NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4340 8.1927 115.4138 57.6140 64.7908 173.9369 3 L 3.7411 8.5303 121.0224 58.2559 41.5628 177.2394 4 N 4.3839 8.0017 116.3909 56.5173 38.7433 176.9621 5 T 3.9577 7.4817 109.8361 64.5709 68.9156 176.3950 6 E 4.0834 7.7744 120.5819 59.2943 29.8183 178.7651 7 I 3.9159 7.6593 119.7145 64.5453 37.2321 180.0009 8 E 4.2229 8.0936 117.2380 56.8044 29.1491 178.8402 *10 N 4.6582 8.1670 118.5353 53.4770 40.9210 176.8634 11 E 3.9787 8.5449 118.0568 59.1046 29.4165 179.2499 12 L 3.8481 8.0213 120.4742 58.0853 42.1162 178.8971 13 L 3.8914 7.7741 118.4266 57.9266 41.3495 179.2162 14 E 3.9294 8.2885 117.7493 59.2340 29.5180 179.2154 15 K 4.0737 7.9938 118.1866 59.5932 32.0871 179.3204 16 A 4.0053 8.0489 120.7701 54.8430 18.0140 179.7420 17 K 3.9521 8.0934 116.5307 59.0055 32.1194 178.6704 18 K 4.3333 7.7741 117.3334 55.8572 32.2319 176.5014 19 I 4.1205 7.0351 121.4398 61.2980 37.6031 175.7653 20 K 4.5448 9.1267 123.8106 56.3019 34.6636 175.4884 21 C 5.0995 7.6006 120.6877 57.8853 35.2198 171.9063 22 L 5.0417 8.9728 128.6747 53.8697 43.7672 174.8316 23 I 5.0625 8.9294 127.2986 59.8464 39.8242 174.3641 24 C 4.9005 9.0046 124.3203 57.7221 31.3328 173.3495 25 D 4.7590 8.0738 121.7252 53.7985 41.6759 174.9796 26 V 3.9685 8.5454 120.4224 64.5980 32.3907 174.9028 27 D 4.5839 7.8163 120.4053 55.6297 41.6957 177.0208 28 G 3.9857 9.5754 114.1187 45.1001 0.0000 173.6981 29 V 4.0663 7.4869 115.8742 64.4631 33.2899 177.1588 30 L 4.3102 8.3245 119.0433 55.8472 42.3483 176.7611 31 S 4.8805 7.8237 112.0910 54.8251 65.5738 174.3129 32 D 4.9493 7.7512 118.5868 54.2472 39.1004 177.2718 33 G 3.9580 7.6108 107.7130 45.1473 0.0000 173.8643 34 L 4.2270 7.7236 119.4009 53.9017 42.5603 176.1855 35 L 4.5387 8.1414 121.5966 53.4121 43.7145 175.4885 36 H 4.8378 8.6208 122.4024 54.6559 30.3901 174.6977 37 I 5.0599 8.3449 123.4978 59.5944 40.6274 175.0609 38 D 4.8189 8.6949 126.1944 51.4847 41.5111 176.9669 39 N 4.3462 8.5457 115.5492 56.0925 38.4288 175.8423 40 H 4.6486 8.4093 113.5906 55.1570 29.0228 175.9596 41 G 3.9214 8.0895 107.7902 45.4064 0.0000 173.8629 42 N 4.5450 8.0215 118.0595 53.6376 39.6623 173.1580 43 E 5.3829 8.3764 120.8814 54.8257 33.7589 174.8019 44 L 4.9790 8.9743 120.6987 53.3311 46.6888 175.3244 45 K 4.8329 8.6010 118.7106 54.7759 36.5634 175.7124 46 S 4.6253 8.0505 116.4099 56.9553 65.6532 173.9635 47 F 5.0085 8.8354 122.1920 55.0954 41.8141 174.0948 48 H 4.9078 8.4692 121.0792 54.1857 31.6660 175.5836 49 V 3.7289 8.3239 119.8386 64.6263 31.6650 177.7092 50 Q 4.1795 8.3189 117.7156 58.8319 29.1906 177.3423 51 D 4.4952 8.3824 117.9175 57.3244 41.3034 179.4605 52 G 3.6974 8.1843 105.9603 46.1062 0.0000 175.4662 *54 G 3.8430 8.2762 109.7228 45.2627 0.0000 176.0960 55 L 3.9849 7.9065 119.4698 57.2865 41.6047 179.5460 56 K 4.1836 7.9457 117.5620 59.2721 32.3519 179.1694 57 L 4.2142 7.7715 118.9965 57.5372 41.5212 179.7265 58 L 3.9399 7.9184 115.5288 55.7113 41.3592 178.8225 *60 A 4.1766 7.9908 123.5655 52.0197 20.2737 178.1847 61 A 4.3136 7.8675 116.0346 52.1965 18.8784 178.0203 62 G 3.8971 8.3093 104.0826 45.5920 0.0000 173.1425 63 I 4.3199 7.5832 120.6597 59.6444 38.2425 175.8397 64 Q 4.3368 8.6378 128.3481 55.9225 30.5002 174.6107 65 V 5.0912 8.3380 122.2496 61.2036 34.5558 174.3407 