NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.6514 8.4449 116.3399 55.2318 29.8607 171.9857 *2 L 4.1015 8.1218 117.7026 54.6128 42.6857 177.5148 3 S 4.3235 8.2077 116.0779 58.3532 64.9335 175.6171 4 K 3.9172 8.4318 121.9183 59.5536 31.6810 179.6588 5 R 3.6154 7.3849 118.5948 59.3745 30.1126 178.1560 6 D 4.3495 7.9655 117.9826 56.9496 40.7476 178.6446 7 A 3.9692 8.1551 121.7084 55.0525 18.2882 179.7561 8 I 3.6347 7.8007 118.2942 64.6504 37.2216 178.5995 9 L 3.8015 8.2462 120.1281 57.5659 41.3929 179.7480 10 K 3.7852 7.9945 119.2251 59.3329 32.1646 178.6269 11 A 3.8677 7.8831 120.8513 55.1049 18.2733 179.2467 12 A 3.4257 8.0038 119.3263 55.2798 18.4697 179.6515 13 V 2.5197 7.4748 116.5251 66.1740 31.3991 178.1783 14 E 3.9253 7.9316 117.7330 59.4762 29.2624 179.5543 15 V 3.6534 8.0328 118.6350 65.6495 31.5861 178.0689 16 F 4.7504 8.6641 118.0959 60.8964 38.6806 177.8092 17 G 4.0352 8.2896 103.7644 47.9192 0.0000 175.5353 18 K 4.2344 8.2086 119.8509 58.6685 32.2862 178.7195 19 K 4.5308 8.6686 116.3627 54.8229 33.9243 177.3069 20 G 4.1335 8.5358 105.7234 44.8946 0.0000 173.9144 21 Y 4.1944 8.4973 118.5688 60.7558 39.0176 177.6299 22 D 4.3308 8.1874 118.1295 57.3253 41.1879 177.8919 23 R 4.0541 7.9677 116.3319 58.4000 30.5421 177.2305 24 A 4.1169 7.6921 120.7075 52.3373 19.1954 177.1718 25 T 4.6699 7.8697 112.3945 60.0544 72.4978 176.1143 26 T 3.9488 8.3157 113.3028 64.6702 68.9387 176.7466 27 D 4.3177 8.0197 121.7005 57.3966 40.9497 178.1030 28 E 3.9086 8.0906 119.5901 59.2207 29.5518 178.9196 29 I 3.6094 7.6199 119.3240 64.1544 37.1032 178.2521 30 A 4.0737 8.3552 124.2856 55.8690 18.0420 180.2443 31 E 3.9621 8.5272 117.2348 61.0517 29.5643 181.1432 32 K 4.1225 7.9572 119.3499 59.0843 32.3609 178.2244 33 A 4.2463 8.1710 119.3012 51.7176 19.2921 176.8427 34 G 3.7976 7.7378 104.8595 46.7793 0.0000 174.2470 35 V 4.4964 7.8620 109.8708 58.5321 35.9845 176.2494 36 A 4.0886 8.6846 127.5352 53.1487 19.0177 179.4168 37 K 4.0645 9.1077 126.2673 60.2229 31.8652 179.5756 38 G 4.2578 8.2150 106.7391 48.0311 0.0000 175.5113 39 L 4.1442 8.0794 120.8047 57.2330 41.4527 179.8283 40 I 4.0695 7.7979 120.1874 64.2849 37.0795 177.7552 41 F 4.1810 8.4497 121.1207 61.7307 38.8846 176.2200 42 H 3.8237 7.9456 115.7808 59.7259 29.6661 176.3846 43 Y 4.0918 7.4383 116.3768 59.8660 37.9411 176.9790 44 F 4.8107 8.6102 115.2992 56.3212 40.4134 175.3078 45 K 3.7932 8.8675 124.3011 56.0528 32.4654 175.5754 46 N 5.1528 7.3974 112.2937 50.4220 40.6413 174.8109 47 K 4.2207 8.7984 117.7918 59.4813 32.0692 178.2131 48 E 4.2932 8.3632 120.7586 58.8232 29.5951 178.2787 49 E 4.1206 8.9824 119.6144 59.0987 29.7162 178.3438 50 L 3.5433 8.0912 120.1073 58.3266 41.8261 178.1744 51 Y 4.0271 8.3992 119.3293 61.0088 38.4244 177.6428 52 Y 4.1227 8.2985 119.0658 60.8139 39.0210 177.4144 53 Q 4.0772 8.5259 119.3893 59.1428 29.5109 177.6348 54 A 4.1173 8.1926 121.9243 55.0432 18.2960 179.1567 55 Y 3.7274 7.7940 115.6594 58.3275 38.3933 177.5396 *57 S 4.3253 8.0234 114.5937 57.8032 64.5519 175.9582 58 V 3.6969 7.7271 119.4221 66.1564 31.2039 177.9295 59 T 3.8824 7.8837 112.8921 64.7556 66.6806 175.9699 60 E 4.2510 8.1337 120.8732 58.6245 29.7011 178.7669 61 K 4.0381 7.7294 117.6365 59.3006 32.0783 179.1734 62 L 3.7792 7.7390 118.8868 57.9907 41.5364 179.1222 63 Q 4.0985 8.5526 119.7591 59.4842 28.7692 179.1460 64 K 4.0083 7.8925 118.5359 59.2674 32.2083 178.8076 65 E 4.0400 8.1398 118.9972 59.6830 29.4878 179.4082 66 F 3.4944 8.6469 120.4858 61.2901 39.2459 176.9216 67 E 3.6135 8.1269 116.8874 59.2305 