NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2526 8.3645 123.5821 51.6362 18.4248 177.0771 3 R 3.7024 7.8999 119.2081 56.6991 30.4364 179.0693 4 R 4.7026 8.0347 120.7834 56.6936 33.3496 180.1508 5 R 4.0099 8.8156 112.4289 58.5428 28.5444 173.4438 6 R 3.5980 8.0692 107.2812 57.9269 26.2777 179.6250 7 A 3.7641 6.9434 126.3663 49.7941 20.6597 177.5857 8 E 4.4197 8.5764 120.3115 54.3512 31.1765 175.6607 9 V 3.6269 8.6631 124.2147 60.5417 31.4417 173.4585 10 R 4.0711 8.6000 127.1322 55.8916 29.8862 173.6364 11 Q 4.5229 8.5571 123.6713 52.9484 29.4059 174.2410 12 L 4.3733 8.4358 126.0635 53.3923 42.0222 173.0937 13 Q 4.4463 8.3734 117.7847 54.7798 29.0563 173.6235 14 P 4.3501 0.0000 0.0000 61.7093 31.5972 173.4270 15 D 4.6934 8.6603 118.2987 54.9468 40.3963 177.9637 16 L 4.5114 8.4402 118.5716 56.4993 42.1604 177.8257 17 V 4.3521 7.8536 113.9119 62.1747 32.9399 181.3306 *18 Y 4.6112 7.5052 112.1687 55.8128 40.2658 180.6452 19 G 4.3632 8.2017 107.4522 46.4427 0.0000 174.7361 20 D 4.3963 8.0224 118.3322 54.1964 42.7688 182.1416 21 V 2.6480 8.1829 120.9607 59.5969 34.4397 178.5126 22 L 3.9237 7.9233 125.3246 59.9745 42.0924 181.8355 23 V 3.8758 8.3800 123.3498 67.0952 31.4602 181.0684 24 T 4.1858 8.2616 114.6154 66.0693 68.0754 178.2158 25 A 4.4556 7.9238 124.8561 55.6576 18.9117 179.9697 *26 F 4.1862 8.7424 121.6218 62.7344 38.1431 179.8232 27 I 3.9472 8.3946 124.5370 65.7932 34.6858 179.8174 28 N 4.5391 9.1655 124.7453 58.2909 37.1462 180.0043 29 K 4.3473 8.0393 127.0323 60.0094 31.7775 181.4008 30 I 4.1851 7.7644 121.6670 64.9412 35.8830 181.1808 31 M 4.3035 7.1107 118.6961 55.6535 31.4525 179.0365 32 R 4.5987 8.0483 120.5611 56.1456 33.2976 175.6038 33 D 4.4333 9.8043 119.0776 52.8161 37.3811 170.6329 34 G 3.8299 7.8042 112.8177 47.3705 0.0000 174.6733 35 K 4.4007 7.9647 123.2834 55.2768 35.2804 181.9093 36 K 3.7224 9.3277 120.1155 56.7641 32.1813 182.6712 37 N 3.9222 8.0908 123.7411 57.4328 39.3740 178.1434 38 L 4.3043 8.2273 123.1321 59.8804 41.0490 181.6204 39 A 4.2169 8.0779 120.4199 54.8485 18.2177 179.4746 40 A 4.0030 9.2894 122.2783 56.0235 18.3171 180.3731 41 R 3.9452 8.8937 122.3185 62.4390 29.3817 181.2627 42 I 4.0201 7.8905 123.5212 65.8130 35.2706 180.6489 *43 F 4.3165 7.9607 124.9035 62.5820 37.7291 179.7358 *44 Y 4.2486 7.9609 123.0177 62.6085 36.9254 180.0024 45 D 4.6293 9.8104 122.6234 58.3187 39.7133 180.5797 46 A 4.5315 8.5685 125.5090 55.7396 18.5139 179.8047 47 C 4.3570 8.3767 120.5224 63.3700 27.9614 181.6252 48 K 4.3252 8.6485 128.7222 60.3587 31.5764 182.3573 49 I 3.5675 7.9320 119.9971 62.6492 35.6026 179.9428 50 I 4.2434 7.2572 117.1660 62.1704 35.9205 183.1643 51 Q 4.2684 8.8319 119.6898 58.1441 28.8498 182.5384 52 E 4.0145 8.1543 115.1876 57.5400 29.1525 182.9311 53 K 4.0425 5.9273 126.9907 57.9601 33.0364 179.8880 54 T 4.8098 8.3004 108.5518 60.2076 72.4911 179.6957 55 G 3.8035 8.7652 115.3919 47.9544 0.0000 175.5128 56 Q 3.9787 8.1831 119.7913 55.5406 28.2285 180.1181 57 E 4.1494 8.9496 120.2549 55.7070 30.7217 175.2873 58 P 4.4830 0.0000 0.0000 68.0339 30.7487 180.4743 59 L 4.2498 7.9847 124.0815 60.1277 40.9890 181.9891 60 K 4.1805 8.2564 126.9092 60.3668 31.2856 181.9246 61 V 3.9600 7.4271 120.4497 67.0918 31.8168 181.1982 *62 F 4.4157 8.1797 123.7225 61.6429 37.5101 180.1022 63 K 4.0452 8.7867 122.5008 58.4030 31.7822 181.3158 64 Q 4.4076 8.1628 114.4006 55.2636 28.1256 178.1117 65 A 4.5125 8.4436 123.9075 54.9336 20.3234 181.0248 66 V 3.5355 7.9633 115.6291 64.6072 31.9742 183.2654 67 E 3.7410 7.7572 117.8367 58.9387 29.5067 180.3376 68 N 4.5994 7.6465 114.7847 54.7983 37.6115 181.8917 69 V 3.9151 8.9071 117.1760 63.3121 32.4963 182.4100 70 K 4.6934 6.9590 122.1796 52.8019 31.4412 176.5396 71 P 4.6722 0.0000 0.0000 61.3171 31.6649 173.2379 72 R 4.6474 8.3777 119.8527 56.4622 30.5915 176.3018 73 M 5.0459 7.4987 115.7785 55.3156 35.7158 179.4850 74 E 4.6839 8.8625 123.1386 56.5715 34.2899 178.6866 75 V 5.1279 8.0816 107.6542 64.4402 33.8490 170.3847 76 R 4.2681 