NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3214 8.2644 123.5891 52.3728 20.3150 177.0808 3 S 4.6977 8.3083 117.6633 56.3809 61.1753 170.0345 4 I 5.3564 8.1866 124.5775 59.0674 41.5540 174.1384 5 A 4.8992 8.8147 126.7127 50.1903 23.0538 174.9235 6 V 4.8225 8.6853 112.6796 59.8021 35.1614 174.8747 7 C 5.1015 9.3083 126.2969 57.2766 32.3302 170.9637 8 P 5.6005 0.0000 0.0000 60.2833 33.3036 175.0362 9 G 3.4179 7.6557 108.9081 46.1187 0.0000 173.8168 10 S 3.8354 8.3497 114.4441 58.9327 64.0665 174.6127 11 F 3.6930 7.0542 116.6029 58.6993 35.8069 174.1849 12 D 5.1332 7.6301 120.8569 51.3675 41.2779 172.4464 13 P 5.1140 0.0000 0.0000 59.1124 33.9860 176.5133 14 V 3.7973 8.1321 118.4539 62.4399 31.4970 175.9030 15 T 4.5656 8.3925 112.2437 59.5701 72.5496 174.5714 16 Y 4.2513 8.4296 118.4425 60.9042 37.3928 179.2955 17 G 3.6263 7.9194 107.0168 47.9807 0.0000 175.6237 18 H 4.4143 7.9750 118.1698 58.7393 28.8952 177.7076 19 L 3.9850 8.2031 120.9716 57.7517 41.4146 179.0904 20 D 4.3913 8.2616 118.0023 57.3822 41.1236 178.4348 21 I 3.7996 7.6202 120.3493 64.4304 37.0917 178.3538 22 I 3.7390 8.1081 120.8992 64.6105 37.0061 178.7467 23 K 4.0245 8.5574 119.5178 59.4505 31.5721 179.7401 24 R 4.1274 8.3146 118.6976 59.1269 29.9579 179.3294 25 G 3.7677 8.5218 105.5648 47.8860 0.0000 175.6973 26 A 4.1505 8.1771 122.1404 54.7484 18.4005 178.8573 27 H 4.3575 8.0778 116.5926 59.1192 29.9710 177.1241 28 I 3.7007 7.4370 120.7875 62.5397 37.5035 176.3125 29 F 4.7992 7.5849 116.6051 55.8686 40.6253 175.8986 30 E 4.2437 8.7121 123.1230 58.9602 30.0931 177.5107 31 Q 4.6617 8.6294 119.8799 54.1238 32.9368 174.2701 32 V 4.8730 8.7163 125.4962 61.3359 34.9294 173.4617 33 Y 4.9708 8.9178 125.8722 56.4929 40.0204 174.8981 34 V 4.5117 8.7805 125.9666 62.0560 33.1816 174.0706 35 C 5.0530 8.9060 129.4588 57.5571 33.4943 172.7492 36 V 4.4190 8.5541 127.8267 62.4641 31.5559 175.2186 37 L 4.3385 8.9713 130.3650 53.4366 41.7189 176.8951 38 N 4.3170 9.1984 125.8831 56.9335 39.3197 175.3785 39 N 4.1884 7.6328 115.8374 52.7867 38.4327 177.2169 40 S 4.7562 7.9076 116.6091 58.9863 65.4204 177.9428 41 S 4.8620 8.3238 117.4678 57.2972 62.7746 174.3936 42 K 4.2882 7.4746 121.3665 57.0210 34.4543 175.0705 43 K 4.2725 8.5631 125.6390 53.1031 32.2044 176.2953 44 P 4.7023 0.0000 0.0000 61.2562 32.3461 176.3778 45 L 3.7927 9.3074 124.1341 57.6646 42.1509 177.2668 46 F 4.7821 8.5516 115.8460 55.6005 41.0601 176.1924 47 S 4.5144 8.8523 118.7565 57.6901 65.1683 175.6335 48 V 3.6001 8.1732 120.4000 66.1595 31.1967 177.3795 49 E 3.9296 8.1159 118.6152 59.2077 29.4779 178.5022 50 E 3.9630 8.0628 118.7556 59.4423 29.5053 179.5123 51 R 3.7562 8.1000 118.1613 59.1346 30.0397 178.7027 52 C 4.0971 8.4046 121.1123 63.2095 31.5927 176.2091 53 E 3.9996 8.1155 119.9218 60.8940 29.2648 180.7404 54 L 4.0626 8.0040 119.9815 57.7528 41.8020 179.6389 55 L 3.8302 7.9203 118.8602 57.6929 41.1819 179.8051 56 R 3.8614 8.2689 118.3182 59.3723 29.8326 178.9105 57 E 3.9492 7.9766 116.8788 59.5444 29.5857 179.5219 58 V 3.9148 7.7929 110.4832 62.7259 31.9809 177.0037 59 T 4.5490 7.4078 107.8125 60.8558 69.0044 176.1088 60 K 3.9313 7.6941 122.9213 60.1811 32.4700 177.7078 61 D 4.4036 7.9855 117.1644 55.2754 41.0614 176.1020 62 I 4.2100 7.6536 121.8790 58.9650 36.7411 174.7242 63 P 4.3401 0.0000 0.0000 65.1607 31.5094 176.5556 64 N 4.9842 8.0572 115.6993 52.8355 38.6519 174.2422 65 I 4.9025 7.2924 118.5542 60.5231 39.9430 175.2453 66 T 4.5137 8.5391 122.9250 61.6871 71.7630 172.9710 67 V 4.6064 8.4686 126.7689 61.8266 32.7600 174.5481 68 E 4.9146 9.5328 126.6928 55.1642 34.5698 173.8134 69 T 4.8903 8.3436 113.8484 60.6287 70.8206 172.6687 70 S 4.6677 8.1534 117.9067 56.3464 65.7893 174.0366 71 Q 4.1095 8.9088 124.3367 59.1426 29.3593 176.3848 72 G 4.0692 7.5823 111.7530 44.3940 0.0000 173.5165 73 L 4.1768 8.2800 121.0848 54.2590 43.7797 177.4694 74 L 3.9913 8.4517 123.7867 58.4983 42.0329 179.3214 75 I 3.8218 7.7703 117.9081 64.0519 37.7724 177.2636 76 D 4.4125 8.0227 119.2634 56.8488 