29.2624 178.7497 68 N 4.3803 7.7763 115.6071 56.3550 38.9650 176.8904 69 F 4.1299 7.9025 121.7587 60.9378 39.4123 177.2310 70 L 3.6771 7.3507 118.5960 55.6329 42.0610 178.4058 *72 K 4.0415 7.9537 119.0509 55.7643 33.7887 176.0797 73 N 4.6299 7.7367 113.5976 53.0327 38.8514 177.0006 74 R 3.8466 7.7880 120.3116 59.5754 30.2189 176.6345 75 N 4.7032 8.0063 111.5165 53.4881 38.9542 175.2714 76 R 4.3369 7.8577 118.1443 55.1923 31.1936 176.3103 77 D 4.5221 8.4824 118.4627 54.3270 42.7959 176.8745 78 I 3.7167 8.3129 125.8662 64.2222 38.1200 177.9601 79 F 4.3355 7.9289 117.4983 60.4461 39.0367 176.7816 80 D 4.6599 8.5567 117.2729 57.3224 41.0567 177.8170 81 F 4.0632 8.9665 117.9795 59.9098 39.3409 175.7815 *83 E 4.3229 8.0118 118.9548 56.4759 31.1225 178.0422 84 R 4.1039 8.1192 117.6522 58.7495 30.0781 178.8370 85 W 3.6968 8.5425 128.7866 60.2399 30.5782 178.2039 86 I 3.5633 7.7870 119.4288 64.0313 36.5318 177.5625 87 E 3.8058 8.0367 120.2363 59.4654 29.3616 179.1143 88 K 3.7741 7.4093 118.0760 59.4074 31.9330 179.5332 89 K 3.6235 7.3301 118.5989 58.9713 31.8322 179.3407 90 L 3.6636 7.9803 121.8763 58.4153 41.7099 179.9010 91 E 3.8994 8.1356 118.1421 61.3097 29.5213 180.4662 92 Y 4.1672 8.1143 120.7435 60.7722 38.6392 178.3888 93 S 4.2412 8.2687 114.6399 61.7434 62.9991 176.3721 94 A 4.0884 7.8874 122.8724 54.6345 18.2149 179.1568 95 S 4.3033 7.7800 110.6283 59.3647 65.0868 174.0706 96 H 4.8561 8.1629 119.7607 53.4492 29.1013 172.7530 97 P 4.4032 0.0000 0.0000 66.1280 31.4813 178.2280 98 E 3.9936 8.1257 117.7119 59.2716 29.5029 178.7639 99 E 4.0954 8.3366 117.8959 59.4580 29.3401 179.2049 100 A 4.0514 8.0438 120.2226 55.4922 18.3216 179.4566 101 D 4.3825 8.4012 116.3952 57.4174 41.1060 178.6544 102 F 4.5583 8.3936 121.3053 61.3231 39.3226 177.2738 103 L 3.6643 8.0818 118.6625 57.6395 40.9870 178.9399 104 I 3.9367 7.5852 117.5622 62.8546 38.0515 177.2575 105 T 3.8566 7.9558 110.0821 63.7129 68.9267 175.8011 106 L 3.8657 7.9412 125.8941 57.6864 41.6577 179.2488 107 V 3.7517 7.2675 120.1841 65.2832 31.4100 178.3807 *108 S 4.2778 7.9471 114.8517 60.0765 62.4569 178.5856 109 V 3.8369 6.7444 110.5991 60.6439 32.2307 175.7935 110 D 4.3639 8.3605 123.8054 54.0893 39.8509 177.9770 111 E 3.9876 8.9798 117.8718 59.1492 29.6900 177.9722 112 G 3.8277 7.8892 104.8121 46.5517 0.0000 174.3677 113 L 4.2184 8.2326 122.0158 57.0178 42.6282 178.2262 114 R 3.7310 7.5957 118.2263 58.9614 29.9520 178.2571 115 K 3.8494 8.0876 119.5874 59.3687 32.2334 178.4683 116 R 3.8543 7.9717 118.4655 59.7858 29.9216 178.1352 117 I 3.8529 7.7320 119.2550 64.5742 37.0593 178.5079 118 L 4.0169 7.9290 119.6899 57.4606 41.2147 179.2012 119 L 3.9597 7.8708 118.3310 58.3224 41.7783 179.3243 120 D 4.5717 8.0129 116.4123 56.5327 41.0431 178.0139 121 L 4.3732 8.0637 118.7477 55.8223 41.9864 178.1364 122 E 3.8693 7.9031 119.7352 59.3620 29.2073 178.7817 123 K 3.9925 7.9470 118.2967 59.3188 32.5306 178.4354 124 S 4.3828 7.9647 114.0580 61.4136 63.3007 176.2727 125 Q 4.0566 8.4216 121.9129 58.7093 28.4299 179.0161 126 R 4.0829 8.2648 118.9471 58.6376 29.7126 179.1537 127 V 3.6643 7.6621 118.5611 66.0207 31.5886 177.7757 128 F 4.5399 8.1425 119.7241 61.3115 39.4134 176.3274 129 F 3.7647 7.9783 120.2554 61.6742 38.6651 176.9700 130 D 4.4147 8.9456 118.0350 56.6454 40.4990 178.5707 131 F 4.1653 7.7601 121.6329 60.9262 39.5855 177.4742 132 V 3.0418 7.4576 117.8237 65.7581 31.0165 177.7151 133 R 3.5613 6.9712 116.6357 59.4538 30.0453 177.7267 134 E 3.9222 7.5207 118.0481 59.2246 29.5394 178.9691 135 K 3.8086 7.5111 