NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6715 8.4093 119.2053 52.8464 40.7822 173.1077 4 E 4.5566 7.6972 113.7828 53.9963 32.7657 173.5235 5 D 4.4392 9.3124 120.6027 54.5655 41.7221 177.9064 6 L 4.1034 8.4610 124.4083 55.2985 42.4726 176.9542 7 F 5.0521 7.7158 115.9276 55.5303 42.0799 175.0894 8 I 4.0759 8.8249 126.6632 63.6975 37.4806 175.6227 9 C 4.6774 7.4697 114.0037 57.5554 32.4136 172.4411 10 I 4.1994 8.2987 120.5330 61.4074 36.8132 176.0060 11 D 4.6951 9.6111 128.6745 57.2975 41.9302 175.4470 12 H 5.3620 7.8953 109.9950 54.7019 31.6359 172.5904 13 V 4.4568 8.7336 119.3254 61.1187 33.8591 174.2896 14 A 4.9455 9.0193 130.5155 51.2987 20.3879 175.3188 15 Y 5.0865 9.2745 122.4869 55.7562 41.8227 174.1145 16 A 4.2879 8.1406 129.5587 51.0556 20.8166 175.6658 17 C 4.5749 7.7722 115.0111 56.4914 32.8921 173.3778 18 P 4.1747 0.0000 0.0000 64.8507 31.3040 176.9293 19 D 4.5239 7.7593 116.5087 51.4568 43.6639 175.3119 20 A 3.9735 8.4963 130.0531 55.2335 18.4849 178.3503 21 D 4.3138 8.1389 116.1166 57.3540 41.2781 177.9056 22 E 3.9192 8.6198 119.5795 59.2057 29.6053 178.6129 23 A 4.1203 8.0478 120.7561 55.3144 18.4918 179.5057 24 S 4.0094 8.5507 112.0123 61.4302 62.3998 176.1568 25 K 3.9356 8.4316 122.6682 59.7666 31.8212 178.0915 26 Y 3.9876 8.3408 119.8099 60.9447 38.6523 177.5008 27 Y 3.6947 8.4880 117.8816 60.9643 37.9227 178.7147 28 Q 4.6201 8.3139 120.3161 58.5135 28.8114 178.1451 29 E 3.8812 8.1783 119.1999 59.1967 29.7539 178.3396 30 T 3.9848 7.3787 114.1962 65.3361 69.1951 176.0686 31 F 4.6930 7.3921 116.0112 57.2967 39.5975 176.4386 32 G 3.9057 7.9521 108.0014 46.1380 0.0000 173.8460 33 W 4.6611 8.5265 119.9280 56.1205 31.0656 174.8855 34 H 5.2227 9.4598 118.4386 54.1017 30.9956 173.7203 35 E 4.4011 8.8942 123.5646 55.4744 29.5182 175.5461 36 L 4.4094 8.7432 127.3840 56.8504 42.9452 176.7498 37 H 4.8969 7.7590 113.2480 54.6471 32.7142 172.4871 38 R 5.0509 8.2505 117.7650 54.8659 32.3541 174.1775 39 E 4.7453 9.3549 118.9650 55.1406 33.3959 173.4903 40 E 4.8915 8.8286 122.5197 54.8246 31.7450 175.1616 41 N 4.8247 9.1556 125.1180 50.9958 39.2129 173.2423 42 P 4.3265 0.0000 0.0000 65.4165 31.8943 178.2657 43 E 4.1044 8.2928 117.8248 59.3524 29.5057 177.9596 44 Q 4.0677 8.4683 115.6699 56.1287 29.5392 175.7561 45 G 3.8834 8.2839 106.4735 46.1251 0.0000 173.3742 46 V 4.9538 7.2411 109.7338 59.5761 36.9078 175.2564 47 V 4.8126 8.5768 123.3177 61.1858 33.6857 174.6424 48 E 4.9600 9.1226 126.7571 54.9947 32.9765 175.2417 49 I 5.0040 8.5631 123.9509 58.7601 41.6600 174.2646 *52 A 4.3139 8.4724 124.0975 52.1594 19.3408 176.0590 53 P 2.9700 0.0000 0.0000 63.3693 31.6558 175.9923 54 A 4.6202 7.1054 120.2946 50.0020 22.2775 175.8281 55 A 3.8642 8.2765 122.3258 53.9290 18.7348 178.5223 56 K 4.5938 7.5931 113.9007 54.4082 34.6438 175.6637 57 L 4.3095 8.3477 123.4699 54.2265 42.5765 176.8568 58 T 4.3804 8.1546 113.0154 60.1191 70.5496 174.4028 59 E 3.8979 8.6667 123.3390 59.3025 29.4890 176.8994 60 H 4.6676 7.9336 115.5524 54.2003 29.8971 174.3705 *62 T 4.3334 8.1888 120.6168 63.5740 69.6718 173.1680 63 Q 4.9395 8.5634 122.9929 54.3302 32.7055 174.2699 64 V 4.8704 8.6511 119.8194 61.4194 33.6832 174.3785 65 Q 4.6001 9.1960 130.3110 54.7500 30.3802 175.3752 66 V 4.6077 8.9217 127.7091 61.3676 33.8363 174.2525 *68 A 4.9400 8.5232 122.5623 50.9472 19.9852 174.3436 69 P 4.6751 0.0000 0.0000 62.9563 31.7850 175.9108 70 L 4.5456 8.7782 124.7720 56.3155 42.9592 176.0726 71 N 5.1199 7.8050 113.9422 50.7841 40.3571 174.8986 72 D 4.2007 8.6553 118.7827 57.0881 41.0311 177.6790 73 E 4.2135 7.6687 117.4276 57.6732 30.1705 177.7938 74 S 4.3611 8.2229 115.1732 58.3234 64.8979 175.3177 75 T 3.9153 8.3715 113.5350 64.9730 68.4455 176.7936 76 V 3.5657 7.7686 120.3851 65.7395 31.6287 177.6816 77 A 4.0395 7.9024 120.0639 55.2361 18.2179 179.8240 78 K 4.0098 8.1556 116.8865 59.0056 31.6357 179.5777 79 W 4.0354 8.4117 128.9811 60.4433 30.7326 178.0733 80 L 4.2111 