8.3161 126.1797 56.1968 29.2444 177.6545 77 S 5.0128 8.6191 125.7197 59.0152 63.1373 172.0961 78 R 4.6164 8.5078 122.3349 56.5223 34.4700 175.8435 79 R 4.9299 8.2873 119.9733 56.7005 28.5395 177.0838 80 V 3.6864 7.8347 114.8844 61.0502 31.9185 174.5252 81 G 4.0529 8.5924 115.5187 47.6384 0.0000 172.5501 82 G 4.1674 10.3343 112.2076 45.8643 0.0000 172.6556 83 A 4.3858 7.3742 121.1594 52.0972 21.7298 176.0243 84 N 4.7426 8.4264 117.9335 51.2582 37.3830 171.1251 *85 Y 4.2682 8.2497 126.0029 56.7182 37.9625 177.1765 86 Q 3.7482 8.8668 120.5805 59.1658 28.8538 177.8117 87 V 3.1454 7.8201 121.9991 61.2759 28.8832 172.2757 88 P 5.3782 0.0000 0.0000 60.5948 33.0503 172.0899 89 M 4.9750 8.3096 122.4242 53.9318 36.3486 175.1468 90 E 4.5906 8.8897 117.6468 58.5018 30.9663 177.5072 91 V 4.2223 8.2718 122.7981 60.6051 32.7836 177.8179 92 S 4.1231 8.9233 125.4347 57.6231 62.4708 171.0818 93 P 4.3820 0.0000 0.0000 64.4451 30.7576 177.0177 94 R 4.2770 8.0505 119.9548 62.4889 29.6653 184.8420 95 R 4.3478 8.5107 123.6110 62.7746 29.5947 181.9013 96 Q 4.0483 7.9599 123.3942 60.6348 28.3332 181.6911 97 Q 4.2431 8.4407 124.4208 61.9144 28.1076 181.7252 98 S 4.1701 8.2912 120.9892 64.3420 62.0830 179.2163 99 L 4.1517 7.9987 123.4352 60.5375 40.9796 180.8232 100 A 3.9113 8.7660 120.8987 56.3671 18.2006 179.9115 101 L 3.9924 8.2595 120.7354 59.7199 41.2868 182.3366 102 R 4.1640 7.7713 122.6859 62.3734 29.4750 180.5427 *103 W 4.4301 9.1929 126.2706 62.6102 28.1582 180.5679 104 L 4.0767 8.4273 123.3941 60.6149 40.3498 182.5312 105 V 4.0474 8.2684 121.8795 67.6660 31.5673 180.4622 106 Q 4.3882 8.6554 120.9741 58.3462 27.6224 180.6837 107 A 4.1407 7.8671 123.4337 55.8674 19.0294 178.7906 108 A 3.9626 8.7630 121.3367 56.5166 18.1372 179.9530 109 N 4.4150 8.2928 120.8851 57.8806 37.8341 179.9244 110 Q 4.4488 7.9511 122.2677 60.3324 28.4195 182.3377 111 R 4.3219 7.7972 120.2397 56.4093 30.1420 178.6818 112 P 4.4447 0.0000 0.0000 67.4094 31.0487 175.6428 113 E 3.9262 7.7479 115.8176 55.5148 30.6563 179.0027 114 R 4.5921 8.5039 121.0883 56.9988 30.0375 177.0526 115 R 4.7187 7.6520 117.9766 55.3607 31.5454 176.1772 116 A 4.5676 8.2412 112.1769 56.1879 20.2798 178.7612 117 A 3.8642 8.1784 120.3324 55.5731 18.6931 180.8299 118 V 3.6994 7.5500 118.4299 66.5785 32.2823 181.2069 119 R 4.2351 7.6300 123.4270 62.2076 29.1768 181.4143 120 I 4.0702 8.6050 121.5879 64.7455 35.5660 179.2935 121 A 4.1528 8.1093 123.9375 56.6077 17.7995 179.4131 *122 H 4.0344 8.4271 117.4985 61.0127 27.9273 180.1884 123 E 4.0188 7.9189 121.7756 61.5357 29.6694 181.7704 124 L 4.3907 8.0106 123.7212 60.3474 41.0458 184.3385 125 M 4.2292 8.6654 123.5316 60.7618 31.3795 181.3681 126 D 4.6277 9.2527 122.8279 58.2055 39.7294 180.3286 127 A 4.4378 8.8158 121.2138 54.2409 18.1217 177.8883 128 A 4.5901 7.7576 122.0502 52.9874 18.8218 178.9588 129 E 4.6001 8.0637 110.9748 57.7088 33.2536 177.9468 130 G 3.8601 8.8062 108.3003 47.9043 0.0000 174.3930 131 K 4.5864 8.3461 118.4886 52.9573 36.2895 177.6962 132 G 4.2739 8.9503 105.3710 44.9732 0.0000 175.6955 133 G 3.6199 8.6996 107.5448 47.6833 0.0000 175.2677 134 A 4.1316 8.1778 125.5206 55.7790 18.3027 180.3259 135 V 3.6669 7.8671 118.8357 66.1414 31.7684 181.1990 136 K 4.1370 8.3851 125.9121 60.9736 31.5442 183.3575 137 K 4.2678 7.9543 127.5808 60.1388 31.6872 181.7435 138 K 4.3031 8.0815 126.9484 60.0595 31.2354 182.0820 139 E 4.2295 8.0223 119.1537 62.2206 29.0275 182.9884 140 D 4.7994 8.1859 124.7027 59.0675 39.6970 180.2404 141 V 4.2574 8.1759 121.7093 64.8564 31.2408 182.8452 142 E 4.1430 7.8557 121.1846 58.5382 31.0182 181.3705 143 R 4.3072 8.8433 119.5580 60.2629 30.0981 184.2494 144 M 4.3118 7.4594 110.2413 55.4188 30.9795 178.1698 145 A 4.6738 8.0705 121.6270 53.4231 20.7200 178.0419 146 E 4.4669 8.1050 114.4265 52.9560 28.6098 180.5211 147 A 5.3389 8.4320 135.0000 53.1629 19.5245 178.9070 148 N 4.2540 8.4931 114.2827 54.2178 35.5678 177.8765 149 R 4.5273 8.4996 105.0100 57.8186 31.7241 169.0096 150 A 3.5977 