 2.02 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 1.47 1.06 1.00 0.00 0.00 25 S 8.20 4.32 0.00 3.99 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 26 A 8.17 4.14 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 27 G 7.61 3.33 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 28 Y 7.71 4.20 0.00 3.14 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 29 A 7.94 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.25 4.24 0.00 2.86 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 31 Q 7.74 3.70 0.00 1.83 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.14 2.34 0.00 32 N 7.91 4.28 0.00 3.12 3.04 0.00 0.00 7.20 7.58 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 33 A 8.26 4.11 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.14 3.92 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 35 S 7.83 4.31 0.00 4.27 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 36 L 7.95 4.54 0.00 1.77 1.75 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.91 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 38 L 7.47 4.99 0.00 1.59 1.53 0.91 0.97 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 39 T 8.63 4.34 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 1.20 0.00 0.00 40 I 8.14 3.68 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.11 0.90 0.00 0.00 41 Q 7.94 4.02 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.06 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 42 Q 7.97 4.15 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 43 L 8.00 4.18 0.00 1.87 1.72 0.92 0.92 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 44 A 7.87 4.01 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 *46 I 7.66 4.08 2.01 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 1.57 0.81 0.86 0.00 0.00 47 N 8.61 4.46 0.00 2.86 2.93 0.00 0.00 6.70 7.45 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 48 V 7.99 3.62 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 1.05 0.00 0.00 1.02 0.00 0.00 49 I 7.70 3.80 2.04 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 1.55 0.68 0.97 0.00 0.00 50 Y 8.09 4.54 0.00 2.93 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 51 S 8.02 4.20 0.00 4.04 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 52 T 7.86 4.60 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 1.21 0.00 0.00 53 P 0.00 4.47 0.00 2.18 2.09 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 54 G 9.06 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 55 I 7.45 3.77 2.06 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 1.36 1.33 0.96 0.00 0.00 56 S 8.33 4.99 0.00 4.09 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 57 V 8.41 3.55 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 1.09 0.00 0.00 0.94 0.00 0.00 58 A 8.07 4.00 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 59 D 8.13 4.31 0.00 2.84 2.73 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 60 L 8.32 3.98 0.00 1.84 1.92 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.27 3.86 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 1.26 0.00 0.00 62 K 7.58 3.92 0.00 1.72 1.88 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.49 7.81 63 R 7.92 4.03 0.00 1.98 2.12 0.00 3.37 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 64 L 7.86 4.05 0.00 1.68 1.72 0.93 0.70 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 65 I 7.91 3.10 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 1.51 0.52 0.92 0.00 0.00 66 I 7.16 4.70 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 1.47 0.67 0.91 0.00 0.00 67 T 7.95 4.34 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 68 G 8.52 3.59 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 0.00 69 S 7.96 4.15 0.00 3.88 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 70 S 7.99 4.10 0.00 4.09 4.12 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 71 A 8.37 3.97 1.39 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 0.00 0.00 72 A 8.01 3.92 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 3.94 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 74 N 8.56 4.33 0.00 2.87 2.88 0.00 0.00 6.73 7.23 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 75 V 8.01 3.59 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 1.04 0.00 0.00 1.05 0.00 0.00 76 D 8.26 4.48 0.00 2.89 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 77 G 8.03 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.86 4.09 0.00 1.87 1.72 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.73 4.07 2.02 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 1.71 1.67 0.91 0.00 0.00 80 S 8.33 4.17 0.00 3.93 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 81 L 7.88 4.38 0.00 1.62 1.70 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.86 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 83 L 8.25 4.38 0.00 1.67 1.69 0.91 0.63 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 84 V 7.39 5.08 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 1.01 0.00 0.00 0.93 0.00 0.00 85 V 8.73 4.55 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 