40.9309 177.8930 77 Y 3.9042 8.1477 120.0356 60.4130 38.7778 177.8739 78 A 3.7512 8.6069 122.0060 55.1224 18.4491 179.3779 79 R 3.7219 7.6003 116.8586 59.8626 29.8797 178.8010 80 R 3.7845 7.8211 116.5769 58.9833 30.1062 178.4411 81 K 3.7196 7.2994 115.6377 55.7833 32.2592 176.4107 82 N 4.0945 7.9286 116.8156 54.3400 37.7542 173.4147 83 A 4.5609 7.6939 118.9308 50.8742 19.8366 178.3514 84 K 4.5038 8.6279 120.0002 56.9209 34.5781 175.8913 85 A 4.8779 7.5958 122.4102 50.1817 22.9227 174.5606 86 I 4.6900 8.4064 122.2548 59.5308 39.5495 174.6254 87 L 5.1125 9.1494 127.8873 53.0678 43.5578 176.2734 88 R 4.7476 8.8110 122.1619 54.3305 34.3672 174.8003 89 G 4.4290 8.8260 108.5282 45.1771 0.0000 173.4360 90 L 4.7631 8.5126 121.3638 53.1791 43.5578 176.6585 91 R 4.0623 9.7372 124.9502 58.1451 30.6490 176.1193 92 A 4.9009 7.7764 118.3167 49.0698 22.7284 176.8062 93 V 3.7456 8.4356 119.1908 65.2387 30.8695 178.5794 94 S 4.2972 8.0260 112.7882 60.5482 62.7764 175.2173 95 D 4.6077 8.6832 122.4212 55.8965 40.3964 177.3707 96 F 3.6238 8.2469 121.6120 61.6153 39.3388 175.8374 97 E 4.0737 8.0750 118.2782 59.5515 30.0606 178.1041 98 Y 4.2582 8.0780 119.4692 60.6687 39.2634 178.0016 99 E 4.2726 7.7000 118.5142 56.3296 29.0530 178.9131 *101 Q 4.1058 8.4123 120.8696 56.1397 31.0352 176.9696 102 G 3.5202 7.5090 104.0826 48.2662 0.0000 175.4124 103 T 3.9489 7.9302 115.2457 64.4887 67.2094 176.8300 104 S 4.1179 7.8290 117.0671 61.2973 62.9390 176.5710 105 V 3.5508 7.9104 120.9847 66.2171 31.3269 177.8412 106 N 4.3060 8.2194 116.2662 56.3423 38.0790 177.3944 107 R 3.8374 7.8670 119.4160 59.2354 30.2086 178.5189 108 V 3.7191 7.3369 117.4646 66.0278 31.6596 177.8343 109 L 4.3823 7.7861 117.5592 56.8414 42.1649 176.8472 110 D 4.3703 8.1646 117.7690 53.6707 42.1613 175.0913 111 E 4.2718 8.5455 123.5211 57.0999 30.2362 178.0896 112 S 4.2760 8.0005 113.4774 59.5407 63.6487 173.7578 113 I 4.4432 7.2993 122.4863 59.6839 38.2966 174.8640 114 E 4.3119 8.7413 128.6340 55.2156 31.6301 174.6583 115 T 4.6206 8.0787 121.6840 61.9063 70.3342 173.7189 116 F 5.1942 8.6650 125.7037 55.9312 41.6371 175.4091 117 F 6.0030 9.1132 120.9734 55.0718 42.1570 175.4428 *120 A 4.2732 8.3883 120.4364 51.5484 18.7152 176.9183 121 N 5.0884 8.2864 123.9299 51.9693 38.6372 174.4103 122 N 4.7225 7.5351 116.9280 53.6286 39.2905 174.5345 123 Q 4.1509 8.5573 115.2898 58.6784 28.9267 176.0921 124 Y 4.7120 7.7291 116.3132 57.9633 38.5263 177.4259 125 S 4.2495 7.9136 115.4156 61.1510 63.0070 175.8456 126 F 4.3209 8.5000 116.9047 58.9919 38.1344 176.0361 127 L 3.9629 6.7670 121.4859 53.4075 42.0737 181.3481 128 S 4.6181 7.5563 111.1664 57.1442 66.7507 175.6267 129 S 4.1769 8.5768 118.7648 61.8023 62.5833 177.1366 130 S 4.1357 7.9952 117.2809 61.7716 62.7013 176.5648 131 I 3.7248 7.6843 122.3368 64.5612 36.7365 178.9665 132 V 3.8143 7.9012 113.1147 64.4221 31.3072 178.8112 133 K 4.1625 8.5144 118.6108 59.4079 32.0054 179.3105 134 E 3.8694 8.2755 118.8355 59.3724 29.4928 179.2176 135 V 3.6837 7.9566 117.9792 66.2559 31.5594 177.7398 136 A 3.9830 8.2733 120.4121 55.3536 18.0206 179.5318 137 R 2.5100 7.5000 116.0316 58.4933 29.8666 177.2886 138 Y 4.6397 6.9908 113.6341 57.2945 38.2437 175.1883 139 D 4.4447 7.7173 117.5264 55.0442 40.1046 174.2522 140 G 3.9869 7.9158 106.7278 43.8470 0.0000 173.5811 141 S 4.4410 8.3103 113.8216 57.6812 63.1377 173.8773 142 V 4.0760 8.0679 118.5536 60.8587 32.5199 177.6158 143 S 4.1600 7.5659 116.3599 61.1840 62.7929 175.3021 144 E 4.3804 7.6804 118.1839 57.4542 29.8305 176.9196 145 F 5.1605 8.0428 117.7640 58.1549 40.5392 176.0407 146 V 3.9907 7.0677 110.8032 57.4183 35.6027 173.9322 147 P 4.3897 0.0000 0.0000 61.4130 33.1474 175.8700 148 P 4.2486 0.0000 0.0000 66.0237 31.2527 178.8908 149 E 3.9583 8.0909 116.8147 59.3805 29.3200 179.4521 150 V 3.4869 7.4614 117.8667 65.6385 31.6744 177.4138 151 E 3.9176 8.2137 119.2236 59.2819 29.3602 178.7064 152 L 3.9524 8.0533 120.0474 58.0938 42.1990 178.7096 153 A 4.2074 8.0414 120.7912 55.1982 18.1858 179.6451 154 L 