NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.1622 8.1733 120.0885 55.9735 34.5519 177.5925 9 Q 3.5068 7.1438 118.6003 58.2490 29.2124 174.4496 10 V 3.7220 8.7156 117.6670 66.0481 32.6663 177.6698 11 K 3.9134 8.0094 117.7983 59.6421 32.0002 178.9503 12 I 3.7644 7.4563 112.4446 64.4100 37.2036 178.2120 13 Q 3.8646 7.9506 119.0740 58.9386 28.6217 178.3436 14 D 4.3968 8.4409 119.7881 57.0688 40.8548 178.7464 15 A 4.0329 7.9710 121.4493 54.8183 18.4523 179.7044 16 V 3.4930 7.7345 116.6621 66.0272 31.5136 178.0077 17 A 3.9076 8.0624 120.0922 55.3411 18.3842 179.4045 18 A 4.0005 8.0049 119.0039 55.2962 18.3449 180.0359 19 I 3.6285 7.6948 117.9498 64.6052 37.2299 178.4738 20 I 3.7246 8.1851 120.9482 64.6037 36.7524 178.3586 21 L 3.9658 8.1312 118.4324 57.6478 41.5090 178.9157 22 A 4.3703 7.6869 118.9860 53.4965 19.2713 177.6949 23 E 4.4188 8.7048 113.0655 55.0184 31.7621 177.0433 24 G 4.0892 8.2311 104.9835 44.4320 0.0000 173.0120 25 P 4.2153 0.0000 0.0000 65.3108 31.4023 178.9491 26 A 4.0903 7.9793 119.5457 54.0840 18.5029 178.3169 27 G 3.7534 7.7724 104.2168 46.9965 0.0000 174.9580 28 V 3.6294 7.1823 120.5442 63.3702 32.0010 175.6867 29 S 4.6764 8.2907 120.1032 56.1115 67.0191 175.1341 30 T 3.8696 8.5495 119.1614 67.4197 68.1134 176.3472 31 T 4.6248 7.9659 118.0074 66.2703 68.5273 176.2729 32 K 3.9365 7.7575 119.6209 59.3860 32.3567 179.0511 33 V 3.5748 7.9055 118.4400 65.8814 31.4422 177.5199 34 A 4.0174 8.3510 120.8152 55.3305 18.0021 179.5235 35 K 3.8975 8.2087 117.9758 60.4912 32.3301 179.9649 36 R 4.0932 8.2253 119.5267 61.4855 29.2749 180.6195 37 V 4.0115 7.4630 117.4860 66.1334 31.9172 178.3643 38 G 4.1992 8.4047 109.8473 46.9710 0.0000 173.6414 39 I 4.5148 7.5697 116.7143 56.9755 39.1460 177.1958 40 A 4.3366 8.0837 119.8690 53.2434 18.7034 178.4373 41 Q 3.9387 8.9182 121.1371 59.5621 28.0805 179.0896 42 S 4.3454 7.9882 109.8256 59.5120 62.9273 175.2377 43 N 4.4537 8.0337 117.9014 57.0401 38.2030 177.2454 44 V 3.7731 7.7115 121.4657 66.9223 30.2418 177.9987 *45 Y 4.3009 7.2230 122.1278 61.5566 36.3186 180.5488 46 L 4.1054 6.9832 118.4113 56.9063 41.5774 177.6138 47 Y 4.0905 6.2725 113.0563 58.6443 39.0492 176.0156 48 F 4.7720 8.2467 121.8512 56.6261 41.5467 175.7464 49 K 4.3137 8.8509 126.9386 54.8167 32.1734 172.5988 50 N 4.4156 7.5975 116.9453 52.9035 39.8062 175.9345 51 K 3.9605 8.3965 122.0388 60.1857 31.6164 174.9946 52 Q 4.1006 8.0616 120.4827 58.8395 29.0634 177.8556 53 A 4.0662 7.9530 121.6584 55.2502 18.4418 179.2362 54 L 3.4012 7.7237 116.7827 58.0798 41.7037 179.6995 55 I 3.6429 7.6362 119.1473 64.7983 37.0606 178.1174 56 D 4.4775 8.4934 119.8575 57.4692 40.5189 179.1209 57 S 4.0556 7.8753 113.4609 61.4863 62.3914 176.3914 58 V 3.5488 7.5655 120.8961 66.0342 31.2579 177.1490 59 Y 4.0056 8.4934 119.5676 60.6221 38.4632 178.2286 60 A 3.9459 8.2559 123.1306 54.5666 18.3505 179.2429 61 R 3.8154 7.9809 116.2420 59.8866 29.9270 178.2300 62 E 4.1472 8.4299 118.5743 59.5884 28.9908 179.4685 63 T 3.7169 7.5920 109.8154 64.8560 68.5590 176.1919 64 N 4.4302 8.1495 118.0142 55.2341 38.5936 177.0895 65 R 4.0593 7.3950 118.9648 58.2738 30.2152 178.1402 66 I 2.6943 6.8769 119.1271 63.2904 37.2350 175.9927 67 L 4.8955 7.5983 117.7792 51.5277 43.9566 177.3423 68 S 4.4006 8.6509 118.5069 58.0143 65.2771 175.0764 69 T 3.8281 8.3443 115.2111 65.5476 66.8565 175.8161 70 T 3.8487 7.8367 117.0358 66.8154 68.1012 175.9432 71 D 4.3736 7.8920 120.2591 57.4991 40.9281 178.9168 72 L 4.0088 8.0040 120.6376 57.9995 41.8730 178.3662 73 D 4.3207 7.9499 117.0310 57.6034 41.3648 178.2617 74 R 4.0530 8.3467 118.8726 59.1077 29.8081 178.7814 75 L 4.0443 7.8434 119.5435 57.4418 42.1930 178.2380 76 S 4.6189 7.5520 111.6681 58.4518 63.8349 174.4970 77 D 4.5058 7.7281 123.2894 53.6942 40.5948 