NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7938 8.3393 109.7370 45.5882 0.0000 174.1228 *2 T 4.0853 7.5294 107.7871 61.4547 69.7883 172.7829 3 T 4.5169 8.0453 116.5132 60.6963 68.8960 174.7215 4 E 4.1666 8.5652 125.0217 58.1539 30.4577 177.2764 5 N 4.7194 8.1076 119.5395 52.8549 37.4952 175.0527 6 T 4.6652 7.5849 104.6990 61.7723 71.0124 175.0712 7 T 5.1671 8.0706 118.3813 62.6557 70.1730 173.6910 8 A 5.0442 8.5774 128.1313 50.1543 21.8943 175.2710 9 L 4.0721 8.1268 124.3927 53.9960 43.6304 175.1566 10 L 4.9710 8.8065 128.8481 53.3850 44.5805 174.8286 11 L 4.8897 8.6168 127.7022 53.2988 43.8657 176.0042 12 I 4.2194 8.6800 126.7406 59.4601 38.2649 176.0481 13 D 4.6767 8.5254 130.7344 55.5247 39.0798 175.6268 14 F 5.1385 7.8085 118.3350 56.4880 38.1959 175.1420 15 Q 5.1035 7.9400 121.8606 53.7279 31.5301 176.6618 16 N 4.0072 8.7606 119.3714 56.7602 38.7780 177.2714 17 D 4.5986 8.7903 117.6520 57.1563 41.2103 177.8347 18 Y 5.0411 8.4414 115.3033 58.1277 38.5347 174.7081 19 F 4.9992 8.6912 120.7556 55.4264 40.2282 177.0591 20 S 4.2683 8.8240 121.1933 61.1092 63.0773 175.3351 21 T 4.1088 8.4326 109.9738 62.8780 69.0405 173.5262 22 Y 4.4638 8.4092 125.9846 55.9701 39.4206 173.9188 23 N 4.2608 8.1673 126.4771 55.1577 39.1900 174.5481 24 G 3.8128 8.9068 113.0329 45.4618 0.0000 172.7768 25 A 4.4408 7.8106 122.1945 53.1333 18.5413 178.5138 26 K 4.3519 8.8390 121.4998 56.4585 33.0010 177.1539 27 N 4.8533 7.8540 119.6900 51.3823 38.8394 172.5335 28 P 4.5581 0.0000 0.0000 63.3831 32.4923 177.4490 29 L 4.5178 8.6083 123.3591 52.9239 44.5621 175.7781 30 V 3.7046 8.3441 121.1139 62.7605 32.0455 176.0500 31 G 3.8796 8.8402 115.6262 47.0168 0.0000 175.1141 32 T 3.6689 7.7680 118.7779 66.1587 68.1716 176.1668 33 E 4.0790 8.0466 119.7247 59.4462 29.6082 179.0511 34 A 3.9657 7.9949 119.9380 55.0906 18.4176 179.2056 35 A 4.4696 8.4003 120.3714 54.9120 18.4525 179.7562 36 A 3.0505 8.3430 119.5740 54.8283 18.4715 179.3430 37 E 3.8507 8.4073 118.2898 59.6738 29.6835 179.2428 38 Q 4.1115 8.1821 118.1450 58.8190 28.8013 178.7478 39 G 3.6714 8.3542 106.7971 47.7953 0.0000 175.4875 40 A 3.9793 8.2993 123.5992 54.6143 18.4962 179.3927 41 K 3.8126 7.8945 117.7529 59.8956 32.2711 178.9480 42 L 4.1157 7.9609 118.9978 57.6724 41.6757 179.0328 43 L 3.9442 8.4488 120.4359 58.3657 41.9145 179.0660 44 A 4.0480 8.2488 120.5553 54.8717 18.3004 179.4914 45 K 3.8869 8.0451 117.7526 59.7199 32.1744 179.0556 46 F 3.8603 8.5427 117.9771 60.7036 38.6436 177.9778 47 R 4.0114 7.8581 116.0728 59.2170 29.9186 178.4632 48 Q 4.0992 8.1460 118.6761 59.6306 29.3571 176.8857 49 Q 4.5578 8.0629 117.9374 54.4751 32.4433 175.5434 50 G 3.8676 8.3061 108.3820 46.7151 0.0000 174.1119 51 L 4.3324 7.2767 120.1414 53.7526 42.6006 175.4371 52 P 4.4681 0.0000 0.0000 62.9832 32.6070 175.4294 53 V 4.6282 8.3796 123.0562 61.0481 34.1452 174.5775 54 V 4.5629 8.9948 127.6582 61.4051 34.6073 173.8284 55 H 5.3220 9.0532 124.1558 54.0988 31.8540 173.5925 56 V 4.8033 8.6973 120.8098 61.1882 34.9595 174.3189 57 R 4.9573 8.9134 126.4319 53.8741 33.7633 172.8164 58 H 5.1996 8.9950 125.9092 54.4817 31.7240 173.5168 59 E 5.0606 8.3571 123.8802 53.4366 33.1870 175.0087 60 F 4.4609 9.0878 126.9913 57.1571 37.9387 178.5419 *62 T 4.0668 8.6616 126.8475 63.5497 67.5586 174.2296 63 D 4.6229 8.6873 125.4595 54.8575 40.2817 175.5987 64 E 4.5364 7.8115 115.1843 56.5097 29.7632 176.0070 65 A 3.8247 7.2217 