NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2339 8.1133 119.6418 55.9564 32.4133 174.0084 3 K 4.5490 8.4680 123.9181 54.9271 33.3411 173.8190 4 I 4.6276 8.1323 126.8796 59.0971 40.4986 175.3423 5 G 4.1499 8.9248 114.5773 45.5415 0.0000 172.4653 6 I 4.9376 8.7123 123.3842 59.0735 40.6410 174.4620 7 I 4.3403 8.6689 127.0346 59.1516 40.4924 174.8727 8 G 4.7581 8.7133 116.8244 44.5568 0.0000 172.1005 9 G 3.7552 8.0234 108.8208 45.8987 0.0000 173.8837 10 T 3.9456 8.0811 110.1574 62.5685 69.1952 174.7409 11 F 3.7664 7.3485 119.7241 58.8432 36.8931 175.0130 12 D 5.1885 7.8164 116.1164 52.0420 41.1353 171.9405 13 P 5.1136 0.0000 0.0000 59.4211 33.9869 174.3687 14 P 4.6837 0.0000 0.0000 63.2656 31.9109 174.9666 15 H 4.8256 8.2521 113.8300 53.6684 31.4576 173.5483 16 Y 4.5690 9.0057 116.7117 60.7354 37.3770 178.7311 17 G 3.7565 8.2273 106.8783 48.1405 0.0000 175.2142 18 H 4.3604 7.9683 118.4865 58.7056 28.7629 177.8910 19 L 4.2219 8.1933 120.2307 57.7397 41.4840 179.0740 20 L 4.1370 8.6651 120.6041 58.3764 42.0736 178.9010 21 I 3.7425 7.9504 119.3065 64.5605 37.1618 177.9909 22 A 3.8563 8.2408 121.6225 55.4351 18.0660 179.2888 23 N 4.6999 8.7595 115.4226 56.9605 39.1469 177.0016 24 E 4.1024 8.6034 120.2103 59.5782 29.5780 179.6301 25 V 3.6588 8.1460 118.3481 65.9118 31.6074 177.0596 26 Y 4.2127 8.1657 119.4661 61.4438 38.0753 178.2815 27 H 4.0085 8.5007 116.3889 58.5410 28.6834 177.5806 28 A 3.9873 8.3527 122.9069 54.9729 18.2168 178.2651 29 L 4.3214 7.8928 112.0140 53.7327 42.6216 175.8274 30 N 3.8609 7.2786 115.5868 54.4665 37.3569 173.6068 31 L 4.1876 7.4491 117.3812 54.4593 43.0526 177.8874 32 E 4.2404 9.0498 122.0751 59.0909 29.6971 176.4140 33 E 5.2033 8.0299 116.5927 54.8436 35.0088 173.7335 34 V 4.7719 9.2264 120.8932 61.0743 34.6049 174.0680 35 W 5.5056 9.3788 128.2195 55.2871 31.4179 175.1362 36 F 4.6221 9.8005 124.5242 56.7014 40.1302 174.6357 37 L 4.9842 9.1857 127.2169 52.2478 42.8411 172.9683 38 P 5.1939 0.0000 0.0000 62.7820 32.2007 176.3414 39 N 5.5443 8.6731 121.4088 52.1321 40.6332 174.0609 40 Q 4.2457 8.3676 120.4105 54.2417 30.5992 175.3200 *52 S 4.2786 8.2335 120.1719 57.8952 65.4482 174.5959 53 V 3.5544 8.1154 122.2441 66.1143 31.2588 177.7448 54 E 3.8899 8.2216 118.5540 59.6695 29.4277 178.9507 55 S 4.3549 8.2257 116.4173 61.1198 62.7941 176.9851 56 R 3.9180 7.9818 120.7343 59.3339 29.8623 179.1708 57 L 3.8548 8.1401 118.9512 57.6030 41.5251 179.3541 58 Q 3.8246 7.6213 119.3659 59.0226 28.9835 177.9161 59 M 3.6457 7.6150 119.7873 58.0219 31.9810 178.3781 60 L 3.6840 7.9420 120.8130 57.8797 42.1559 178.6893 61 E 3.7393 8.0313 119.1698 59.2788 29.3927 178.8076 62 L 3.9011 7.5170 117.3672 57.7403 41.7175 179.0807 63 A 4.0253 8.1808 120.4379 54.2961 18.6423 178.6817 64 T 4.4137 7.3216 105.5090 61.3448 69.4837 175.9469 65 E 3.8317 8.0246 120.0016 59.2991 29.4264 177.8658 66 A 4.2041 7.8249 119.8109 52.3408 19.2945 176.5284 67 E 4.3430 7.9279 114.2766 53.8600 30.9860 176.3988 