NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 Q 4.1969 8.3449 119.6911 55.5532 29.3972 170.8417 13 M 3.2351 8.2065 122.4281 54.3692 31.9478 175.3518 14 L 4.5402 9.2126 125.4351 55.1888 43.5984 176.2168 15 T 4.7681 8.9746 119.5912 61.6769 71.9899 174.0198 16 R 4.6670 8.3467 122.7158 55.3282 31.3294 177.3540 17 K 3.4169 9.7237 125.0471 59.8374 32.2079 179.2408 18 E 3.8659 8.0951 116.8758 59.3105 29.3874 178.6907 19 D 4.2465 7.7927 119.6496 56.8800 40.9682 178.0490 20 L 3.6742 7.7967 120.8315 58.1340 41.9874 178.9448 21 L 3.8065 7.8640 119.3236 57.9872 41.4078 179.7505 22 T 3.7770 7.7592 109.6551 64.7734 68.4641 176.7507 23 V 3.5257 7.5353 120.1587 65.6388 31.5294 177.7321 24 L 4.0448 8.1269 119.3857 57.4995 41.2446 179.5396 25 K 4.0004 8.0396 117.7516 59.6014 32.6251 178.8777 26 Q 4.3648 7.6080 118.7450 57.2264 29.1494 176.0468 27 I 4.0925 7.3532 121.3400 60.0138 36.1188 176.6477 28 S 4.1592 8.5543 121.0927 60.7636 63.2435 175.9792 29 A 4.1271 8.1013 123.6678 54.1167 18.3965 176.4260 30 L 4.6809 7.2942 116.6132 53.3149 40.3781 176.2989 31 K 4.2166 8.5118 122.4640 57.9914 33.1445 176.1533 32 Y 4.6983 8.0998 122.2675 55.5717 41.1861 174.7432 33 V 4.7411 7.6110 125.5950 61.4773 34.7462 173.7774 34 S 4.5807 8.7924 121.1313 57.3570 66.1231 173.0688 35 N 5.0673 8.5568 120.0579 51.5454 38.7949 175.9684 36 L 4.0270 8.8047 121.3116 58.3062 42.1309 178.3904 37 Y 4.0465 8.1324 119.7058 61.0905 38.6183 178.3546 38 E 3.9040 9.2037 119.5676 59.1042 29.4329 179.2385 39 F 4.2261 7.9853 119.8962 61.3779 39.4598 177.2953 40 L 3.6751 8.0073 119.9864 56.6936 41.1647 179.4575 41 L 3.6436 7.3878 119.9270 58.0578 41.8805 178.7174 42 A 3.9107 7.7642 119.7127 55.1551 18.3631 178.9083 43 T 3.9301 7.7178 106.1934 61.4102 68.9471 175.1323 44 E 3.7490 7.8658 120.3043 57.5854 27.5259 175.9932 45 K 4.0299 8.1075 121.3083 58.4370 32.2823 176.9766 46 I 4.6983 7.1235 109.6633 59.1245 40.9170 173.8938 47 V 4.4734 8.3580 112.8622 59.0497 35.4820 176.6548 48 Q 3.9805 8.9082 122.5138 59.7957 28.5755 178.1134 49 T 4.3329 7.7517 103.7942 61.6337 69.4171 174.8737 50 S 4.1177 8.0349 119.9104 58.7595 63.2698 174.0054 51 E 4.1559 8.7116 122.5879 56.2289 29.2291 176.1933 52 L 4.8750 8.2117 123.4371 51.7789 45.2720 176.9282 53 D 4.5608 8.7820 122.4321 54.5112 43.2561 177.2686 54 T 3.8830 8.4882 115.5025 64.8296 68.7975 176.5676 55 Q 3.9595 8.2670 121.8677 59.1164 29.2322 177.7677 56 F 4.5250 8.2977 121.2286 61.4802 39.6121 176.6633 57 Q 3.8228 8.5988 119.6437 59.0497 28.9621 177.7689 58 E 3.9563 8.3032 120.4072 58.7688 29.6150 178.5928 59 F 4.1772 8.2146 121.1120 61.1219 39.4105 177.1763 60 L 3.5955 7.8763 119.0522 57.8758 41.1926 179.6032 61 T 3.9399 7.5048 108.4219 64.3706 68.9252 176.3167 62 T 4.2915 7.5161 111.0304 62.7121 69.7093 175.2647 63 T 4.3630 7.3746 119.9924 63.5224 69.6742 173.5722 64 I 5.0852 9.0009 127.4632 59.5228 39.9617 174.7936 65 I 5.3786 9.0372 119.2625 59.3687 41.3365 174.1128 66 A 5.5437 8.9754 124.2594 50.8917 23.0312 175.3094 67 S 4.5506 9.2104 114.4896 56.6140 66.6301 174.9743 68 E 4.4226 8.7372 119.9089 58.3024 30.2791 176.7605 69 Q 4.7474 7.7437 117.3703 53.5782 32.2891 173.8107 70 N 4.3073 8.6023 119.3566 53.1565 38.9618 174.1549 71 L 4.7299 8.1027 124.8637 54.6027 42.6365 178.4390 72 V 3.6491 8.2185 121.4707 66.3137 31.2563 178.2986 73 E 4.0674 8.3481 118.4258 59.4743 29.5341 179.1451 74 N 4.3563 8.1694 115.5085 55.8774 38.6537 175.4148 75 Y 4.5221 7.9672 113.2746 57.2272 38.3863 175.9175 76 K 3.8866 7.5078 119.9866 58.1174 32.6028 174.7580 77 Q 2.8728 8.3124 125.0043 56.5421 29.6385 172.8870 *87 M 4.2176 8.3257 121.5489 55.5633 33.3230 176.0578 88 T 4.3060 8.2550 119.9712 62.5506 71.2921 175.6598 89 I 3.6343 8.1609 123.1537 64.2069 37.9603 178.4637 90 K 4.0832 7.7792 118.7743 59.6348 31.9251 179.0940 91 Q 4.0190 8.0031 117.6938 59.0205 28.6579 178.8811 92 V 3.6624 8.0534 119.3250 66.1120 31.5066 178.1924 93 I 3.8190 8.0976 119.5847 