176.0894 78 S 4.2129 8.6933 124.2073 61.5381 63.1299 176.6049 79 T 4.0200 7.6960 109.6007 63.7391 68.8213 174.7862 80 I 4.1251 7.4717 124.0726 59.9611 38.0973 176.1076 81 D 4.5591 8.5180 125.2565 53.5463 41.2185 177.9660 82 V 3.6940 8.3558 114.4907 64.7938 31.5901 178.9864 83 T 3.8630 8.0121 115.0847 67.0358 68.3438 176.5194 84 T 3.7727 8.0306 117.4348 66.7796 68.4310 177.0371 85 R 3.9519 8.0633 119.9617 59.0641 30.0062 179.1584 86 I 3.8564 8.2373 120.2277 64.3121 37.0588 178.3528 87 R 3.5050 7.8086 119.4314 59.3958 30.0284 178.3891 88 L 3.8082 7.9270 118.7852 57.8886 41.5824 178.9512 89 Y 4.1232 8.2076 119.3150 60.8212 38.8092 178.3245 90 V 3.3159 7.9984 119.1796 65.8589 31.5898 177.4142 91 Q 2.8902 7.9882 119.5358 59.2509 28.6064 178.8430 92 Q 3.9080 7.7167 118.3698 58.7418 28.6612 178.7161 93 V 3.4317 7.5219 119.3329 65.9730 31.4863 177.4262 94 Y 4.0008 8.3380 119.5308 60.9319 38.5895 177.7533 95 D 4.3992 8.5434 120.1862 57.5082 40.9238 178.1980 96 Y 4.0139 8.2369 120.1520 60.6767 38.9212 178.0855 97 S 3.8602 8.2778 114.1299 61.4376 62.3209 176.1420 98 L 3.9065 7.4902 120.0109 57.5317 41.3407 178.9543 99 A 4.2010 7.4198 119.5352 53.1160 20.1357 177.3421 100 N 4.7606 7.3591 114.5950 51.0031 38.7224 173.2402 101 P 4.5609 0.0000 0.0000 63.3080 32.4462 177.6450 102 D 4.6614 7.7424 118.5572 55.3523 42.1014 178.3141 103 S 4.3416 8.0332 115.6208 61.0368 62.1492 176.1947 104 L 4.1025 7.9652 120.9026 57.8857 41.2747 179.5944 105 T 3.8511 7.8695 115.4550 66.5528 68.4902 176.3585 106 I 3.7191 7.9217 121.7033 64.5259 37.1683 178.5924 107 I 3.8635 8.0409 120.5464 64.6200 37.0297 178.3425 108 Q 4.0396 10.0302 118.4938 59.2227 28.5659 179.2992 109 Q 4.0178 8.3624 118.9413 59.1953 28.8177 179.0701 110 I 3.7204 7.8583 120.6894 64.1643 36.8814 178.5335 111 K 3.7794 8.0295 118.2394 59.6003 32.0244 178.7892 112 A 4.1010 7.8636 119.4141 55.0504 18.2366 179.1012 113 L 4.0675 7.7429 118.1499 58.5099 42.7817 179.2662 114 N 4.6950 8.6252 120.9118 53.1639 39.7488 175.1230 *127 P 4.4188 0.0000 0.0000 62.3477 32.9909 175.4708 128 N 4.7973 8.2395 112.2923 51.3876 37.8047 177.3873 129 N 4.2590 8.1926 114.7413 54.6988 36.7936 176.5820 130 I 3.6365 7.8758 119.5751 64.6220 37.4595 177.9426 131 V 3.2762 7.6155 117.9845 65.7912 31.4365 177.4476 132 A 3.9811 7.9635 120.0169 55.5717 18.2047 179.1750 133 N 4.3480 8.4885 116.4738 55.7601 38.5669 177.4901 134 L 3.9795 7.8557 121.8103 58.0337 42.1157 179.0296 135 L 4.0514 7.9888 119.3042 57.9861 41.1785 179.6093 136 T 3.8666 8.2060 109.6934 64.5802 68.7180 176.4313 137 A 4.0331 8.1267 123.4654 55.0739 18.3338 179.5175 138 A 4.0424 8.1034 119.1826 55.0842 18.4175 179.9934 139 I 3.7954 8.0348 118.6108 64.8438 37.0423 178.3359 140 D 4.3793 8.1721 118.2215 57.1436 40.7372 177.9804 141 A 4.2967 7.9256 118.1966 51.5271 18.7391 177.4859 142 K 3.8638 7.8196 115.6256 57.3993 30.5167 177.4066 143 V 3.8290 8.1689 121.7540 64.7372 31.7085 175.9265 144 I 4.6737 7.2126 110.1757 58.1022 40.1469 175.0241 145 K 4.4038 8.1456 119.5995 56.0295 32.4128 178.8012 146 Q 4.3971 8.3482 121.9849 55.7138 26.2447 175.2663 147 L 4.8963 7.5528 119.6252 51.4350 46.3436 174.8132 148 P 4.2940 0.0000 0.0000 62.9251 31.5423 177.6160 149 V 3.7000 8.8153 122.3782 66.2351 31.4856 178.2117 150 S 4.2668 8.1436 112.6682 61.2668 63.2214 175.5175 151 L 4.1428 8.0365 121.2371 58.0362 41.5399 179.0852 152 H 4.2062 8.0192 111.3075 56.8034 28.2971 177.3214 *154 G 4.0093 8.2345 110.7560 45.6817 0.0000 176.3182 155 V 3.7875 7.8002 120.9691 64.1198 31.4140 178.5757 156 V 3.6586 7.8011 119.0031 66.0805 31.3955 178.1443 157 F 4.0153 8.4236 117.2079 60.4852 38.8448 177.8581 158 S 4.2823 8.8015 114.4870 61.6696 62.8952 176.6774 159 T 3.8898 7.9394 119.0111 66.5681 68.2440 176.7011 160 I 3.8374 7.6896 121.1960 