118.2618 58.9551 31.7448 179.0634 136 L 4.0314 7.3291 117.9015 56.7808 41.5616 178.3494 137 K 4.0890 7.5329 117.4246 58.7323 32.2656 177.3942 138 D 4.6794 7.5738 117.3179 53.9677 40.5704 175.3757 139 L 4.6146 7.4742 121.2262 53.1648 43.9647 176.2913 140 D 4.5175 8.4540 125.5611 53.5362 39.6764 175.3430 141 L 4.8300 7.9485 125.0369 52.8558 43.8321 175.5592 142 A 4.7192 8.1509 124.0303 50.9363 20.9118 177.9476 143 E 4.1760 8.9654 116.7605 57.2376 29.6864 175.0990 144 D 4.7449 7.9409 117.1752 54.1397 41.1886 176.3453 145 V 4.1178 9.1120 119.9537 61.0665 30.9792 175.8248 146 T 4.0137 8.2183 118.5595 61.6883 70.4326 174.3998 147 E 3.8772 8.9673 122.8337 60.1025 29.4741 179.8614 148 E 3.9870 8.0923 117.7794 59.5184 29.6617 179.2982 149 I 3.8462 7.7986 119.3040 64.0953 37.1822 178.2802 150 A 4.1061 8.3457 121.9904 55.0830 18.0128 179.4041 151 L 3.7814 8.0067 117.8925 58.1188 42.2569 178.6868 152 K 4.2244 7.9595 118.1325 59.5803 32.3769 178.1167 153 F 5.0176 9.0267 121.0895 61.5345 39.2661 177.6005 154 L 4.2166 7.9648 114.5083 55.7082 41.0174 178.5832 *156 W 5.0986 7.9351 131.5332 57.6172 32.7775 176.9786 157 F 3.8143 8.9465 120.3601 61.4427 37.8605 177.0208 158 F 4.1667 9.0570 120.4949 60.5478 39.3280 176.4549 159 S 4.7781 8.3000 112.5322 59.3290 64.0746 176.5166 160 G 3.5994 8.4923 110.1617 47.5848 0.0000 175.3725 161 F 3.9129 7.9487 123.1360 60.8695 39.2690 176.8063 162 E 2.8797 7.3660 119.0804 58.9689 29.3435 178.0241 163 E 3.6883 7.6886 119.0716 59.5014 29.4883 179.1351 164 V 3.4843 7.6276 118.0930 66.0662 31.5103 177.5031 165 Y 4.2186 7.2214 116.7880 59.7124 38.1212 177.7432 166 L 4.0537 7.3533 120.9352 57.3681 41.3680 179.5852 167 R 4.0740 7.3954 117.5240 59.4092 30.3408 178.7936 168 T 3.8599 7.9007 114.3752 65.8336 68.5428 175.4135 169 Y 4.6479 8.0599 116.6658 56.2323 38.2838 175.1024 170 Q 4.2197 6.9876 120.6661 58.0203 29.2825 177.4676 171 G 4.0239 9.0865 112.8142 45.8270 0.0000 173.3780 172 K 4.7404 8.1585 118.5562 53.7177 32.8075 175.2606 173 P 4.2358 0.0000 0.0000 66.2967 31.5162 178.3551 174 E 3.9747 8.1736 117.5930 58.9051 29.2852 179.1563 175 L 4.0522 7.7697 119.4458 57.3274 41.5505 178.9276 176 L 2.8922 7.7119 118.9300 57.9259 42.0377 178.8026 177 K 3.9844 7.7250 116.9108 59.3758 31.9974 179.0642 178 R 4.0368 7.9487 118.4209 58.3978 31.5375 177.5755 179 D 4.5644 8.0514 121.6730 52.6932 37.8151 176.5502 *181 N 4.6289 7.8109 118.5185 52.8364 40.3031 178.0262 182 T 3.8362 7.9487 115.8818 66.6443 68.5825 175.9658 183 L 4.0772 8.1601 121.1993 58.0210 41.6959 179.7632 184 V 3.5658 7.7813 117.3734 66.1716 31.3260 177.5529 185 E 3.9680 8.0828 118.4373 59.2086 29.2233 178.6064 186 E 4.0070 8.1459 118.0667 59.2255 29.5840 179.1603 187 V 3.7340 7.7251 117.3737 65.8734 32.0018 177.6576 188 K 4.0791 8.0847 118.2922 59.5592 31.8608 180.1568 189 V 3.7494 7.3524 116.9331 63.3643 31.5430 177.6021 *191 L 3.9449 7.9710 119.0059 54.2056 43.8305 179.5865 192 R 3.8008 7.7550 117.4812 58.8538 29.7923 179.0337 193 I 3.5960 7.9144 120.0721 64.2627 36.9043 178.3220 194 L 3.7308 7.4777 117.7020 57.5860 41.5667 178.8597 195 K 3.3317 7.5354 118.3186 59.2863 31.9635 178.3069 196 K 4.1410 7.6222 118.3533 59.1789 32.1476 178.8542 197 G 3.8161 8.0080 104.1862 44.5482 0.0000 173.1130 *199 T 4.2942 7.4062 110.0206 60.6186 69.9857 173.8359 200 K 4.1497 8.5440 120.0846 56.8099 31.9797 177.3284 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 0 H 8.44 4.65 0.00 3.28 3.38 0.00 5.53 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 L 8.12 4.10 0.00 1.67 1.66 0.90 0.81 