64.3556 36.9475 178.0961 94 D 4.3934 8.3428 119.7703 57.6261 40.7308 178.5811 95 D 4.3282 8.2856 119.3618 57.3453 40.5619 178.7798 96 S 3.9128 7.9228 112.7427 61.5473 62.7908 176.0763 97 I 3.7201 7.8943 122.4768 64.3284 36.7634 178.5301 98 I 3.6157 7.7433 120.7944 64.2251 36.6643 178.4221 99 L 3.9719 7.6737 118.7364 57.3435 41.4026 179.1894 100 L 3.8492 7.3796 118.1319 56.0434 41.4161 176.1952 101 G 3.8589 7.7617 108.8779 46.2099 0.0000 173.6417 *103 K 4.1333 7.4605 119.3551 55.6220 33.4470 174.9320 104 Q 4.7990 7.9958 118.3892 55.7395 33.1115 174.4580 105 N 4.4321 8.8906 112.0173 54.5191 35.4821 173.5346 106 Y 4.7325 8.0677 115.6126 56.1855 39.9394 176.9866 107 V 3.5638 8.6483 124.7324 66.1435 31.6354 178.2562 108 Q 4.0666 7.9968 115.4101 58.3596 28.7027 176.9890 109 Q 4.1661 8.1636 117.8960 57.3392 29.3099 175.9989 110 I 3.7338 7.3257 118.5405 62.9227 37.3742 175.8607 111 G 3.9645 8.8412 113.7397 47.0792 0.0000 173.1517 112 T 5.0960 7.7623 113.8013 61.7006 72.7858 174.1385 113 T 4.6793 8.7316 120.3504 62.1477 72.1918 172.8807 114 T 5.1099 8.6737 122.7285 61.8431 71.1060 174.1621 115 I 4.4247 8.6136 126.7744 60.0028 40.3087 175.7865 116 G 3.7498 8.2906 117.6404 47.2869 0.0000 173.1294 117 F 4.3031 9.3168 123.7760 57.2899 38.9099 174.4156 118 Y 4.7004 8.2270 119.4044 56.0446 40.1644 174.7345 119 V 4.9111 8.3344 122.0360 61.2746 34.5207 174.0255 120 E 4.6016 8.7894 127.8110 55.8653 33.7153 175.7543 121 Y 4.5306 8.0059 128.9035 57.6009 43.9712 176.5620 *128 R 3.7476 8.8973 115.2914 55.3943 31.9733 176.1189 129 Q 3.9143 8.5394 121.9924 59.4540 29.1259 178.8792 130 T 4.1052 7.6278 116.1777 66.4727 68.4398 176.5848 131 L 3.5160 7.4786 118.7190 56.6388 41.7665 177.8040 132 Y 4.8145 7.3499 114.3683 57.5291 38.7553 175.7958 133 S 4.4768 7.5052 115.7612 57.7554 64.0411 175.4958 134 S 4.1241 8.6152 116.0894 61.4954 62.5570 176.2087 135 N 4.1370 8.0077 119.5680 56.3816 38.2170 177.2354 136 F 4.2195 7.9188 117.8283 60.2656 38.9661 178.1713 137 R 3.9134 8.0882 118.1959 59.2066 29.8473 178.7233 138 N 4.1448 8.4724 116.8223 55.9995 38.3247 177.2172 139 L 4.2915 8.1004 121.8921 58.0903 42.1397 178.7605 140 L 3.4167 8.1090 120.7360 58.1706 41.7172 178.8319 141 N 4.3346 7.8842 115.1771 56.1730 38.4637 177.1978 142 I 3.9654 7.6191 120.7539 64.1510 37.3361 178.0723 143 F 4.2887 8.4372 118.2027 58.1179 39.4950 177.2045 144 G 4.1147 8.4898 104.2146 45.5786 0.0000 173.3772 145 E 3.9751 9.0258 121.3757 59.4811 29.4436 179.0372 146 E 4.0568 8.2881 118.1516 59.7342 29.7911 178.4937 147 D 4.6440 8.3665 118.3354 57.2645 41.0139 178.4111 148 F 3.8176 8.6315 121.2772 61.1846 39.6566 177.1381 149 K 3.8727 8.2283 118.0712 60.0209 31.9075 178.9311 150 Y 3.9448 7.9909 116.1756 60.4791 37.8704 177.8041 151 F 4.4216 8.7153 122.4305 61.5495 39.2252 177.1288 152 L 3.7827 7.4341 115.7743 56.5402 41.3235 178.7086 153 I 4.2128 6.6392 116.9668 63.5967 38.0363 177.4795 154 D 4.4489 8.6803 117.8044 55.2400 41.3575 176.3164 155 F 4.9912 7.3724 117.3868 55.3256 43.2281 174.0923 156 L 4.6564 8.9077 122.5005 53.6390 43.3328 175.7091 157 V 4.6278 8.1323 124.2390 60.9828 34.1652 174.0357 158 F 5.4970 9.4631 127.1309 56.1476 41.6923 174.5940 159 T 4.9892 9.1336 120.5836 61.4097 71.8665 173.8049 160 K 3.6282 8.3344 126.2527 55.7210 32.2484 176.6223 161 V 3.9017 8.7088 127.5629 64.8965 32.1015 175.0332 162 E 4.5760 7.5687 117.1551 54.3679 33.5097 173.1587 163 Q 4.0272 8.7568 117.5060 57.7951 28.4194 176.6468 164 N 4.1508 9.0023 123.6845 54.4598 37.6035 174.4850 165 G 4.2127 8.3088 104.2946 44.9744 0.0000 171.9501 166 Y 5.2627 9.5194 125.1305 55.9200 40.8770 175.0001 167 L 5.1677 8.8150 123.2487 53.4131 46.0257 174.9839 168 Q 4.5254 8.9654 126.9975 55.9937 29.4155 175.5669 169 V 4.4000 8.7496 118.0720 61.2351 33.7216 175.0868 170 A 4.4534 7.7356 120.7570 51.7525 22.7446 176.4463 171 G 4.5659 9.0321 105.2534 45.5991 0.0000 173.2372 172 V 3.1576 7.6446 118.2077 62.3767 