8.6653 119.0924 57.8712 41.0907 179.3383 81 A 3.9918 8.1820 120.6818 55.0806 18.1559 179.4432 82 K 3.9833 7.8256 116.1574 58.4013 32.4224 177.0203 83 H 4.5566 7.2001 115.4813 55.3714 29.3535 173.6977 84 N 3.9378 8.4284 114.1310 54.7427 36.1400 175.0670 85 G 3.8943 8.4535 102.1269 46.2311 0.0000 173.5278 86 R 4.3104 7.6420 119.7516 54.3128 30.5118 176.1819 87 A 4.3991 8.7650 127.5607 52.4353 19.5506 176.1705 88 G 4.2667 8.4643 106.3323 45.6911 0.0000 172.5073 89 L 4.6695 8.9657 120.3658 55.7785 41.4542 176.7167 90 H 4.4616 8.9961 124.6410 57.2696 30.7415 173.8454 91 H 4.4893 7.7176 115.8183 55.5912 34.6851 172.7015 *93 A 4.3942 8.2707 117.8265 51.5392 20.3972 175.5338 94 W 5.2988 9.1200 121.6272 54.8672 32.0332 175.3295 95 R 4.7842 9.0702 125.5049 56.1822 30.8453 175.5267 96 V 4.6622 8.4364 118.2559 59.7128 34.9597 175.6763 97 D 4.2354 8.8131 122.8795 56.7286 41.5293 176.5708 98 D 4.8022 7.6189 120.5452 51.6870 43.3248 175.3083 99 I 3.6984 9.2657 128.7656 63.7254 38.0705 177.4142 100 D 4.3044 8.1513 119.3823 57.2395 40.7885 178.2356 101 A 3.9370 8.8422 121.3764 55.2840 18.3736 179.7886 102 V 3.4387 7.8186 116.7148 66.2349 31.4369 178.4171 103 S 4.1189 8.2907 114.7063 61.5596 62.6797 176.5360 104 A 3.9925 7.9503 123.2901 55.3329 17.8538 179.9010 105 T 3.7977 7.6897 113.3824 66.6732 68.8696 176.5916 106 L 4.1768 8.2076 121.1645 58.0764 41.6643 179.7605 107 R 4.5500 8.1872 119.4073 58.8514 29.7995 178.6452 108 E 3.9783 8.0341 117.9041 58.9688 29.5503 178.1148 109 R 4.4700 7.7730 115.7614 55.7888 30.4095 177.2996 110 G 3.9437 8.3076 108.1175 44.9659 0.0000 174.2628 111 V 3.7475 7.5495 120.4882 62.4900 32.1963 174.4393 112 Q 4.7012 8.2076 126.5104 54.3482 29.8218 175.0539 113 L 4.7275 8.0751 122.8349 52.7010 43.6668 176.1907 114 L 4.0573 8.9796 125.8683 57.9608 42.0505 176.9642 115 Y 5.0909 7.7888 114.0459 56.4103 40.0819 175.6721 116 D 4.5812 8.8473 122.0502 56.1006 41.5163 176.8078 117 E 4.7169 7.8847 118.1208 53.0992 32.1092 173.3428 118 P 4.6211 0.0000 0.0000 63.4400 32.2224 176.0185 119 K 4.4216 9.2950 122.8169 54.9928 34.7567 175.4819 120 L 4.6297 8.3552 121.8963 54.5749 42.3481 177.1903 121 G 4.3794 9.0375 115.2252 44.3109 0.0000 172.4668 122 T 4.1040 8.3199 109.6113 62.5894 69.6564 175.5831 123 G 3.8410 8.9514 111.5160 45.5070 0.0000 174.0425 124 G 3.8674 7.7456 105.2339 45.8180 0.0000 173.8876 125 N 4.8240 7.6494 115.4530 52.9675 40.3327 174.2989 126 R 5.0521 8.5843 120.9203 55.0253 31.9652 175.7683 127 I 5.5698 8.8773 116.9740 58.5052 41.8517 173.4140 128 N 5.2588 7.8959 119.0834 52.8105 42.2857 172.4588 129 F 5.1345 8.1750 121.9628 55.8606 43.3158 174.5824 *131 H 4.7665 8.7703 121.6957 55.7581 29.7839 172.3377 132 P 4.2366 0.0000 0.0000 65.6449 30.6809 178.5067 133 K 4.0129 7.9549 119.3921 59.2772 32.1078 178.0255 134 S 4.5939 8.6845 113.7077 59.5129 63.1253 175.4190 135 G 4.0021 7.6335 107.8603 42.3751 0.0000 172.5965 136 K 3.6431 8.0318 118.0988 57.1317 28.9160 177.4013 137 G 4.0482 8.8740 106.8162 45.0891 0.0000 172.7228 138 V 4.2932 7.0796 118.4832 60.6011 33.4801 173.9597 139 L 4.4409 8.4825 129.1926 54.8200 42.9334 175.6261 140 I 4.1655 8.2426 127.2890 59.3829 39.7487 174.3039 141 E 4.2277 8.4723 128.0455 54.8166 31.8638 174.2991 142 L 5.1852 8.5395 125.6978 53.3135 44.3541 175.4356 143 T 5.1749 8.8214 117.6190 60.3806 71.4633 172.0895 144 Q 4.9500 8.9148 128.5727 54.3758 32.1644 174.3280 145 Y 5.0657 8.5862 123.4494 57.1828 39.1330 173.8305 146 P 4.3722 0.0000 0.0000 62.6968 32.0389 176.9517 147 K 4.2225 8.6339 121.6034 56.5377 32.2543 176.1909 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 3 N 8.41 4.67 0.00 2.70 2.90 0.00 0.00 6.78 6.77 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 4 E 7.70 4.56 0.00 2.12 1.87 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 2.12 2.31 0.00 5 D 9.31 4.44 0.00 2.64 2.65 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 6 L 8.46 4.10 0.00 1.34 0.87 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.72 