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 3 S 8.21 4.32 0.00 3.98 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 4 K 8.43 3.92 0.00 1.63 1.95 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.57 7.81 5 R 7.38 3.62 0.00 1.09 1.64 0.00 2.94 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 6 D 7.97 4.35 0.00 2.83 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 7 A 8.16 3.97 1.35 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 0.00 0.00 0.00 8 I 7.80 3.63 2.22 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.83 1.00 0.00 0.00 9 L 8.25 3.80 0.00 1.64 1.65 1.00 0.78 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 10 K 7.99 3.79 0.00 1.88 1.92 0.00 1.61 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 1.37 1.40 7.81 11 A 7.88 3.87 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 12 A 8.00 3.43 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.47 2.52 1.94 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 0.86 0.00 0.00 0.29 0.00 0.00 14 E 7.93 3.93 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 15 V 8.03 3.65 1.83 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 1.10 0.00 0.00 0.85 0.00 0.00 16 F 8.66 4.75 0.00 3.55 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 17 G 8.29 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.21 4.23 0.00 1.88 1.92 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.66 7.81 19 K 8.67 4.53 0.00 1.86 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.44 7.81 20 G 8.54 4.13 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 0.00 21 Y 8.50 4.19 0.00 2.58 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 22 D 8.19 4.33 0.00 2.73 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 23 R 7.97 4.05 0.00 2.02 2.00 0.00 3.24 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 24 A 7.69 4.12 1.35 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 0.00 0.00 0.00 25 T 7.87 4.67 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 26 T 8.32 3.95 4.29 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 1.27 0.00 0.00 27 D 8.02 4.32 0.00 2.70 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 28 E 8.09 3.91 0.00 2.04 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 0.00 2.25 2.32 0.00 29 I 7.62 3.61 1.90 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.35 0.79 0.00 0.00 30 A 8.36 4.07 1.48 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 0.00 0.00 31 E 8.53 3.96 0.00 1.97 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 2.24 2.18 0.00 32 K 7.96 4.12 0.00 1.87 1.93 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.42 7.81 33 A 8.17 4.25 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 34 G 7.74 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.86 4.50 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 0.78 0.00 0.00 1.08 0.00 0.00 36 A 8.68 4.09 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 37 K 9.11 4.06 0.00 1.77 1.84 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.09 7.81 38 G 8.21 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.09 0.00 3.06 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 117 I 7.73 3.85 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.97 0.66 0.00 0.00 118 L 7.93 4.02 0.00 1.80 1.68 0.87 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.87 3.96 0.00 1.82 1.76 0.