66 A 5.2188 9.3074 127.6590 50.5562 23.3874 174.6911 67 I 5.1385 8.8171 119.5537 59.6316 40.9503 175.0945 68 I 5.2508 8.7381 125.8756 60.0522 40.6029 174.3794 69 T 4.9501 9.4292 121.5359 60.6822 70.9148 174.7155 70 T 4.4980 8.9831 122.1257 65.4530 69.9770 174.8820 71 A 4.3649 8.3075 123.4684 52.6695 19.0926 178.3755 72 Q 4.5082 8.7792 117.5869 55.3779 31.0572 175.8363 73 N 4.6871 7.9244 115.6543 51.8526 38.6677 175.8749 74 A 4.5327 8.4162 121.3202 53.9636 18.3532 179.7401 75 V 3.6672 7.5461 116.3015 66.4732 31.2360 178.2654 76 V 3.6269 7.3810 116.2894 66.2020 31.7081 177.3277 77 D 4.4446 8.0746 118.0304 57.7228 40.7129 178.3918 78 H 4.2407 8.1866 116.6015 58.6686 28.6854 178.6380 79 R 3.6057 7.8014 118.5043 56.5834 29.6829 177.7248 *81 E 4.2177 8.1726 119.6029 55.7880 31.4596 177.5840 82 Q 3.9667 7.9994 116.5640 58.9839 28.7061 177.7041 83 L 4.1649 7.7799 114.6655 54.5227 41.9517 177.1582 84 G 3.8342 7.5638 106.2316 46.4571 0.0000 173.7329 85 I 4.2058 7.7805 121.0786 60.1793 37.4750 175.8217 86 T 4.3262 8.4934 115.8599 63.0533 69.9844 174.5878 87 H 4.7590 8.0593 119.9279 54.9368 28.5089 173.7218 88 Y 5.6233 7.5699 119.4457 55.8156 41.4777 173.9816 89 Y 4.6633 9.3065 117.7855 56.4526 41.7148 174.7442 90 K 4.8586 8.8825 123.1055 54.9563 35.4897 176.0187 91 G 4.1041 8.7906 109.1530 46.5328 0.0000 173.8143 92 Q 4.3744 8.3953 120.3462 54.3957 28.9312 176.9426 93 V 3.6133 8.4765 123.3359 65.2104 32.0430 175.4362 94 D 4.6884 7.8652 117.8777 53.2498 42.0347 176.4420 95 K 4.3772 8.3850 124.5587 56.9177 32.7009 178.8280 96 R 3.8661 7.9631 119.4965 59.3046 29.9786 178.7711 97 S 4.0839 8.0081 112.2414 61.1712 62.3915 175.8745 98 A 3.6237 7.8134 123.1355 55.0429 18.1495 178.6642 99 Y 3.7207 7.7929 118.0809 60.9230 38.8240 178.3221 100 Q 3.7393 8.0768 120.4077 59.1237 29.0986 177.6422 101 H 4.0729 8.0718 119.5034 59.0732 29.9218 177.0063 102 L 4.0851 7.8748 122.3847 57.9785 41.7901 178.8153 103 K 4.0032 7.8224 119.8594 59.4523 31.8512 178.9220 104 K 3.9321 7.7592 117.5279 59.7755 32.0314 179.1528 105 T 4.0047 7.7923 114.8844 66.5091 68.4840 176.1960 106 L 4.3544 8.1279 119.2735 54.6963 41.9737 177.8117 107 G 3.8631 8.2143 106.2115 46.0971 0.0000 173.2434 108 L 4.6492 7.6599 117.9643 52.7832 43.4417 176.4391 109 N 4.7421 9.1547 119.0355 52.8791 39.5644 176.1793 110 D 5.0943 9.3084 120.0315 57.2214 40.9602 178.3869 111 D 4.7816 8.1735 114.5428 54.3774 39.7958 176.0814 112 E 4.6806 8.4419 119.4812 55.8381 31.0846 175.2754 113 F 5.2883 8.4044 119.6977 56.0924 41.2948 174.8856 114 A 5.3785 9.0141 124.1434 50.7736 22.2029 175.1069 115 Y 5.0665 9.0439 120.2757 56.1110 43.0024 173.5188 116 I 5.0786 8.2187 126.9397 59.3081 40.9107 174.4498 117 G 5.0053 9.3366 115.7331 44.9682 0.0000 172.2511 118 D 4.9262 9.5310 115.7310 52.3508 41.0556 174.4668 119 D 5.1432 7.9870 118.1514 51.3306 45.0517 175.4281 120 L 3.9963 9.0729 121.2815 57.4392 41.1869 177.9967 121 P 4.3941 0.0000 0.0000 64.6246 31.5411 177.6207 122 D 4.3753 8.3483 117.9944 56.0655 40.8135 178.3127 123 L 3.9032 7.6357 120.2609 57.6010 41.6493 177.8062 124 P 4.1144 0.0000 0.0000 65.2628 31.2359 178.7959 125 L 3.4257 7.3351 117.5056 57.5175 41.6204 179.1831 126 I 3.6736 7.5401 120.0336 64.6399 36.8141 178.5132 127 Q 4.0605 7.9156 117.7215 58.5108 28.5891 177.9349 128 Q 4.0750 7.3940 