4.1744 8.3585 117.6937 58.0703 41.5043 179.6447 155 Q 4.1148 7.9606 117.0136 59.1674 28.7846 178.7159 156 Q 4.1544 8.3858 119.1515 58.7498 28.7549 178.7112 157 K 3.7838 8.4808 120.9980 59.5106 32.0467 178.5860 158 F 4.5124 7.9114 115.3538 59.2775 38.9534 177.1137 159 R 4.2253 7.5572 117.4315 56.7580 30.5117 176.5836 160 Q 4.3404 7.2771 116.9606 54.8653 29.8761 176.0403 161 G 3.7093 8.4568 109.2806 45.2826 0.0000 173.7092 162 G 3.8433 7.5560 107.6807 45.7207 0.0000 175.1759 163 S 4.4716 8.8570 114.6533 58.8328 62.3834 173.8016 164 H 4.5391 8.3320 123.0167 56.3841 28.3818 172.9481 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 A 8.26 4.32 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 3 S 8.31 4.70 0.00 4.05 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 4 I 8.19 5.36 2.09 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.61 1.14 0.00 0.00 5 A 8.81 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.69 4.82 2.22 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 0.82 0.00 0.00 1.08 0.00 0.00 7 C 9.31 5.10 0.00 3.02 2.94 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 8 P 0.00 5.60 0.00 2.05 2.01 0.00 3.73 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.77 0.00 9 G 7.66 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 0.00 0.00 0.00 10 S 8.35 3.84 0.00 3.95 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 7.05 3.69 0.00 3.20 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.63 5.13 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 5.11 0.00 2.04 1.80 0.00 3.56 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 14 V 8.13 3.80 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 0.62 0.00 0.00 0.80 0.00 0.00 15 T 8.39 4.57 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 1.27 0.00 0.00 16 Y 8.43 4.25 0.00 2.60 1.69 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 17 G 7.92 3.63 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 0.00 0.00 0.00 18 H 7.98 4.41 0.00 3.45 3.58 0.00 5.65 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 19 L 8.20 3.99 0.00 1.86 1.75 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.26 4.39 0.00 2.97 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 21 I 7.62 3.80 2.16 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.82 1.03 0.00 0.00 22 I 8.11 3.74 1.99 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.75 0.88 0.00 0.00 23 K 8.56 4.02 0.00 1.79 1.89 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.78 7.81 24 R 8.31 4.13 0.00 2.16 2.06 0.00 3.27 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 25 G 8.52 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.18 4.15 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 27 H 8.08 4.36 0.00 3.16 3.64 0.00 5.95 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.44 3.70 1.93 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.89 0.20 0.00 0.00 29 F 7.58 4.80 0.00 3.00 3.15 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 0.00 0.00 0.00 30 E 8.71 4.24 0.00 2.35 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 2.34 2.13 0.00 31 Q 8.63 4.66 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.02 1.84 0.00 32 V 8.72 4.87 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 0.93 0.00 0.00 0.99 0.00 0.00 33 Y 8.92 4.97 0.00 3.10 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 34 V 8.78 4.51 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 0.57 0.00 0.00 0.86 0.00 0.00 35 C 8.91 5.05 0.00 2.89 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 36 V 8.55 4.42 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.03 0.00 0.00 37 L 8.97 4.34 0.00 1.70 1.54 0.92 0.28 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 38 N 9.20 4.32 0.00 2.66 2.82 0.00 0.00 7.07 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 39 N 7.63 4.19 0.00 2.78 2.63 0.00 0.00 6.40 7.64 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 40 S 7.91 4.76 0.00 3.58 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 41 S 8.32 4.86 0.00 3.60 3.73 