0.86 0.00 0.00 0.93 0.00 0.00 86 K 8.58 4.47 0.00 1.67 1.78 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.47 7.81 87 L 8.93 4.41 0.00 1.67 1.66 0.93 1.04 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 *97 D 7.95 4.61 0.00 2.59 2.73 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 98 L 7.88 4.43 0.00 1.78 1.52 0.92 0.68 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 99 T 8.48 5.13 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 1.21 0.00 0.00 100 L 8.71 5.50 0.00 1.60 1.56 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.47 4.97 0.00 1.76 1.87 0.00 1.34 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.44 7.81 102 L 8.61 4.65 0.00 1.59 1.61 0.84 0.98 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 0.00 103 S 8.50 4.52 0.00 4.05 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.40 3.90 0.00 1.88 1.83 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.54 7.81 105 K 8.06 4.02 0.00 1.88 1.76 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.54 7.81 106 G 8.07 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.16 3.40 0.00 2.08 1.78 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 2.16 2.47 0.00 108 D 8.02 4.32 0.00 2.81 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 0.00 109 L 7.77 4.04 0.00 1.67 1.68 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.71 3.99 0.00 3.65 3.53 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 0.00 0.00 0.00 0.00 111 K 7.79 4.01 0.00 1.99 1.83 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.42 7.81 112 R 7.59 4.28 0.00 1.75 2.00 0.00 3.14 0.00 0.00 3.13 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 113 S 7.73 4.29 0.00 4.00 4.12 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 0.00 114 T 8.04 4.14 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 1.33 0.00 0.00 115 A 8.06 4.54 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 0.00 116 N 8.10 4.49 0.00 2.80 2.91 0.00 0.00 7.25 7.96 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 0.00 117 A 8.78 4.07 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.39 4.34 0.00 3.37 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 *120 Y 8.12 4.09 0.00 2.99 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 0.00 121 K 8.15 3.99 0.00 1.77 1.73 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.27 7.81 122 A 7.40 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *125 K 7.90 4.47 0.00 2.01 1.93 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.57 7.81 126 V 7.71 3.84 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 1.10 0.00 0.00 1.00 0.00 0.00 127 F 8.43 4.38 0.00 3.01 3.07 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 0.00 128 E 7.76 4.12 0.00 2.16 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 2.39 2.34 0.00 129 N 8.05 4.99 0.00 2.86 2.81 0.00 0.00 6.75 7.43 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 0.00 130 L 7.70 4.96 0.00 1.56 1.38 0.81 0.68 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 0.00 131 T 8.76 4.33 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 1.21 0.00 0.00 132 E 8.58 3.82 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 133 N 8.03 4.34 0.00 2.74 2.82 0.00 0.00 7.14 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 0.00 134 E 8.37 3.91 0.00 2.15 1.92 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 2.29 2.31 0.00 135 I 7.87 3.41 1.77 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.80 0.55 0.00 0.00 136 E 8.10 3.97 0.00 1.99 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 2.25 2.19 0.00 137 E 8.11 4.19 0.00 2.24 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 2.29 2.34 0.00 138 L 8.20 3.94 0.00 1.84 1.81 0.95 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 0.00 139 I 7.60 3.70 1.88 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 1.49 0.82 0.95 0.00 0.00 140 R 7.82 3.90 0.00 2.00 1.94 0.00 3.10 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 1.64 1.69 0.00 141 L 8.29 4.01 0.00 1.78 1.72 0.92 0.57 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 0.00 142 N 8.20 4.52 0.00 2.94 2.96 0.00 0.00 6.70 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.24 4.00 0.00 2.04 1.98 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.46 7.81 144 K 8.04 3.99 0.00 2.02 1.96 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.45 7.81 145 V 7.91 3.58 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 1.03 0.00 0.00 1.06 0.00 0.00 146 E 8.27 3.90 0.00 2.15 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 0.00 2.30 2.34 0.00 147 T 8.06 3.88 4.41 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 1.22 0.00 0.00 148 L 7.97 4.04 0.00 1.67 1.74 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.15 4.15 0.00 1.88 1.71 0.90 0.77 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 0.00 150 K 8.10 4.21 0.00 1.89 1.87 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.61 7.81 151 K 7.67 4.24 0.00 1.84 1.73 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.32 7.81 152 S 7.59 4.57 0.00 3.67 3.65 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.