121.2417 51.7976 18.8113 176.9332 66 P 4.3144 0.0000 0.0000 65.3359 31.7802 176.0303 67 F 4.6191 6.9802 110.9736 55.8605 40.9159 172.9840 68 F 4.2009 9.3286 117.1705 58.6068 37.0135 176.2807 69 L 4.3856 7.5965 119.9094 53.8779 42.5976 175.6072 70 P 4.6390 0.0000 0.0000 63.9618 31.7448 176.9654 71 G 3.9370 8.9952 110.6039 45.3762 0.0000 173.7169 72 S 4.5464 7.6750 114.3652 57.3855 64.3289 175.2355 73 D 4.4006 8.7208 121.2892 57.3580 41.0779 178.9731 74 G 3.7974 7.9267 106.1753 48.4706 0.0000 175.0217 75 A 4.4541 7.7839 120.4184 51.9058 19.5365 177.8939 76 K 4.1764 7.8225 116.5186 55.5319 33.6149 177.0753 77 I 4.0707 8.1118 124.2933 61.3852 38.0377 175.8141 78 H 4.3209 8.9640 124.5741 54.9105 30.1833 174.7043 79 P 4.2690 0.0000 0.0000 65.1225 31.3941 178.0737 80 S 4.2916 7.9577 111.9912 60.6661 62.9338 174.7593 81 V 4.4469 7.4071 113.5154 60.5525 32.6224 175.6957 82 A 4.0094 8.0861 121.3926 51.9546 18.8860 178.3058 83 A 4.2554 8.0986 123.2284 52.0658 19.5046 176.7591 84 Q 4.7040 8.4402 117.7393 53.2976 32.2639 175.2424 85 E 4.1373 8.4328 120.1619 57.8594 30.1623 175.5692 86 G 4.0697 9.0389 112.4463 45.3094 0.0000 173.2755 87 E 4.4557 7.6566 118.8865 54.9124 30.0728 176.9288 88 A 4.1775 8.6860 127.0371 51.9589 20.0485 176.0044 89 V 4.6278 8.2295 120.2416 61.1267 33.9652 174.7773 90 V 4.1430 8.9925 129.1758 61.4429 33.1221 174.1257 91 L 4.9199 8.3834 130.3810 53.7213 43.1584 175.4320 92 K 4.5870 8.9196 124.9910 55.4252 36.1626 176.2705 93 H 4.6637 8.6249 114.9469 55.2147 30.4689 173.0297 94 Q 4.7125 7.5276 117.2789 53.5620 32.2160 175.8930 95 I 3.7499 8.3215 119.4460 64.5612 37.4404 176.8077 96 N 4.4595 7.9887 119.4348 53.5241 39.0863 175.6902 97 S 4.2015 8.5870 121.6223 60.6030 63.2014 175.0506 98 F 4.3203 8.5395 118.3005 58.3084 39.0082 175.7618 99 R 4.0892 8.0187 122.8631 56.7142 29.9814 175.6820 100 D 4.8760 8.9256 123.8877 55.2409 38.5638 172.9390 101 T 4.5821 7.2103 108.1180 60.2011 71.4317 173.9191 102 D 4.7852 8.2399 118.0171 54.1606 40.8912 178.1095 103 L 3.8176 7.7817 124.1017 58.1773 41.8796 178.9143 104 K 4.2450 8.3554 121.2997 60.2200 32.1019 178.9596 105 K 3.8884 8.1794 122.4187 60.0401 31.8264 180.5276 106 V 3.9454 8.2094 119.7241 65.9310 31.3865 178.1006 107 L 4.0241 8.3565 118.9360 58.0481 41.3488 179.3036 108 D 4.5863 8.9916 117.8971 56.7516 40.7558 177.8732 109 D 4.5731 7.8552 118.5897 57.0063 41.1082 177.0927 110 A 4.0878 7.8523 121.1909 52.8167 18.9457 176.8001 *112 I 4.1738 6.9739 117.2064 60.6762 39.0872 175.8655 113 K 4.6855 9.3113 122.8564 56.7645 35.4853 176.0384 114 K 5.3124 8.1101 117.0009 54.6698 37.0652 175.3118 115 L 5.1962 8.9696 120.1555 53.1955 46.4836 175.7587 116 V 4.6993 8.7478 122.6138 61.2766 34.0866 174.1018 117 I 4.9084 8.5788 128.9923 59.7749 39.5488 175.3326 118 V 4.5501 8.9717 118.8641 59.9290 36.4775 173.3533 119 G 2.8456 7.6771 106.6938 43.9057 0.0000 173.6866 120 A 4.4024 8.0557 126.4264 51.5914 22.6571 176.1142 *122 T 4.2900 8.7029 120.0264 63.8448 70.3192 175.6658 123 H 2.8684 7.5073 114.0713 55.4114 29.3859 176.4551 *126 I 4.0953 7.9080 121.9949 62.6015 39.2626 177.5599 127 D 4.2781 7.8415 118.3957 57.3631 40.9694 178.2523 128 A 3.9412 7.8496 120.7267 55.2605 18.4203 179.8837 129 V 3.7481 7.6593 117.2003 65.1183 31.5592 178.6055 130 T 3.8657 8.0496 116.4590 66.5952 68.3143 176.9779 131 R 3.5060 7.7841 119.7393 58.8583 29.9660 179.0044 132 A 3.9537 8.2041 120.5015 54.9496 18.4308 179.6066 