64.5518 36.9947 178.0601 161 H 4.2550 8.6768 119.3806 59.7129 29.7118 177.3528 162 T 3.7951 8.2438 117.8703 66.9323 68.1706 176.0971 163 H 4.4115 8.1934 121.2716 59.0076 29.9167 177.3320 164 T 3.7324 8.0326 117.8584 67.0205 68.3503 176.7442 165 T 3.9799 8.0567 113.0732 63.9899 68.8192 176.3304 166 N 4.1064 8.3842 119.8394 56.2062 38.5581 177.3047 167 I 3.5966 7.6409 121.3774 64.3684 37.0772 178.7353 168 S 4.1185 8.1111 115.0690 61.0832 62.5564 175.8208 169 K 4.2787 7.9347 119.5815 56.0710 31.9993 177.4011 170 G 3.8513 7.7308 107.3442 46.3229 0.0000 175.4537 171 R 4.0014 7.7851 121.6018 58.7757 30.4532 176.2480 172 Y 4.7529 6.7212 113.1801 55.5099 40.7806 173.5321 173 A 4.3697 8.4639 122.9875 51.8392 19.0866 178.5732 174 Q 4.1010 8.7197 121.5197 58.8559 29.2332 177.0029 175 D 4.7944 7.9844 114.8743 53.1816 40.0038 176.9286 176 Q 3.8478 8.1843 122.4377 58.9454 29.1077 175.8860 177 Y 4.9120 7.6797 112.9253 56.2283 41.0491 175.1719 178 T 4.6195 8.6213 112.6890 60.1346 71.1059 175.6800 179 F 3.5218 8.9285 123.6005 61.2335 39.1785 176.9818 180 G 3.8309 8.1777 104.7695 48.2414 0.0000 175.0811 181 D 4.3336 7.6899 119.9367 57.0446 40.9495 178.7421 182 I 3.7742 7.1822 118.7061 64.2378 37.4170 177.8037 183 F 4.1566 8.2938 122.0604 61.0575 38.8990 177.3351 184 Q 3.9676 7.6432 116.4193 56.6618 28.7654 178.0157 *186 I 4.0443 7.6900 120.0712 60.6350 39.0800 177.9474 187 W 4.1816 8.0743 128.9279 60.3076 30.6869 176.8640 188 D 4.1468 7.9838 117.4023 57.3133 40.2159 177.8367 189 A 3.8483 7.1908 116.9566 53.3669 18.2045 177.0723 *191 K 3.6040 7.6581 115.2463 56.5228 33.2617 175.4237 192 Q 3.8667 8.0862 122.0605 57.2648 29.6112 176.0735 193 D 4.8550 8.6679 123.6586 54.7066 40.2984 174.1841 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 8 K 8.17 4.16 0.00 1.67 1.73 0.00 1.56 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.55 7.81 9 Q 7.14 3.51 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.88 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 10 V 8.72 3.72 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 1.19 0.00 0.00 0.92 0.00 0.00 11 K 8.01 3.91 0.00 1.88 1.85 0.00 1.61 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.56 7.81 12 I 7.46 3.76 2.03 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.92 1.09 0.00 0.00 13 Q 7.95 3.86 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.55 0.00 14 D 8.44 4.40 0.00 2.79 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 15 A 7.97 4.03 1.39 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 0.00 0.00 16 V 7.73 3.49 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 0.82 0.00 0.00 0.88 0.00 0.00 17 A 8.06 3.91 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 18 A 8.00 4.00 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 19 I 7.69 3.63 2.03 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 1.52 0.80 0.98 0.00 0.00 20 I 8.19 3.72 2.00 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 1.52 0.71 0.93 0.00 0.00 21 L 8.13 3.97 0.00 1.76 1.74 0.97 0.70 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 22 A 7.69 4.37 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 23 E 8.70 4.42 0.00 1.99 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 2.23 2.21 0.00 24 G 8.23 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.22 0.00 2.18 2.10 0.00 3.60 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 2.11 2.09 0.00 26 A 7.98 4.09 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 27 G 7.77 3.75 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 0.00 0.00 0.00 28 V 7.18 3.63 2.27 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 0.79 0.00 0.00 0.95 0.00 0.00 29 S 8.29 4.68 0.00 4.04 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 30 T 8.55 3.87 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 