68 E 3.9650 8.8986 124.7555 59.4468 29.7589 177.7546 69 H 4.7455 7.8364 112.2616 55.8602 29.9566 174.5252 70 F 5.8780 8.0850 119.3368 56.5456 40.5126 175.3558 71 S 4.8191 9.5837 118.5465 56.9611 67.7704 172.6974 72 I 4.6576 8.1200 121.9491 60.0834 38.5138 174.7305 73 C 4.5148 8.9734 127.7641 57.5604 33.2502 173.4360 74 L 4.4906 8.4133 124.7305 54.4007 41.9936 177.5390 75 E 3.8802 8.3912 121.9124 59.5235 29.5245 178.2611 76 E 4.1114 8.1641 116.7074 57.2644 30.1528 177.7053 77 L 4.2229 8.2003 118.4283 57.4121 42.3162 177.9448 78 S 4.0608 7.4267 112.4796 61.3247 62.7605 175.2567 *83 S 4.1063 7.7257 114.4311 58.1732 63.9672 172.7530 84 Y 4.5176 8.2117 121.5378 57.5041 38.9904 176.4961 85 T 3.9182 8.8832 120.8754 67.2504 68.4199 175.7780 86 Y 4.1496 8.3765 120.5539 60.9437 38.7641 177.9045 87 D 4.2772 8.4226 119.4776 57.6978 40.9855 178.8556 88 T 3.8528 7.8925 115.4971 67.1866 68.4831 176.5355 89 M 3.9105 8.2931 120.6868 57.7870 31.9044 178.6199 90 L 3.7226 7.7365 120.9276 58.1939 42.2391 179.0172 91 Q 3.9736 7.9317 117.8379 59.0902 28.6051 178.9996 92 L 4.2526 8.0506 120.2179 58.0024 41.7242 179.6910 93 T 4.2153 8.2816 110.0746 64.5846 68.4726 176.9951 94 K 4.0966 7.7410 120.8773 59.1682 32.2097 178.8116 95 K 4.0822 8.0883 118.3335 57.6394 33.7041 176.5402 96 Y 4.9083 8.2015 116.4764 55.4556 38.3368 173.9970 97 P 4.5847 0.0000 0.0000 64.3934 32.0718 177.3505 98 D 4.5896 8.1104 115.2940 53.5974 40.0410 175.8248 99 V 4.0875 7.4448 121.0534 61.4441 33.1174 174.9575 100 Q 4.2510 9.3245 130.8168 54.8085 29.9122 174.3154 101 F 4.6754 8.5458 126.3953 57.4815 40.7866 174.6077 102 H 5.1245 9.5701 121.6930 54.0915 30.3077 173.4179 103 F 4.5826 9.0373 127.9951 57.3221 40.1969 174.3813 104 I 4.8721 7.9764 128.7773 60.6201 37.8020 175.6297 105 I 4.8922 9.3244 120.1631 58.6891 41.6387 175.3636 106 G 4.0486 8.8007 111.8068 45.1738 0.0000 175.0434 107 G 3.6596 8.6179 108.4005 47.8094 0.0000 175.9683 108 D 4.4468 8.0447 119.3313 56.7590 41.1470 177.6069 109 M 4.4206 8.0835 118.7444 57.5822 32.3665 177.9391 110 V 3.3672 7.3941 118.4311 65.9771 31.3436 177.3252 111 E 3.6302 7.9197 117.4743 59.0689 29.4871 176.7776 112 Y 4.7883 7.6585 113.9436 57.6140 38.5674 177.0325 113 L 3.0216 7.6077 122.2368 57.2546 41.7217 177.8751 114 P 4.5776 0.0000 0.0000 64.3625 31.3073 177.1010 115 K 4.4208 8.3197 116.2522 56.6172 32.5942 177.2104 116 W 4.4590 8.3686 120.8036 55.9528 29.6624 175.0819 117 Y 3.9036 8.7435 122.8704 59.2852 38.4304 175.5264 118 N 3.6164 8.1936 125.2142 53.8912 37.7182 175.6764 119 I 3.6323 7.3346 118.1246 63.8890 37.7320 176.3671 120 E 3.8145 7.8977 117.5441 59.5188 29.6215 178.8343 121 A 4.0873 7.6899 120.1075 54.9254 18.4231 179.2210 122 L 4.1299 8.0755 119.1224 58.3589 41.9595 179.1670 123 L 4.0293 7.7475 117.9870 57.5176 41.5684 178.5344 124 D 4.5663 7.7692 116.9420 55.7360 41.0608 177.8138 125 L 4.4151 7.7423 118.7990 55.2798 42.3611 176.6310 126 V 4.6741 6.7852 109.0196 59.8266 36.2648 175.1445 127 T 