31.9568 175.3622 173 C 3.8794 8.8643 124.8771 60.2465 28.7859 174.4806 174 L 4.1257 9.0001 126.2478 58.3664 41.8165 178.3253 175 N 4.3091 8.3932 115.2946 56.8169 38.8623 175.6003 176 Q 3.9773 7.9708 116.3110 58.6685 28.7906 176.3363 177 Y 4.0745 7.8850 116.4955 56.4175 36.3605 173.8973 *185 K 4.0847 7.9315 123.0916 55.7101 32.2845 174.6161 186 K 4.2797 7.8346 122.4465 53.8447 35.4108 175.6606 187 W 4.9694 7.1867 116.0972 55.8922 30.4582 174.2433 188 Y 4.2425 8.9532 117.9683 60.5276 37.8436 176.3553 189 K 4.8290 8.0900 118.3848 55.5044 35.4010 175.6932 190 N 4.5913 8.2214 123.1228 52.4322 39.3938 173.7210 191 N 4.4818 7.9398 118.9305 52.9186 38.8278 175.2936 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 12 Q 8.34 4.20 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 5.53 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 13 M 8.21 3.24 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 14 L 9.21 4.54 0.00 1.54 1.65 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.97 4.77 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 1.18 0.00 0.00 16 R 8.35 4.67 0.00 2.05 2.12 0.00 3.54 0.00 0.00 3.45 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.48 0.00 17 K 9.72 3.42 0.00 1.85 1.85 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.06 7.81 18 E 8.10 3.87 0.00 2.15 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 2.32 2.32 0.00 19 D 7.79 4.25 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 20 L 7.80 3.67 0.00 1.43 1.47 -0.24 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.86 3.81 0.00 1.57 1.58 0.80 0.65 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 22 T 7.76 3.78 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 1.26 0.00 0.00 23 V 7.54 3.53 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 0.80 0.00 0.00 0.96 0.00 0.00 24 L 8.13 4.04 0.00 1.70 1.57 0.65 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.04 4.00 0.00 1.85 1.88 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.44 7.81 26 Q 7.61 4.36 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.11 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 27 I 7.35 4.09 1.79 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 1.37 0.86 0.94 0.00 0.00 28 S 8.55 4.16 0.00 3.98 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 29 A 8.10 4.13 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.29 4.68 0.00 1.64 1.50 0.50 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.51 4.22 0.00 1.79 1.92 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.17 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.47 7.81 32 Y 8.10 4.70 0.00 3.13 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.61 4.74 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 0.73 0.00 0.00 0.85 0.00 0.00 34 S 8.79 4.58 0.00 3.54 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 35 N 8.56 5.07 0.00 3.21 2.93 0.00 0.00 5.55 6.67 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 36 L 8.80 4.03 0.00 1.69 1.78 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.13 4.05 0.00 2.89 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 38 E 9.20 3.90 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 39 F 7.99 4.23 0.00 3.25 3.22 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 40 L 8.01 3.68 0.00 1.64 1.46 0.84 -0.33 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 41 L 7.39 3.64 0.00 1.60 1.54 0.63 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.76 3.91 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 43 T 7.72 3.93 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 44 E 7.87 3.75 0.00 2.05 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 2.16 2.18 0.00 45 K 8.11 4.03 0.00 1.54 1.63 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.33 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.19 0.98 7.81 46 I 7.12 4.70 1.84 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.44 0.89 0.00 