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.01 4.57 0.00 2.88 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 0.00 121 L 8.06 4.37 0.00 1.76 1.74 1.05 0.61 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 0.00 122 E 7.90 3.87 0.00 2.23 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 0.00 2.27 2.34 0.00 123 K 7.95 3.99 0.00 1.81 1.85 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.52 7.81 124 S 7.96 4.38 0.00 4.14 4.13 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 0.00 125 Q 8.42 4.06 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 126 R 8.26 4.08 0.00 2.09 2.05 0.00 2.93 0.00 0.00 2.90 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 127 V 7.66 3.66 2.28 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 1.18 0.00 0.00 1.03 0.00 0.00 128 F 8.14 4.54 0.00 2.21 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 0.00 129 F 7.98 3.76 0.00 3.08 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 0.00 130 D 8.95 4.41 0.00 2.84 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 0.00 131 F 7.76 4.17 0.00 3.15 3.24 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 0.00 132 V 7.46 3.04 1.63 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 0.59 0.00 0.00 0.23 0.00 0.00 133 R 6.97 3.56 0.00 1.51 1.84 0.00 3.25 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.42 0.00 134 E 7.52 3.92 0.00 2.17 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 2.22 2.27 0.00 135 K 7.51 3.81 0.00 1.46 1.49 0.00 1.37 0.00 0.00 1.36 0.00 0.00 2.69 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.68 0.21 7.81 136 L 7.33 4.03 0.00 1.72 1.62 0.81 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.53 4.09 0.00 1.97 1.81 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.28 7.81 138 D 7.57 4.68 0.00 2.71 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 0.00 139 L 7.47 4.61 0.00 1.56 1.57 1.05 1.25 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 0.00 140 D 8.45 4.52 0.00 2.80 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.95 4.83 0.00 1.68 1.62 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.15 4.72 1.24 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 0.00 0.00 0.00 143 E 8.97 4.18 0.00 2.00 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 2.23 1.88 0.00 144 D 7.94 4.74 0.00 2.77 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 0.00 145 V 9.11 4.12 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 0.90 0.00 0.00 0.99 0.00 0.00 146 T 8.22 4.01 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 0.00 147 E 8.97 3.88 0.00 2.01 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 2.37 2.42 0.00 148 E 8.09 3.99 0.00 2.12 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 1.97 0.00 149 I 7.80 3.85 1.94 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 1.45 0.64 1.01 0.00 0.00 150 A 8.35 4.11 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 0.00 151 L 8.01 3.78 0.00 1.61 1.82 0.40 0.10 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 0.00 152 K 7.96 4.22 0.00 2.09 2.11 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.55 1.54 7.81 153 F 9.03 5.02 0.00 3.29 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 0.00 154 L 7.96 4.22 0.00 1.91 1.69 0.62 0.69 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 *156 W 7.94 5.10 0.00 3.48 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 0.00 157 F 8.95 3.81 0.00 3.18 3.35 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 0.00 158 F 9.06 4.17 0.00 3.68 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 S 8.30 4.78 0.00 4.27 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.49 3.60 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 0.00 0.00 0.00 161 F 7.95 3.91 0.00 2.59 