119.6898 57.8235 29.3628 176.5481 129 V 4.2564 7.0661 112.2794 60.4038 32.6537 176.3679 130 G 3.7598 8.5862 108.1757 48.9367 0.0000 173.6763 131 L 4.8382 8.0795 122.9539 52.9735 44.3543 174.4429 132 G 4.7282 9.6654 113.6011 43.9585 0.0000 170.4899 133 V 5.2214 9.7243 125.9378 61.0528 35.0734 173.8101 134 A 5.1593 8.7192 129.1866 50.0993 21.1923 177.0030 135 V 4.3286 8.4545 115.5475 60.6713 32.4322 177.9680 136 S 4.0671 8.3095 118.0096 60.8394 63.0103 174.8535 137 N 4.6595 7.9517 116.6562 52.3595 37.2855 174.8677 138 A 4.3060 7.5631 121.7989 52.2206 19.2290 178.5582 139 V 3.9024 8.4073 113.3829 60.4948 32.5019 176.0859 140 P 4.2490 0.0000 0.0000 66.2316 31.1474 179.0658 141 Q 4.1357 8.0946 116.1190 58.9480 28.5578 178.8648 142 V 3.6853 7.8011 118.8320 65.9905 31.4485 177.8840 143 L 3.9711 7.7495 117.7154 57.7351 41.5145 178.7461 144 E 3.8845 8.1486 118.3763 58.6997 29.6787 178.0349 145 F 4.6516 7.8510 113.9559 56.4532 40.1234 176.1608 146 A 4.3481 7.0934 121.9521 51.9573 18.8089 177.5181 147 D 4.6761 8.7397 120.2983 57.0655 41.4946 176.6644 148 W 5.2215 7.9156 126.1265 56.2852 34.0741 173.2780 149 R 4.8937 7.6155 120.5820 54.2207 32.0490 175.1371 150 T 3.3054 7.9517 111.4231 61.1809 70.0948 175.7433 151 E 3.8114 9.6554 122.9293 59.3799 29.8055 178.4744 152 R 4.1937 8.0590 117.4075 55.7705 31.2679 176.0173 153 T 4.5118 8.0278 109.7117 59.9795 70.7376 174.5054 154 G 4.2078 8.4573 111.4459 46.5965 0.0000 174.4591 155 G 4.0141 8.7216 110.0096 46.0877 0.0000 174.1912 156 R 4.4322 8.0631 115.1035 55.6744 31.4741 176.0893 157 G 4.0241 8.4894 105.6270 45.3929 0.0000 175.9521 158 A 3.9259 8.1861 123.0764 55.0940 18.3124 180.3548 159 V 3.6049 7.8066 116.3320 66.0218 31.5752 178.0186 160 R 3.8854 8.5139 118.7275 59.3071 29.9065 178.1017 161 E 4.0009 8.1455 119.2133 59.1494 29.6685 178.6146 162 L 4.1971 8.1033 120.2610 58.3932 42.2184 178.4594 163 C 4.0658 8.4152 117.0505 63.2388 28.0885 176.0853 164 D 4.3329 8.4681 120.5080 57.0886 40.3104 178.3647 165 L 3.8288 7.9847 120.8768 58.3064 42.0980 179.2705 166 I 3.6311 7.7292 119.3701 64.3841 37.0026 178.4520 167 L 3.9912 7.9987 119.8141 57.8837 41.5663 179.3896 168 N 4.2850 8.5969 116.6101 56.2837 38.2632 177.2506 169 A 4.0043 8.0066 121.2311 54.7043 18.5067 178.6991 170 Q 4.3007 7.7395 113.0832 54.7053 29.4348 175.2756 171 N 4.2021 7.7832 115.9529 54.8665 36.7201 175.4035 172 K 4.4984 8.2061 114.7434 55.9018 33.0421 177.2483 173 A 3.9710 7.8440 122.7941 55.2795 18.3706 179.6877 174 E 3.8914 8.1228 116.4301 59.5600 29.5943 179.0846 175 L 3.9487 8.0838 118.2852 57.9894 41.6949 179.3723 176 A 3.9871 8.2382 120.4036 55.4219 18.3990 179.6232 177 I 3.8672 7.8478 117.0440 64.2652 37.7852 178.2080 178 T 3.9801 8.0225 116.2238 66.5687 68.4928 176.3636 179 G 3.8382 8.4588 107.9098 48.0200 0.0000 174.6487 180 Y 4.1837 8.5076 122.7107 60.5779 38.6304 178.2437 181 L 4.1034 8.1045 116.7637 56.0042 41.7174 178.2373 182 K 4.5923 7.3102 118.1093 55.8018 33.1738 176.1446 183 Q 4.0118 7.5322 124.6395 56.3361 29.9560 174.7119 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 2 S 8.19 4.43 0.00 4.02 4.10 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 3 L 8.53 3.74 0.00 1.86 1.72 0.92 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 4 N 8.00 4.38 0.00 2.78 2.86 0.00 0.00 6.84 7.05 