5.05 0.00 2.85 2.89 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 8 I 8.82 4.08 1.86 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 1.26 0.44 0.91 0.00 0.00 9 C 7.47 4.68 0.00 2.95 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 10 I 8.30 4.20 1.91 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 1.09 0.35 1.12 0.00 0.00 11 D 9.61 4.70 0.00 2.86 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 12 H 7.90 5.36 0.00 3.33 3.30 0.00 5.53 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.73 4.46 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.03 0.00 0.00 14 A 9.02 4.95 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 15 Y 9.27 5.09 0.00 2.90 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 16 A 8.14 4.29 0.45 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 17 C 7.77 4.57 0.00 2.80 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.17 0.00 2.06 2.15 0.00 3.60 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 19 D 7.76 4.52 0.00 2.63 2.48 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 A 8.50 3.97 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 21 D 8.14 4.31 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.62 3.92 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 23 A 8.05 4.12 1.53 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 0.00 0.00 24 S 8.55 4.01 0.00 3.86 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 25 K 8.43 3.94 0.00 2.01 2.03 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.48 7.81 26 Y 8.34 3.99 0.00 3.13 3.17 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 27 Y 8.49 3.69 0.00 3.30 3.11 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 28 Q 8.31 4.62 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 29 E 8.18 3.88 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 30 T 7.38 3.98 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 31 F 7.39 4.69 0.00 2.97 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 32 G 7.95 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 0.00 0.00 0.00 33 W 8.53 4.66 0.00 3.64 3.46 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 0.00 0.00 0.00 0.00 34 H 9.46 5.22 0.00 3.09 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.89 4.40 0.00 2.05 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 2.28 2.37 0.00 36 L 8.74 4.41 0.00 1.78 1.78 1.02 1.15 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 37 H 7.76 4.90 0.00 3.20 3.14 0.00 5.81 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.25 5.05 0.00 1.87 2.00 0.00 3.15 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 39 E 9.35 4.75 0.00 2.03 2.04 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 2.19 2.34 0.00 40 E 8.83 4.89 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 41 N 9.16 4.82 0.00 2.71 2.69 0.00 0.00 6.53 7.44 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 42 P 0.00 4.33 0.00 2.21 2.17 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 43 E 8.29 4.10 0.00 2.13 2.04 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 2.31 2.27 0.00 44 Q 8.47 4.07 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 45 G 8.28 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.24 4.95 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 0.72 0.00 0.00 0.92 0.00 0.00 47 V 8.58 4.81 2.06 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 0.77 0.00 0.00 0.96 0.00 0.00 48 E 9.12 4.96 0.00 2.15 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 2.18 2.22 0.00 49 I 8.56 5.00 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 1.11 1.81 0.96 0.00 0.00 *52 A 8.47 4.31 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 53 P 0.00 2.97 0.00 1.63 0.78 0.00 3.32 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 54 A 7.11 4.62 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.28 3.86 1.11 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 0.00 0.00 56 K 7.59 4.59 