4.4281 8.5184 119.2953 61.9351 70.1888 174.4918 128 F 4.8364 8.7121 125.8531 57.3515 40.8176 174.6182 129 V 4.7405 9.3302 123.5095 61.2224 33.9856 174.3245 130 G 4.2970 9.2945 116.6362 45.0379 0.0000 172.2560 131 V 4.7350 8.8762 125.3866 61.9559 32.6344 174.5929 132 A 5.0731 8.6997 130.1000 49.8922 22.0586 176.0793 133 R 4.5434 8.4966 118.7713 55.4165 31.6627 174.8052 134 P 4.6418 0.0000 0.0000 64.4892 31.6837 177.0940 135 G 3.9091 9.0907 111.8661 45.2999 0.0000 172.9037 136 Y 4.5261 7.5972 117.1428 56.6061 39.2676 174.9590 137 K 4.6283 8.5127 122.4790 54.5779 34.1001 176.1910 138 L 4.2171 8.4149 123.6221 54.3177 42.4242 176.4091 139 R 4.4406 8.1989 122.4232 55.0608 31.2194 175.7158 140 T 4.2996 7.7705 114.7101 60.5417 70.0109 171.5687 141 P 4.1863 0.0000 0.0000 64.9774 31.7610 176.6197 142 Y 4.6002 7.2465 115.8664 56.1299 38.8923 173.4552 143 P 4.8163 0.0000 0.0000 62.1550 30.2695 175.2360 144 I 4.7400 7.8793 117.8394 59.6281 40.9288 174.9631 145 T 4.5514 8.7643 119.8170 63.0070 70.2698 173.9733 146 T 5.1166 8.4721 121.3260 61.7941 71.2070 173.7567 147 V 4.4507 8.6066 125.4536 61.0690 34.6225 173.9969 148 E 4.9690 8.8945 127.5683 55.8857 30.3530 175.9899 149 I 4.7477 8.7279 125.2102 58.6614 41.0924 173.8056 150 P 4.3036 0.0000 0.0000 62.4545 31.8087 175.8641 151 E 4.0709 8.7611 123.6286 56.2668 30.1973 176.2320 152 F 5.0615 8.6680 127.3214 56.3987 40.0586 174.7484 153 A 4.6016 8.5688 135.0000 51.8519 18.3710 177.8700 154 V 4.0467 7.4188 120.4071 61.9627 33.2777 176.0509 155 S 4.5248 7.7703 115.0732 55.8396 67.1024 175.1687 156 S 4.1177 8.7281 119.4056 62.0729 62.6483 177.3265 157 S 4.0239 7.9411 116.2012 61.2187 62.7960 175.9033 158 L 3.8933 7.6652 123.6589 57.9746 41.7135 179.0548 159 L 3.9304 7.8279 118.7788 57.7781 41.5391 179.6690 160 R 3.5226 8.0205 118.2345 59.2217 29.5433 178.8074 161 E 4.0007 8.2591 118.9759 59.0684 29.4689 179.1896 162 R 3.8869 8.0214 118.3525 59.4672 30.2594 178.4769 163 Y 4.0871 8.1365 116.7360 61.0208 37.6127 178.7566 164 K 4.3857 8.0115 121.1379 58.6226 32.3416 177.7193 165 E 4.4222 7.5609 115.8372 55.3640 29.4662 176.4332 166 K 3.9118 7.5829 116.4310 57.1675 30.3247 175.3571 167 K 4.3588 7.9230 119.3969 54.8417 33.2961 176.3475 168 T 3.8644 8.2971 118.3670 63.0439 67.8406 173.3784 169 C 4.7360 8.3192 123.1807 58.9355 29.5341 173.5370 170 K 3.9721 7.4142 121.8731 58.3276 31.8698 176.7851 171 Y 4.1434 8.6159 122.2642 58.2594 36.0812 169.8160 172 L 4.6513 8.2731 119.9705 56.1082 42.5523 176.4378 173 L 4.8676 7.6535 115.6078 52.0591 43.6827 174.3917 174 P 4.4401 0.0000 0.0000 62.0088 33.0442 177.4980 175 E 4.1683 8.9705 121.0676 59.7042 29.3525 179.9563 176 K 4.0318 8.0268 117.9678 59.4269 32.0891 179.3894 177 V 3.5880 7.7071 118.0282 65.9565 31.4544 177.7938 178 Q 4.2048 8.2191 119.1883 58.4326 28.5526 179.0918 179 V 3.5804 8.2456 119.4686 66.1704 31.4185 177.1892 180 Y 3.9289 8.2961 119.4439 60.8434 38.5858 178.2524 181 I 3.6169 8.0814 120.6565 64.5487 36.8270 