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 5 T 7.48 3.96 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 1.23 0.00 0.00 6 E 7.77 4.08 0.00 2.06 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 2.65 2.50 0.00 7 I 7.66 3.92 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 1.75 0.90 0.93 0.00 0.00 8 E 8.09 4.22 0.00 2.04 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 2.35 2.54 0.00 *10 N 8.17 4.66 0.00 3.08 2.89 0.00 0.00 7.02 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 11 E 8.54 3.98 0.00 2.10 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 12 L 8.02 3.85 0.00 1.66 1.59 0.51 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.77 3.89 0.00 1.82 1.65 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.29 3.93 0.00 2.03 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 2.55 2.48 0.00 15 K 7.99 4.07 0.00 1.94 1.86 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.67 7.81 16 A 8.05 4.01 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 17 K 8.09 3.95 0.00 1.87 1.87 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.62 7.81 18 K 7.77 4.33 0.00 1.88 1.82 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.45 7.81 19 I 7.04 4.12 1.94 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 1.45 0.75 0.97 0.00 0.00 20 K 9.13 4.54 0.00 1.44 1.67 0.00 1.78 0.00 0.00 1.50 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.45 7.81 21 C 7.60 5.10 0.00 2.78 2.36 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 22 L 8.97 5.04 0.00 1.86 1.55 0.97 0.72 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 23 I 8.93 5.06 1.98 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.98 1.01 0.00 0.00 24 C 9.00 4.90 0.00 2.77 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 25 D 8.07 4.76 0.00 2.78 2.57 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 26 V 8.55 3.97 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 1.17 0.00 0.00 1.02 0.00 0.00 27 D 7.82 4.58 0.00 2.72 2.59 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 28 G 9.58 3.99 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 0.00 0.00 0.00 29 V 7.49 4.07 2.25 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 1.11 0.00 0.00 0.98 0.00 0.00 30 L 8.32 4.31 0.00 1.96 2.03 1.00 0.70 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 31 S 7.82 4.88 0.00 3.74 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 32 D 7.75 4.95 0.00 2.75 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 33 G 7.61 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 0.00 0.00 0.00 34 L 7.72 4.23 0.00 1.61 1.41 0.93 0.74 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 35 L 8.14 4.54 0.00 1.44 1.55 0.90 1.03 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 36 H 8.62 4.84 0.00 3.09 3.18 0.00 5.55 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.34 5.06 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 1.41 0.76 0.92 0.00 0.00 38 D 8.69 4.82 0.00 2.82 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 39 N 8.55 4.35 0.00 2.54 2.77 0.00 0.00 6.78 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.41 4.65 0.00 3.13 3.32 0.00 5.91 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.09 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 0.00 0.00 0.00 42 N 8.02 4.55 0.00 