0.00 1.68 1.68 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.32 7.81 57 L 8.35 4.31 0.00 1.63 1.61 0.93 0.94 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 58 T 8.15 4.38 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 1.19 0.00 0.00 59 E 8.67 3.90 0.00 1.91 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 2.07 2.31 0.00 60 H 7.93 4.67 0.00 3.12 3.22 0.00 5.98 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *62 T 8.19 4.33 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 1.39 0.00 0.00 63 Q 8.56 4.94 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 64 V 8.65 4.87 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 0.68 0.00 0.00 1.06 0.00 0.00 65 Q 9.20 4.60 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 66 V 8.92 4.61 2.04 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 1.14 0.00 0.00 0.79 0.00 0.00 *68 A 8.52 4.94 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 69 P 0.00 4.68 0.00 2.09 2.15 0.00 3.92 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 1.98 1.97 0.00 70 L 8.78 4.55 0.00 1.75 1.71 0.98 0.92 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 71 N 7.80 5.12 0.00 2.92 2.83 0.00 0.00 6.29 8.07 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 72 D 8.66 4.20 0.00 2.67 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.67 4.21 0.00 1.95 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 2.33 2.39 0.00 74 S 8.22 4.36 0.00 4.09 4.08 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 75 T 8.37 3.92 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 1.22 0.00 0.00 76 V 7.77 3.57 2.06 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 1.04 0.00 0.00 0.83 0.00 0.00 77 A 7.90 4.04 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 78 K 8.16 4.01 0.00 2.06 1.90 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.70 7.81 79 W 8.41 4.04 0.00 3.55 3.40 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 80 L 8.67 4.21 0.00 1.99 1.81 0.99 1.37 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 81 A 8.18 3.99 1.37 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 0.00 0.00 82 K 7.83 3.98 0.00 1.73 1.67 0.00 1.62 0.00 0.00 1.45 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.05 1.28 7.81 83 H 7.20 4.56 0.00 2.80 2.88 0.00 6.02 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.43 3.94 0.00 2.84 2.85 0.00 0.00 6.80 7.72 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 85 G 8.45 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 86 R 7.64 4.31 0.00 1.82 2.00 0.00 3.29 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 87 A 8.77 4.40 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 G 8.46 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 89 L 8.97 4.67 0.00 1.65 1.73 1.03 1.05 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 90 H 9.00 4.46 0.00 2.43 3.06 0.00 5.79 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 91 H 7.72 4.49 0.00 3.43 3.22 0.00 5.54 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *93 A 8.27 4.39 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 94 W 9.12 5.30 0.00 3.05 2.84 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 95 R 9.07 4.78 0.00 1.84 1.73 0.00 2.72 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.12 0.00 96 V 8.44 4.66 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 0.74 0.00 0.00 0.98 0.00 0.00 97 D 8.81 4.24 0.00 2.57 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 98 D 7.62 4.80 0.00 2.66 2.45 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 99 I 9.27 3.70 1.88 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 1.54 1.20 0.99 0.00 0.00 100 D 8.15 4.30 0.00 3.04 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.84 3.94 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 0.00 102 V 7.82 3.44 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.83 0.00 0.00 103 S 8.29 4.12 0.00 4.05 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 