1.30 0.00 0.00 31 T 7.97 4.62 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 32 K 7.76 3.94 0.00 1.88 1.81 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.45 7.81 33 V 7.91 3.57 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 1.00 0.00 0.00 0.97 0.00 0.00 34 A 8.35 4.02 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.21 3.90 0.00 1.74 1.91 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.77 1.62 7.81 36 R 8.23 4.09 0.00 1.85 1.86 0.00 3.26 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 37 V 7.46 4.01 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 0.99 0.00 0.00 0.99 0.00 0.00 38 G 8.40 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 0.00 0.00 0.00 0.00 39 I 7.57 4.51 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 1.35 0.86 0.91 0.00 0.00 40 A 8.08 4.34 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 Q 8.92 3.94 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 42 S 7.99 4.35 0.00 3.88 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 43 N 8.03 4.45 0.00 3.08 2.96 0.00 0.00 6.51 8.95 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 44 V 7.71 3.77 2.34 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 1.22 0.00 0.00 1.05 0.00 0.00 *45 Y 7.22 4.30 0.00 2.54 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 46 L 6.98 4.11 0.00 1.13 1.02 0.82 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 6.27 4.09 0.00 1.78 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 0.00 0.00 0.00 48 F 8.25 4.77 0.00 3.11 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 49 K 8.85 4.31 0.00 1.78 1.70 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 0.99 7.81 50 N 7.60 4.42 0.00 2.82 2.95 0.00 0.00 6.33 6.43 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 51 K 8.40 3.96 0.00 1.78 1.86 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.07 7.81 52 Q 8.06 4.10 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.68 0.00 53 A 7.95 4.07 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 54 L 7.72 3.40 0.00 1.87 1.60 0.94 0.72 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 55 I 7.64 3.64 1.95 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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 0.82 0.90 0.00 0.00 81 D 8.52 4.56 0.00 2.89 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 82 V 8.36 3.69 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 0.84 0.00 0.00 1.01 0.00 0.00 83 T 8.01 3.86 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 1.06 0.00 0.00 84 T 8.03 3.77 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 1.16 0.00 0.00 85 R 8.06 3.95 0.00 1.89 1.99 0.00 3.27 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 86 I 8.24 3.86 2.14 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 1.57 0.80 1.29 0.00 0.00 87 R 7.81 3.50 0.00 1.56 1.86 0.00 2.92 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.78 0.00 88 L 7.93 3.81 0.00 1.72 1.66 0.89 0.55 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 142 K 7.82 3.86 0.00 1.94 1.93 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.51 7.81 143 V 8.17 3.83 2.30 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 1.23 0.00 0.00 1.01 0.00 0.00 144 I 7.21 4.67 1.71 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.72 0.89 0.00 0.00 145 K 8.15 4.40 0.00 1.79 1.77 0.00 1.86 0.00 0.00 2.30 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.47 7.81 146 Q 8.35 4.40 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 147 L 7.55 4.90 0.00 1.49 1.44 0.84 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 148 P 0.00 4.29 0.00 2.18 2.00 0.00 3.61 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 2.11 2.09 0.00 149 V 8.82 3.70 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 