2.85 2.93 0.00 0.00 6.89 7.65 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 43 E 8.38 5.38 0.00 1.86 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 2.21 2.50 0.00 44 L 8.97 4.98 0.00 1.65 1.53 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.60 4.83 0.00 1.12 1.18 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.23 1.42 7.81 46 S 8.05 4.63 0.00 3.66 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.84 5.01 0.00 3.04 2.96 0.00 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0.00 66 A 9.31 5.22 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 67 I 8.82 5.14 1.97 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 1.23 1.12 1.05 0.00 0.00 68 I 8.74 5.25 2.09 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 1.17 1.12 0.99 0.00 0.00 69 T 9.43 4.95 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 70 T 8.98 4.50 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 1.24 0.00 0.00 71 A 8.31 4.36 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 72 Q 8.78 4.51 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.01 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 73 N 7.92 4.69 0.00 2.99 2.98 0.00 0.00 6.14 7.46 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 74 A 8.42 4.53 1.36 0.00 0.00 0.00 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7.34 3.43 0.00 0.66 0.74 0.74 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.54 3.67 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.01 0.97 0.00 0.00 127 Q 7.92 4.06 0.00 1.92 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 128 Q 7.39 4.07 0.00 1.98 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 129 V 7.07 4.26 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 1.14 0.00 0.00 130 G 8.59 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.08 4.84 0.00 1.76 1.59 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 132 G 9.67 4.73 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 0.00 0.00 0.00 133 V 9.72 5.22 2.25 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 1.22 0.00 0.00 1.26 0.00 0.00 134 A 8.72 5.16 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.45 4.33 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 0.91 0.00 0.00 1.08 0.00 0.00 136 S 8.31 4.07 0.00 3.83 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 0.00 137 N 7.95 4.66 0.00 2.82 2.91 0.00 0.00 6.00 7.26 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 0.00 138 A 7.56 4.31 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 0.00 139 V 8.41 3.90 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.01 0.00 0.00 140 P 0.00 4.25 0.00 2.16 2.11 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 141 Q 8.09 4.14 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.67 2.51 0.00 142 V 7.80 3.69 2.25 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 1.12 0.00 0.00 1.01 0.00 0.00 143 L 7.75 3.97 0.00 1.80 1.67 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.15 3.88 0.00 1.89 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 1.47 1.97 0.00 145 F 7.85 4.65 0.00 3.09 3.03 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 0.00 146 A 7.09 4.35 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 0.00 147 D 8.74 4.68 0.00 2.85 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 