0.00 47 V 8.36 4.47 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 0.70 0.00 0.00 0.95 0.00 0.00 48 Q 8.91 3.98 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.06 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 49 T 7.75 4.33 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 1.22 0.00 0.00 50 S 8.03 4.12 0.00 3.97 3.90 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 51 E 8.71 4.16 0.00 2.09 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 2.29 2.35 0.00 52 L 8.21 4.88 0.00 1.71 1.78 1.11 1.35 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 53 D 8.78 4.56 0.00 2.78 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 54 T 8.49 3.88 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 1.22 0.00 0.00 55 Q 8.27 3.96 0.00 2.19 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.94 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 56 F 8.30 4.53 0.00 3.13 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.60 3.82 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 58 E 8.30 3.96 0.00 2.26 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 0.00 2.31 2.30 0.00 59 F 8.21 4.18 0.00 3.17 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 60 L 7.88 3.60 0.00 1.75 1.78 0.80 0.33 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 61 T 7.50 3.94 4.14 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 0.00 0.00 0.87 0.00 0.00 62 T 7.52 4.29 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 1.25 0.00 0.00 63 T 7.37 4.36 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 1.27 0.00 0.00 64 I 9.00 5.09 1.93 0.00 0.00 0.50 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 0.89 0.88 0.00 0.00 65 I 9.04 5.38 1.82 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.08 0.97 0.00 0.00 66 A 8.98 5.54 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 67 S 9.21 4.55 0.00 3.26 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 68 E 8.74 4.42 0.00 1.94 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 2.43 2.16 0.00 69 Q 7.74 4.75 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.01 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 70 N 8.60 4.31 0.00 2.82 2.76 0.00 0.00 6.87 7.78 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 71 L 8.10 4.73 0.00 2.00 2.01 0.72 0.86 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 72 V 8.22 3.65 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 0.89 0.00 0.00 1.06 0.00 0.00 73 E 8.35 4.07 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.30 0.00 74 N 8.17 4.36 0.00 3.22 2.85 0.00 0.00 6.96 7.42 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 75 Y 7.97 4.52 0.00 3.10 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 76 K 7.51 3.89 0.00 1.85 1.76 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.67 1.67 7.81 77 Q 8.31 2.87 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.40 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 *87 M 8.33 4.22 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.52 0.00 88 T 8.25 4.31 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 1.13 0.00 0.00 89 I 8.16 3.63 1.83 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.42 0.73 0.00 0.00 90 K 7.78 4.08 0.00 1.77 1.87 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.50 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.46 1.04 7.81 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0.00 0.00 0.00 0.00 117 F 9.32 4.30 0.00 2.81 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 8.23 4.70 0.00 3.23 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 0.00 119 V 8.33 4.91 2.19 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 0.94 0.00 0.00 0.96 0.00 0.00 120 E 8.79 4.60 0.00 2.05 1.71 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 2.05 2.08 0.00 121 Y 8.01 4.53 0.00 2.98 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 *128 R 8.90 3.75 0.00 1.53 1.63 0.00 3.08 