133 A 3.9542 8.4580 119.6065 55.3525 18.6089 179.3874 134 E 4.3706 8.4010 119.3323 59.2428 29.5373 178.8360 135 D 4.4561 8.0527 117.5522 57.1868 40.9221 178.2933 136 L 4.1444 7.6237 118.2615 55.1419 41.8356 177.3584 137 G 3.8594 7.4461 104.9243 45.1524 0.0000 173.8164 138 Y 4.5640 7.9938 118.8064 57.7605 39.5311 174.6808 139 E 4.4223 8.8271 122.8511 56.2980 30.9860 175.4973 140 C 5.4195 8.8859 121.2728 57.9543 31.7783 172.7095 141 A 5.2267 9.0031 122.9808 50.3445 22.9759 175.1349 142 V 4.6929 8.7279 118.5321 61.0875 35.2172 174.4788 143 A 4.7516 8.7509 130.8350 51.1598 18.4713 177.6713 144 H 4.2356 8.8772 119.2288 59.0217 29.0365 176.4647 145 D 4.6360 7.8936 117.3984 53.6692 39.8953 176.4803 146 A 5.2679 8.0977 121.7489 52.1527 20.2442 175.7972 147 C 5.9232 8.4431 113.8528 58.5573 32.0672 173.2331 148 A 4.6032 8.1340 120.4872 51.2037 22.0933 176.1068 149 T 4.1595 7.8594 112.8450 61.1466 69.5389 171.7033 150 L 4.9861 7.8361 119.1451 54.3403 44.0828 175.3753 151 D 4.7299 8.5752 119.0458 54.4796 41.2984 176.2250 152 L 4.9083 8.7929 122.1544 52.8881 45.4434 175.0217 153 E 5.2332 8.6577 121.0036 54.6510 33.1573 175.0116 154 F 4.6722 9.6281 127.8403 58.0378 42.6520 173.9300 155 N 3.6935 9.4099 128.2445 54.4409 36.9439 174.4923 156 G 3.9334 8.5019 105.7686 45.0245 0.0000 173.3155 157 I 4.3286 8.0664 121.7101 59.9532 38.5387 174.3510 158 T 4.8746 8.4504 121.9957 61.9153 70.3171 173.9641 159 V 4.3207 8.9559 127.7434 60.3392 33.5306 173.5178 160 P 4.8102 0.0000 0.0000 62.3393 32.2590 177.2885 161 A 4.0508 9.6448 124.2027 55.6940 18.1840 180.3029 162 A 3.9350 7.9658 118.4929 55.2954 18.4578 179.5796 163 Q 4.0682 7.9898 116.0367 58.4395 29.0733 178.4198 164 V 3.6755 7.9010 119.4615 66.3410 31.3813 177.3584 165 H 4.1124 8.2225 116.2651 59.4257 29.7651 176.6183 166 A 4.1328 7.9457 120.7349 55.0570 18.4323 179.1519 167 A 4.1166 8.2040 119.2600 55.2455 18.3854 180.3540 168 F 4.2572 8.1821 114.0397 58.1703 39.0298 177.4523 *170 S 4.3002 8.0747 115.1638 58.3618 63.9890 175.6099 171 A 4.1377 8.1859 121.9639 55.2781 18.4244 178.8073 172 L 4.3164 8.3147 116.0940 57.5345 41.9663 177.8539 173 S 4.2799 7.5090 112.3698 59.3317 62.7413 174.2400 174 F 4.1380 8.2871 130.8793 59.1408 38.5656 176.6640 175 A 4.1244 8.1721 121.3675 54.6337 18.3647 177.6457 176 Y 4.7033 7.9361 109.6376 58.2740 40.8623 175.1663 177 A 4.8388 8.1064 119.4846 50.3275 23.5525 175.2842 178 N 4.4895 9.0302 119.1296 53.5043 39.8521 174.0695 179 V 4.7670 7.9802 126.9214 61.4308 33.0551 174.4874 180 A 4.7177 8.6174 128.3454 50.7748 23.4160 175.2314 181 S 4.3472 9.4027 113.9686 57.8039 63.4082 174.7089 182 A 4.0237 9.2812 129.2941 55.9063 18.0172 180.2284 183 D 4.3463 8.0572 116.4141 57.5761 40.7219 178.7731 184 E 4.0599 7.9867 117.7506 59.3813 29.7837 178.9158 185 L 4.2027 8.4128 119.5248 57.5281 41.4608 179.5513 186 I 3.6880 8.2670 119.2090 64.3827 37.2602 178.0783 187 A 4.2001 8.2821 120.2443 53.9797 18.2064 177.6167 188 G 3.6810 7.7212 110.4342 45.5379 0.0000 173.0725 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 G 8.34 3.79 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 0.00 0.00 0.00 *2 T 7.53 4.09 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 1.27 0.00 0.00 3 T 8.05 4.52 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 1.23 0.00 0.00 4 E 8.57 4.17 0.00 2.00 1.99 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 2.31 2.27 0.00 5 N 8.11 4.72 0.00 2.71 2.79 