8.3011 128.5441 52.8606 15.1906 178.5126 *151 Y 4.7224 7.5553 125.0427 56.1270 38.7449 177.4102 152 A 4.1805 8.1298 128.1424 55.8249 19.2167 180.6104 *153 H 4.3129 8.2473 113.7568 57.4991 28.3529 181.3239 *154 Y 4.2048 8.1674 117.4843 59.3976 36.9975 185.0000 155 R 3.1071 8.6750 118.7906 60.2454 30.7083 181.4757 *156 W 3.7866 8.0689 125.5755 56.1742 28.9556 175.9046 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 8.36 4.25 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 3 R 7.90 3.70 0.00 1.92 1.68 0.00 3.25 0.00 0.00 3.25 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 0.00 4 R 8.03 4.70 0.00 1.71 1.86 0.00 3.33 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.16 0.00 5 R 8.82 4.01 0.00 2.00 1.98 0.00 3.37 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 6 R 8.07 3.60 0.00 1.91 1.79 0.00 3.26 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.43 0.00 7 A 6.94 3.76 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 8 E 8.58 4.42 0.00 1.99 1.75 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 2.15 1.85 0.00 9 V 8.66 3.63 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 0.86 0.00 0.00 0.93 0.00 0.00 10 R 8.60 4.07 0.00 1.82 1.75 0.00 3.21 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 11 Q 8.56 4.52 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 7.02 0.00 0.00 0.00 0.00 0.00 2.20 1.90 0.00 12 L 8.44 4.37 0.00 1.66 1.50 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.37 4.45 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.89 0.00 0.00 0.00 0.00 0.00 2.23 1.91 0.00 14 P 0.00 4.35 0.00 2.08 1.91 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.62 0.00 15 D 8.66 4.69 0.00 2.60 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 16 L 8.44 4.51 0.00 1.64 1.59 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.85 4.35 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 0.89 0.00 0.00 0.93 0.00 0.00 *18 Y 7.51 4.61 0.00 2.25 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 0.00 0.00 0.00 19 G 8.20 4.36 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 0.00 0.00 0.00 20 D 8.02 4.40 0.00 2.57 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.18 2.65 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 0.65 0.00 0.00 0.93 0.00 0.00 22 L 7.92 3.92 0.00 1.66 1.66 0.92 0.83 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 23 V 8.38 3.88 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 0.71 0.00 0.00 0.93 0.00 0.00 24 T 8.26 4.19 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 25 A 7.92 4.46 1.36 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 0.00 0.00 *26 F 8.74 4.19 0.00 2.25 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.39 3.95 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 1.38 0.53 0.91 0.00 0.00 28 N 9.17 4.54 0.00 2.62 2.89 0.00 0.00 7.27 7.14 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 29 K 8.04 4.35 0.00 1.86 1.76 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 30 I 7.76 4.19 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 1.38 1.10 0.91 0.00 0.00 31 M 7.11 4.30 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.39 0.00 32 R 8.05 4.60 0.00 1.66 1.75 0.00 3.37 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.16 0.00 33 D 9.80 4.43 0.00 2.83 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 3.83 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 0.00 0.00 0.00 35 K 7.96 4.40 0.00 1.63 1.72 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 0.96 7.81 36 K 9.33 3.72 0.00 1.76 1.94 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.00 7.81 37 N 8.09 3.92 0.00 2.75 2.73 0.00 0.00 6.67 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 38 L 8.23 4.30 0.00 1.68 1.71 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.08 4.22 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 9.29 4.00 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 41 R 8.89 3.95 0.00 1.78 1.97 0.00 3.30 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 