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.40 0.00 129 Q 8.54 3.91 0.00 1.95 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.08 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 130 T 7.63 4.11 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 1.42 0.00 0.00 131 L 7.48 3.52 0.00 1.38 1.67 0.79 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 7.35 4.81 0.00 3.08 2.92 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 0.00 133 S 7.51 4.48 0.00 4.09 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 0.00 134 S 8.62 4.12 0.00 3.99 4.14 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 0.00 0.00 0.00 135 N 8.01 4.14 0.00 2.20 1.42 0.00 0.00 7.18 8.13 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 0.00 136 F 7.92 4.22 0.00 3.39 3.39 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 0.00 137 R 8.09 3.91 0.00 1.97 1.90 0.00 3.20 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 138 N 8.47 4.14 0.00 2.22 1.73 0.00 0.00 6.65 6.55 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 0.00 139 L 8.10 4.29 0.00 2.22 2.20 1.21 0.64 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0.00 0.00 0.00 0.00 156 L 8.91 4.66 0.00 1.61 1.27 0.83 0.86 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 0.00 157 V 8.13 4.63 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 1.04 0.00 0.00 0.57 0.00 0.00 158 F 9.46 5.50 0.00 3.05 3.14 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 0.00 0.00 0.00 159 T 9.13 4.99 4.46 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 1.50 0.00 0.00 160 K 8.33 3.63 0.00 0.97 1.50 0.00 1.69 0.00 0.00 1.36 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.20 7.81 161 V 8.71 3.90 2.07 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 0.84 0.00 0.00 0.95 0.00 0.00 162 E 7.57 4.58 0.00 2.01 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 2.30 2.29 0.00 163 Q 8.76 4.03 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 164 N 9.00 4.15 0.00 2.98 2.86 0.00 0.00 6.78 8.32 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 0.00 165 G 8.31 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 0.00 166 Y 9.52 5.26 0.00 3.07 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 0.00 167 L 8.82 5.17 0.00 1.79 1.51 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 168 Q 8.97 4.53 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.57 0.00 0.00 0.00 0.00 0.00 2.04 1.69 0.00 169 V 8.75 4.40 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 0.79 0.00 0.00 1.05 0.00 0.00 170 A 7.74 4.45 1.03 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 0.00 0.00 171 G 9.03 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 V 7.64 3.16 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 0.52 0.00 0.00 0.23 0.00 0.00 173 C 8.86 3.88 0.00 2.91 2.87 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 0.00 174 L 9.00 4.13 0.00 2.02 1.84 1.01 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.39 4.31 0.00 2.72 2.87 0.00 0.00 6.98 7.08 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 0.00 176 Q 7.97 3.98 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 177 Y 7.89 4.07 0.00 3.05 2.92 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 *185 K 7.93 4.08 0.00 1.75 1.76 0.00 1.92 0.00 0.00 1.90 0.00 0.00 3.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.54 1.74 7.81 186 K 7.83 4.28 0.00 1.59 1.38 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.09 1.23 7.81 187 W 7.19 4.97 0.00 3.34 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 0.00 188 Y 8.95 4.24 0.00 3.09 3.14 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 0.00 0.00 0.00 189 K 8.09 4.83 0.00 1.80 1.69 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.51 7.81 190 N 8.22 4.59 0.00 1.44 1.42 0.00 0.00 7.06 7.79 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 0.00 191 N 7.94 4.48 0.00 2.71 2.67 0.00 0.00 7.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.