0.00 0.00 6.81 8.35 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 6 T 7.58 4.67 4.38 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 1.29 0.00 0.00 7 T 8.07 5.17 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 1.43 0.00 0.00 8 A 8.58 5.04 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 9 L 8.13 4.07 0.00 0.27 0.48 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.81 4.97 0.00 1.58 1.35 0.80 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.62 4.89 0.00 1.69 1.75 0.75 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.68 4.22 1.71 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.83 0.87 0.00 0.00 13 D 8.53 4.68 0.00 3.18 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.81 5.14 0.00 3.21 3.08 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 0.00 0.00 0.00 15 Q 7.94 5.10 0.00 1.74 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 16 N 8.76 4.01 0.00 2.44 1.42 0.00 0.00 7.09 8.40 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 17 D 8.79 4.60 0.00 2.78 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 18 Y 8.44 5.04 0.00 3.35 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 19 F 8.69 5.00 0.00 3.28 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.82 4.27 0.00 4.02 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 21 T 8.43 4.11 4.35 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 1.33 0.00 0.00 22 Y 8.41 4.46 0.00 3.11 3.29 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 23 N 8.17 4.26 0.00 2.52 2.39 0.00 0.00 7.31 7.98 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 24 G 8.91 3.81 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 0.00 0.00 0.00 25 A 7.81 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.84 4.35 0.00 1.75 2.03 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.60 7.81 27 N 7.85 4.85 0.00 2.01 2.12 0.00 0.00 6.82 6.99 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 28 P 0.00 4.56 0.00 2.12 2.11 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 29 L 8.61 4.52 0.00 1.27 1.62 0.08 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.34 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 0.67 0.00 0.00 0.87 0.00 0.00 31 G 8.84 3.88 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 0.00 0.00 0.00 32 T 7.77 3.67 3.52 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 0.11 0.00 0.00 33 E 8.05 4.08 0.00 2.10 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 2.54 2.74 0.00 34 A 7.99 3.97 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 35 A 8.40 4.47 1.47 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 0.00 0.00 36 A 8.34 3.05 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 37 E 8.41 3.85 0.00 2.17 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 2.31 2.36 0.00 38 Q 8.18 4.11 0.00 2.38 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 39 G 8.35 3.67 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 0.00 0.00 0.00 40 A 8.30 3.98 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 41 K 7.89 3.81 0.00 2.10 1.99 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.51 7.81 42 L 7.96 4.12 0.00 1.95 1.75 0.96 0.70 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 43 L 8.45 3.94 0.00 1.90 1.77 0.94 1.30 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 44 A 8.25 4.05 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 45 K 8.05 3.89 0.00 1.97 2.09 