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 42 K 7.47 4.29 0.00 1.60 1.61 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.23 1.33 7.81 43 K 8.56 4.27 0.00 1.82 1.59 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.35 0.99 7.81 44 P 0.00 4.70 0.00 2.39 2.08 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 45 L 9.31 3.79 0.00 1.46 1.58 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.55 4.78 0.00 3.07 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 47 S 8.85 4.51 0.00 4.07 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 48 V 8.17 3.60 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.93 0.00 0.00 49 E 8.12 3.93 0.00 2.17 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 1.97 0.00 50 E 8.06 3.96 0.00 2.26 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 2.40 0.00 51 R 8.10 3.76 0.00 2.03 2.00 0.00 3.51 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 52 C 8.40 4.10 0.00 3.22 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 53 E 8.12 4.00 0.00 2.04 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 0.00 2.24 2.22 0.00 54 L 8.00 4.06 0.00 1.65 1.55 0.32 0.58 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 55 L 7.92 3.83 0.00 1.80 1.53 0.48 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.27 3.86 0.00 1.91 1.94 0.00 3.11 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 1.79 0.00 57 E 7.98 3.95 0.00 2.15 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 2.31 2.46 0.00 58 V 7.79 3.91 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 0.81 0.00 0.00 0.88 0.00 0.00 59 T 7.41 4.55 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 1.15 0.00 0.00 60 K 7.69 3.93 0.00 1.84 1.97 0.00 1.47 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.41 1.62 7.81 61 D 7.99 4.40 0.00 2.68 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 62 I 7.65 4.21 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.19 0.94 0.00 0.00 63 P 0.00 4.34 0.00 2.16 2.17 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 64 N 8.06 4.98 0.00 2.97 3.04 0.00 0.00 6.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.29 4.90 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.64 0.84 0.00 0.00 66 T 8.54 4.51 3.98 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 0.00 0.00 1.30 0.00 0.00 67 V 8.47 4.61 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 0.78 0.00 0.00 0.85 0.00 0.00 68 E 9.53 4.91 0.00 2.00 1.88 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 2.34 2.46 0.00 69 T 8.34 4.89 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 70 S 8.15 4.67 0.00 3.45 3.41 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 71 Q 8.91 4.11 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 72 G 7.58 4.07 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 0.00 0.00 0.00 73 L 8.28 4.18 0.00 1.70 1.59 0.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.45 3.99 0.00 1.72 1.65 0.98 0.85 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 75 I 7.77 3.82 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.02 0.89 0.00 0.00 76 D 8.02 4.41 0.00 2.85 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 77 Y 8.15 3.90 0.00 3.07 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 78 A 8.61 3.75 1.26 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 0.00 0.00 79 R 7.60 3.72 0.00 1.79 2.00 0.00 3.07 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 80 R 7.82 3.78 0.00 1.83 1.73 0.00 3.17 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 81 K 7.30 3.72 0.00 1.42 1.10 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.38 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.50 0.44 7.81 82 N 7.93 4.09 0.00 2.75 2.87 0.00 0.00 7.07 7.85 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 83 A 7.69 4.56 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.63 4.50 0.00 1.86 2.07 0.00 1.36 0.00 0.00 1.85 0.00 0.00 3.17 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.58 1.51 7.81 85 A 7.60 4.88 1.02 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 