0.00 148 W 7.92 5.22 0.00 3.32 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 0.00 149 R 7.62 4.89 0.00 1.64 1.67 0.00 2.96 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.27 0.00 150 T 7.95 3.31 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 1.02 0.00 0.00 151 E 9.66 3.81 0.00 1.90 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 2.44 2.43 0.00 152 R 8.06 4.19 0.00 1.93 1.79 0.00 3.23 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 153 T 8.03 4.51 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 1.17 0.00 0.00 154 G 8.46 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 0.00 0.00 0.00 0.00 155 G 8.72 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 156 R 8.06 4.43 0.00 1.90 1.85 0.00 3.32 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 157 G 8.49 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 0.00 0.00 0.00 158 A 8.19 3.93 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 0.00 159 V 7.81 3.60 2.25 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 1.14 0.00 0.00 0.95 0.00 0.00 160 R 8.51 3.89 0.00 2.03 2.12 0.00 3.20 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 161 E 8.15 4.00 0.00 2.31 2.25 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 2.69 2.46 0.00 162 L 8.10 4.20 0.00 2.13 1.95 1.07 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 163 C 8.42 4.07 0.00 3.16 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 0.00 164 D 8.47 4.33 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 L 7.98 3.83 0.00 1.52 1.67 0.51 -0.12 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 0.00 166 I 7.73 3.63 1.99 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 1.49 1.03 0.90 0.00 0.00 167 L 8.00 3.99 0.00 1.68 1.70 0.91 0.62 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 0.00 168 N 8.60 4.29 0.00 2.77 2.83 0.00 0.00 6.92 7.74 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 0.00 169 A 8.01 4.00 1.28 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 0.00 0.00 0.00 170 Q 7.74 4.30 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 171 N 7.78 4.20 0.00 2.88 2.88 0.00 0.00 6.75 6.99 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 0.00 172 K 8.21 4.50 0.00 1.74 1.78 0.00 1.81 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.60 7.81 173 A 7.84 3.97 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 0.00 174 E 8.12 3.89 0.00 1.99 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 2.40 2.35 0.00 175 L 8.08 3.95 0.00 1.88 1.76 0.92 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 0.00 176 A 8.24 3.99 1.46 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 0.00 0.00 177 I 7.85 3.87 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.27 1.01 0.00 0.00 178 T 8.02 3.98 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 1.23 0.00 0.00 179 G 8.46 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 0.00 180 Y 8.51 4.18 0.00 3.05 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 0.00 181 L 8.10 4.10 0.00 1.89 1.72 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 182 K 7.31 4.59 0.00 1.78 1.77 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.72 7.81 183 Q 7.53 4.01 0.00 1.79 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.55 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.