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.46 7.81 46 F 8.54 3.86 0.00 3.15 3.13 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 47 R 7.86 4.01 0.00 1.87 2.03 0.00 3.33 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.80 0.00 48 Q 8.15 4.10 0.00 2.19 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 49 Q 8.06 4.56 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 50 G 8.31 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.28 4.33 0.00 1.56 1.78 0.77 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 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2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *62 T 8.66 4.07 4.28 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 1.30 0.00 0.00 63 D 8.69 4.62 0.00 2.74 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 64 E 7.81 4.54 0.00 1.94 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 2.25 2.26 0.00 65 A 7.22 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.31 0.00 2.34 2.15 0.00 2.37 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.81 0.00 67 F 6.98 4.62 0.00 2.80 2.73 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 68 F 9.33 4.20 0.00 3.29 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 69 L 7.60 4.39 0.00 1.80 1.62 0.99 1.04 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 *122 T 8.70 4.29 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 1.13 0.00 0.00 123 H 7.51 2.87 0.00 2.29 2.61 0.00 5.56 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *126 I 7.91 4.10 1.91 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.69 0.84 0.00 0.00 127 D 7.84 4.28 0.00 2.93 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.85 3.94 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 0.00 129 V 7.66 3.75 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.83 0.00 0.00 130 T 8.05 3.87 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 131 R 7.78 3.51 0.00 1.66 1.68 0.00 2.92 0.00 0.00 2.86 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.25 0.00 132 A 8.20 3.95 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 0.00 133 A 8.46 3.95 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.40 4.37 0.00 2.33 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 2.42 2.71 0.00 135 D 8.05 4.46 0.00 2.95 2.73 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 0.00 136 L 7.62 4.14 0.00 1.77 1.57 0.05 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 137 G 7.45 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 0.00 138 Y 7.99 4.56 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 0.00 139 E 8.83 4.42 0.00 1.97 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 2.36 2.34 0.00 140 C 8.89 5.42 0.00 3.08 2.84 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 0.00 141 A 9.00 5.23 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 0.00 142 V 8.73 4.69 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 0.98 0.00 0.00 0.93 0.00 0.00 143 A 8.75 4.75 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 0.00 144 H 8.88 4.24 0.00 3.28 3.47 0.00 5.75 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 D 7.89 4.64 0.00 2.85 2.95 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 0.00 0.00 0.00 146 A 8.10 5.27 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 0.00 147 C 8.44 5.92 0.00 2.89 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 0.00 148 A 8.13 4.60 1.05 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 