0.00 104 A 7.95 3.99 1.37 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 0.00 0.00 105 T 7.69 3.80 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 1.21 0.00 0.00 106 L 8.21 4.18 0.00 1.84 1.77 1.07 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.19 4.55 0.00 1.89 1.99 0.00 3.28 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 108 E 8.03 3.98 0.00 2.15 2.27 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 2.33 2.37 0.00 109 R 7.77 4.47 0.00 2.00 1.96 0.00 3.24 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 110 G 8.31 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 0.00 0.00 0.00 111 V 7.55 3.75 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 0.99 0.00 0.00 0.97 0.00 0.00 112 Q 8.21 4.70 0.00 1.88 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.42 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 113 L 8.08 4.73 0.00 1.63 1.75 0.94 1.06 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 0.00 114 L 8.98 4.06 0.00 1.36 1.22 0.77 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 7.79 5.09 0.00 3.16 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 0.00 116 D 8.85 4.58 0.00 2.73 2.76 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 0.00 117 E 7.88 4.72 0.00 1.88 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.34 0.00 118 P 0.00 4.62 0.00 2.00 2.03 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 119 K 9.30 4.42 0.00 1.54 1.56 0.00 1.32 0.00 0.00 1.36 0.00 0.00 2.36 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.62 0.21 7.81 120 L 8.36 4.63 0.00 1.52 1.60 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 121 G 9.04 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 0.00 0.00 0.00 0.00 122 T 8.32 4.10 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 1.31 0.00 0.00 123 G 8.95 3.84 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 0.00 124 G 7.75 3.87 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 0.00 125 N 7.65 4.82 0.00 2.86 2.84 0.00 0.00 6.97 7.54 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 0.00 126 R 8.58 5.05 0.00 1.83 1.88 0.00 3.08 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 127 I 8.88 5.57 1.83 0.00 0.00 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 1.37 1.11 0.99 0.00 0.00 128 N 7.90 5.26 0.00 2.84 2.66 0.00 0.00 6.62 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 0.00 129 F 8.18 5.13 0.00 2.76 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 *131 H 8.77 4.77 0.00 3.19 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.24 0.00 2.24 2.32 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 133 K 7.95 4.01 0.00 1.85 1.86 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.53 7.81 134 S 8.68 4.59 0.00 3.93 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 G 7.63 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 0.00 136 K 8.03 3.64 0.00 2.04 1.93 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.54 7.81 137 G 8.87 4.05 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 0.00 138 V 7.08 4.29 2.06 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 0.95 0.00 0.00 0.96 0.00 0.00 139 L 8.48 4.44 0.00 1.67 1.60 0.88 0.83 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 0.00 140 I 8.24 4.17 1.38 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.71 -0.64 0.00 0.00 141 E 8.47 4.23 0.00 1.91 1.62 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 1.81 1.47 0.00 142 L 8.54 5.19 0.00 1.70 1.56 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.82 5.17 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 0.00 144 Q 8.91 4.95 0.00 2.15 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.59 0.00 145 Y 8.59 5.07 0.00 2.85 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 0.00 146 P 0.00 4.37 0.00 2.04 2.01 0.00 3.63 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 2.00 2.33 0.00 147 K 8.63 4.22 0.00 1.75 1.71 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.