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 0.00 162 E 7.37 2.88 0.00 1.92 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.84 0.00 163 E 7.69 3.69 0.00 2.21 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 2.24 2.29 0.00 164 V 7.63 3.48 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 0.98 0.00 0.00 0.89 0.00 0.00 165 Y 7.22 4.22 0.00 3.28 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 0.00 166 L 7.35 4.05 0.00 1.51 1.67 0.72 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 167 R 7.40 4.07 0.00 1.87 1.92 0.00 3.13 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 168 T 7.90 3.86 3.80 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 0.00 0.00 0.67 0.00 0.00 169 Y 8.06 4.65 0.00 3.29 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 0.00 170 Q 6.99 4.22 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.72 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 171 G 9.09 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 0.00 172 K 8.16 4.74 0.00 2.10 1.82 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.21 7.81 173 P 0.00 4.24 0.00 2.23 2.31 0.00 3.82 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 174 E 8.17 3.97 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 2.40 1.97 0.00 175 L 7.77 4.05 0.00 2.04 1.99 0.96 0.47 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 0.00 176 L 7.71 2.89 0.00 0.97 1.61 0.11 0.39 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 0.00 177 K 7.73 3.98 0.00 1.88 1.79 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.52 7.81 178 R 7.95 4.04 0.00 1.87 2.12 0.00 3.25 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 179 D 8.05 4.56 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 *181 N 7.81 4.63 0.00 2.95 3.09 0.00 0.00 6.12 7.22 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 0.00 182 T 7.95 3.84 4.40 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 1.27 0.00 0.00 183 L 8.16 4.08 0.00 1.65 1.86 0.77 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 184 V 7.78 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 1.12 0.00 0.00 0.88 0.00 0.00 185 E 8.08 3.97 0.00 2.29 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 0.00 2.31 2.40 0.00 186 E 8.15 4.01 0.00 2.24 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 0.00 2.39 2.51 0.00 187 V 7.73 3.73 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 0.69 0.00 0.00 0.42 0.00 0.00 188 K 8.08 4.08 0.00 1.98 1.86 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.68 7.81 189 V 7.35 3.75 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 1.11 0.00 0.00 0.95 0.00 0.00 *191 L 7.97 3.94 0.00 1.73 1.82 1.04 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 192 R 7.75 3.80 0.00 1.98 1.86 0.00 3.05 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.81 0.00 193 I 7.91 3.60 1.77 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 1.48 0.73 0.86 0.00 0.00 194 L 7.48 3.73 0.00 1.63 1.61 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 195 K 7.54 3.33 0.00 0.79 1.22 0.00 1.13 0.00 0.00 1.27 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.03 0.43 7.81 196 K 7.62 4.14 0.00 1.69 1.90 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.40 7.81 197 G 8.01 3.82 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 0.00 0.00 0.00 *199 T 7.41 4.29 4.45 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 1.32 0.00 0.00 200 K 8.54 4.15 0.00 2.03 1.76 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.47 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.