1.06 0.00 0.00 0.96 0.00 0.00 150 S 8.14 4.27 0.00 4.03 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 0.00 151 L 8.04 4.14 0.00 1.85 1.70 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 152 H 8.02 4.21 0.00 3.55 3.41 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *154 G 8.23 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 V 7.80 3.79 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 0.91 0.00 0.00 0.95 0.00 0.00 156 V 7.80 3.66 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.24 0.00 0.00 157 F 8.42 4.02 0.00 3.19 3.34 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 0.00 158 S 8.80 4.28 0.00 4.09 4.23 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 0.00 159 T 7.94 3.89 4.37 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 1.23 0.00 0.00 160 I 7.69 3.84 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.74 0.90 0.00 0.00 161 H 8.68 4.26 0.00 3.39 3.53 0.00 5.62 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 0.00 162 T 8.24 3.80 4.41 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 1.23 0.00 0.00 163 H 8.19 4.41 0.00 3.39 3.55 0.00 5.84 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 0.00 164 T 8.03 3.73 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 1.18 0.00 0.00 165 T 8.06 3.98 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 1.10 0.00 0.00 166 N 8.38 4.11 0.00 2.72 2.15 0.00 0.00 6.93 7.10 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 0.00 167 I 7.64 3.60 1.84 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 1.60 0.90 0.88 0.00 0.00 168 S 8.11 4.12 0.00 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 169 K 7.93 4.28 0.00 1.79 1.82 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.40 7.81 170 G 7.73 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 0.00 0.00 0.00 0.00 171 R 7.79 4.00 0.00 1.45 1.94 0.00 3.36 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 172 Y 6.72 4.75 0.00 3.08 3.09 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 0.00 0.00 0.00 173 A 8.46 4.37 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 0.00 174 Q 8.72 4.10 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.11 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 175 D 7.98 4.79 0.00 2.84 2.77 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 0.00 176 Q 8.18 3.85 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.70 0.00 0.00 0.00 0.00 0.00 1.83 1.16 0.00 177 Y 7.68 4.91 0.00 3.06 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 0.00 178 T 8.62 4.62 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 0.00 179 F 8.93 3.52 0.00 2.50 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 0.00 180 G 8.18 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 0.00 181 D 7.69 4.33 0.00 2.92 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 0.00 182 I 7.18 3.77 1.83 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.78 0.98 0.00 0.00 183 F 8.29 4.16 0.00 1.51 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 Q 7.64 3.97 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.17 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 *186 I 7.69 4.04 1.83 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.80 1.06 0.00 0.00 187 W 8.07 4.18 0.00 1.78 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.98 4.15 0.00 2.69 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 0.00 189 A 7.19 3.85 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 *191 K 7.66 3.60 0.00 1.16 0.74 0.00 1.35 0.00 0.00 0.75 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.80 1.05 7.81 192 Q 8.09 3.87 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 5.65 0.00 0.00 0.00 0.00 0.00 2.48 2.33 0.00 193 D 8.67 4.85 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.