42 I 7.89 4.02 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 1.38 0.53 0.91 0.00 0.00 *43 F 7.96 4.32 0.00 2.23 2.32 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 0.00 *44 Y 7.96 4.25 0.00 2.41 2.24 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 45 D 9.81 4.63 0.00 2.68 2.67 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 0.00 0.00 0.00 0.00 46 A 8.57 4.53 1.43 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 47 C 8.38 4.36 0.00 2.85 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 48 K 8.65 4.33 0.00 1.70 1.83 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 49 I 7.93 3.57 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 1.27 0.53 0.91 0.00 0.00 50 I 7.26 4.24 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 1.16 1.15 0.91 0.00 0.00 51 Q 8.83 4.27 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.17 0.00 52 E 8.15 4.01 0.00 1.88 1.74 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 2.28 1.86 0.00 53 K 5.93 4.04 0.00 1.88 1.80 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.41 1.31 7.81 54 T 8.30 4.81 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 55 G 8.77 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 56 Q 8.18 3.98 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.86 0.00 0.00 0.00 0.00 0.00 2.29 1.95 0.00 57 E 8.95 4.15 0.00 1.88 1.89 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 2.32 1.91 0.00 58 P 0.00 4.48 0.00 2.07 2.08 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.65 0.00 59 L 7.98 4.25 0.00 1.64 1.70 0.92 1.02 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 60 K 8.26 4.18 0.00 1.75 1.86 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.09 7.81 61 V 7.43 3.96 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 0.90 0.00 0.00 0.93 0.00 0.00 *62 F 8.18 4.42 0.00 2.32 2.24 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 63 K 8.79 4.05 0.00 1.66 1.88 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.29 7.81 64 Q 8.16 4.41 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.17 0.00 65 A 8.44 4.51 1.43 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 66 V 7.96 3.54 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 0.73 0.00 0.00 0.93 0.00 0.00 67 E 7.76 3.74 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.15 0.00 68 N 7.65 4.60 0.00 2.63 2.75 0.00 0.00 6.85 7.55 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 69 V 8.91 3.92 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 0.83 0.00 0.00 0.93 0.00 0.00 70 K 6.96 4.69 0.00 1.80 1.63 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.35 1.06 7.81 71 P 0.00 4.67 0.00 2.08 1.85 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.58 0.00 72 R 8.38 4.65 0.00 1.79 1.80 0.00 3.27 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.15 0.00 73 M 7.50 5.05 0.00 1.98 1.80 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.08 0.00 74 E 8.86 4.68 0.00 1.57 1.65 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 2.12 2.10 0.00 75 V 8.08 5.13 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 1.13 0.00 0.00 0.93 0.00 0.00 76 R 8.32 4.27 0.00 1.59 1.80 0.00 3.26 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 77 S 8.62 5.01 0.00 3.38 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 78 R 8.51 4.62 0.00 1.44 1.77 0.00 3.18 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 79 R 8.29 4.93 0.00 1.47 1.84 0.00 3.22 0.00 0.00 3.37 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.17 0.00 80 V 7.83 3.69 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 0.88 0.00 0.00 0.93 0.00 0.00 81 G 8.59 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.00 4.15 0.00 1.64 1.72 0.92 0.75 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 0.00 100 A 8.77 3.91 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 0.00 101 L 8.26 3.99 0.00 1.69 1.71 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.77 4.16 0.00 1.93 1.90 0.00 3.28 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 *103 W 9.19 4.43 0.00 2.36 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.43 4.08 0.00 1.66 1.69 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.27 4.05 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 0.71 0.00 0.00 0.93 0.00 0.00 106 Q 8.66 4.39 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 107 A 7.87 4.14 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.76 3.96 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 0.00 109 N 8.29 4.41 0.00 2.79 2.77 0.00 0.00 7.11 8.