0.00 0.00 149 T 7.86 4.16 4.15 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 1.17 0.00 0.00 150 L 7.84 4.99 0.00 1.50 1.46 0.77 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 151 D 8.58 4.73 0.00 2.55 2.62 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 0.00 152 L 8.79 4.91 0.00 1.57 1.54 0.83 0.42 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 0.00 153 E 8.66 5.23 0.00 1.94 1.79 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 2.38 2.21 0.00 154 F 9.63 4.67 0.00 3.06 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 N 9.41 3.69 0.00 1.79 1.68 0.00 0.00 7.43 7.98 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 0.00 156 G 8.50 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 0.00 0.00 0.00 157 I 8.07 4.33 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.88 0.95 0.00 0.00 158 T 8.45 4.87 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 1.26 0.00 0.00 159 V 8.96 4.32 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 1.00 0.00 0.00 0.98 0.00 0.00 160 P 0.00 4.81 0.00 2.11 1.95 0.00 3.85 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 161 A 9.64 4.05 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 0.00 162 A 7.97 3.93 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 0.00 163 Q 7.99 4.07 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 164 V 7.90 3.68 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 0.99 0.00 0.00 1.03 0.00 0.00 165 H 8.22 4.11 0.00 3.21 3.53 0.00 6.01 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 A 7.95 4.13 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 0.00 167 A 8.20 4.12 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 0.00 168 F 8.18 4.26 0.00 3.23 3.03 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 *170 S 8.07 4.30 0.00 3.97 4.06 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 0.00 0.00 0.00 171 A 8.19 4.14 1.27 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 0.00 172 L 8.31 4.32 0.00 1.76 1.78 0.93 0.66 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 0.00 173 S 7.51 4.28 0.00 3.83 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.29 4.14 0.00 3.31 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 0.00 175 A 8.17 4.12 1.27 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 0.00 176 Y 7.94 4.70 0.00 3.06 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 A 8.11 4.84 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 0.00 178 N 9.03 4.49 0.00 2.83 2.71 0.00 0.00 7.02 7.24 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 0.00 179 V 7.98 4.77 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.95 0.00 0.00 180 A 8.62 4.72 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 0.00 181 S 9.40 4.35 0.00 3.87 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 0.00 182 A 9.28 4.02 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 0.00 183 D 8.06 4.35 0.00 2.71 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 0.00 184 E 7.99 4.06 0.00 2.17 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 2.34 2.42 0.00 185 L 8.41 4.20 0.00 1.86 1.79 1.00 0.58 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 0.00 186 I 8.27 3.69 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.63 0.93 0.00 0.00 187 A 8.28 4.20 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 0.00 188 G 7.72 3.68 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.