86 I 8.41 4.69 1.69 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 1.17 0.61 0.79 0.00 0.00 87 L 9.15 5.11 0.00 1.48 1.63 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.81 4.75 0.00 1.44 1.93 0.00 3.27 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 1.38 1.57 0.00 89 G 8.83 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 0.00 0.00 0.00 90 L 8.51 4.76 0.00 1.61 1.67 0.83 0.75 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 91 R 9.74 4.06 0.00 1.80 2.11 0.00 3.19 0.00 0.00 3.44 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.58 0.00 92 A 7.78 4.90 1.26 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 0.00 0.00 93 V 8.44 3.75 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 0.90 0.00 0.00 0.85 0.00 0.00 94 S 8.03 4.30 0.00 4.07 4.07 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 95 D 8.68 4.61 0.00 2.85 2.80 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 96 F 8.25 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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 0.88 0.00 0.00 1.09 0.00 0.00 133 K 8.51 4.16 0.00 1.86 2.01 0.00 1.72 0.00 0.00 1.85 0.00 0.00 3.17 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.79 7.81 134 E 8.28 3.87 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 135 V 7.96 3.68 2.40 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 1.18 0.00 0.00 1.16 0.00 0.00 136 A 8.27 3.98 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 0.00 137 R 7.50 2.51 0.00 0.68 1.41 0.00 2.67 0.00 0.00 2.77 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.93 0.00 138 Y 6.99 4.64 0.00 3.06 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 D 7.72 4.44 0.00 2.83 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 0.00 140 G 7.92 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 0.00 141 S 8.31 4.44 0.00 3.81 3.70 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 0.00 142 V 8.07 4.08 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 0.93 0.00 0.00 0.95 0.00 0.00 143 S 7.57 4.16 0.00 3.99 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 0.00 144 E 7.68 4.38 0.00 1.74 2.26 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 2.38 2.30 0.00 145 F 8.04 5.16 0.00 3.08 2.94 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 0.00 146 V 7.07 3.99 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 0.72 0.00 0.00 0.91 0.00 0.00 147 P 0.00 4.39 0.00 2.04 1.95 0.00 3.56 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 148 P 0.00 4.25 0.00 2.15 2.11 0.00 3.62 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 149 E 8.09 3.96 0.00 1.98 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 0.00 2.36 2.40 0.00 150 V 7.46 3.49 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 1.01 0.00 0.00 0.83 0.00 0.00 151 E 8.21 3.92 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 152 L 8.05 3.95 0.00 1.82 1.78 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 153 A 8.04 4.21 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 0.00 154 L 8.36 4.17 0.00 2.03 2.00 1.06 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 155 Q 7.96 4.11 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 156 Q 8.39 4.15 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 157 K 8.48 3.78 0.00 1.47 1.52 0.00 0.83 0.00 0.00 1.27 0.00 0.00 2.70 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.46 7.81 158 F 7.91 4.51 0.00 3.18 3.04 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 0.00 159 R 7.56 4.23 0.00 1.93 2.00 0.00 3.17 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 160 Q 7.28 4.34 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 161 G 8.46 3.71 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 0.00 0.00 0.00 162 G 7.56 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 0.00 163 S 8.86 4.47 0.00 4.00 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 0.00 164 H 8.33 4.54 0.00 3.34 3.26 0.00 5.59 0.00 0.00 0.00 0.00 6.91 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.