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 7.95 4.45 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 111 R 7.80 4.32 0.00 1.79 1.79 0.00 3.23 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 112 P 0.00 4.44 0.00 2.08 1.98 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.58 0.00 113 E 7.75 3.93 0.00 1.98 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.93 0.00 114 R 8.50 4.59 0.00 1.82 1.82 0.00 3.17 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 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123 E 7.92 4.02 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 124 L 8.01 4.39 0.00 1.67 1.66 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 125 M 8.67 4.23 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 126 D 9.25 4.63 0.00 2.51 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 0.00 127 A 8.82 4.44 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 0.00 128 A 7.76 4.59 1.32 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 0.00 0.00 0.00 129 E 8.06 4.60 0.00 1.90 1.76 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 2.16 2.13 0.00 130 G 8.81 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.35 4.59 0.00 1.75 1.52 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.28 1.25 7.81 132 G 8.95 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.70 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.18 4.13 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 0.00 135 V 7.87 3.67 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 0.80 0.00 0.00 0.93 0.00 0.00 136 K 8.39 4.14 0.00 1.73 1.87 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.35 7.81 137 K 7.95 4.27 0.00 1.70 1.85 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 138 K 8.08 4.30 0.00 1.71 1.86 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.33 7.81 139 E 8.02 4.23 0.00 2.06 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 2.23 1.94 0.00 140 D 8.19 4.80 0.00 2.70 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 0.00 141 V 8.18 4.26 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 0.71 0.00 0.00 0.93 0.00 0.00 142 E 7.86 4.14 0.00 2.02 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 2.27 2.17 0.00 143 R 8.84 4.31 0.00 1.68 1.95 0.00 3.24 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.43 0.00 144 M 7.46 4.31 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.36 0.00 145 A 8.07 4.67 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 0.00 146 E 8.10 4.47 0.00 1.99 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 2.16 1.86 0.00 147 A 8.43 5.34 1.32 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 0.00 0.00 0.00 148 N 8.49 4.25 0.00 2.93 2.68 0.00 0.00 6.38 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 0.00 149 R 8.50 4.53 0.00 1.76 1.70 0.00 3.31 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.07 0.00 150 A 8.30 3.60 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 *151 Y 7.56 4.72 0.00 2.20 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 0.00 0.00 0.00 0.00 152 A 8.13 4.18 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *153 H 8.25 4.31 0.00 2.94 3.00 0.00 7.20 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *154 Y 8.17 4.20 0.00 2.25 2.29 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 0.00 155 R 8.68 3.11 0.00 1.93 2.18 0.00 3.27 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.46 0.00 *156 W 8.07 3.79 0.00 2.66 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.