178.3843 182 E 3.9560 8.3607 119.4803 59.3306 29.0389 179.3452 183 R 3.9200 7.9547 117.5497 59.4011 30.2232 178.0792 184 N 4.5666 7.7361 113.2261 52.0031 38.8147 175.3404 185 G 3.9668 7.3769 107.5737 46.2668 0.0000 174.3513 186 L 3.7369 7.4121 117.5955 55.3190 42.5088 177.4700 187 Y 3.7655 7.9866 116.6488 59.1085 35.6532 170.3398 188 E 4.3003 7.7057 123.8987 56.6336 29.6600 176.1034 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 R 8.11 4.23 0.00 1.60 1.90 0.00 3.52 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 3 K 8.47 4.55 0.00 1.67 1.57 0.00 1.54 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.58 1.48 7.81 4 I 8.13 4.63 0.96 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.25 -0.40 0.00 0.00 5 G 8.92 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 0.00 0.00 0.00 0.00 6 I 8.71 4.94 1.67 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 1.22 1.05 0.79 0.00 0.00 7 I 8.67 4.34 1.58 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 1.17 1.60 0.12 0.00 0.00 8 G 8.71 4.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.02 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.08 3.95 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 1.17 0.00 0.00 11 F 7.35 3.77 0.00 3.31 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 12 D 7.82 5.19 0.00 2.60 2.57 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 13 P 0.00 5.11 0.00 2.32 2.27 0.00 3.47 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 14 P 0.00 4.68 0.00 2.16 2.13 0.00 3.80 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 15 H 8.25 4.83 0.00 3.49 3.43 0.00 5.65 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 9.01 4.57 0.00 3.47 3.33 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 17 G 8.23 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 7.97 4.36 0.00 3.52 3.81 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 8.19 4.22 0.00 2.18 2.08 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.67 4.14 0.00 2.07 2.14 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.95 3.74 1.94 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 1.53 0.52 0.93 0.00 0.00 22 A 8.24 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.76 4.70 0.00 3.23 3.21 0.00 0.00 7.25 8.13 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 24 E 8.60 4.10 0.00 2.26 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 0.00 2.65 2.56 0.00 25 V 8.15 3.66 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 1.01 0.00 0.00 1.04 0.00 0.00 26 Y 8.17 4.21 0.00 3.27 3.37 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 27 H 8.50 4.01 0.00 3.30 3.31 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.35 3.99 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 29 L 7.89 4.32 0.00 1.55 1.62 0.94 0.90 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 0.00 0.00 0.00 30 N 7.28 3.86 0.00 2.73 2.73 0.00 0.00 7.15 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 31 L 7.45 4.19 0.00 1.81 1.73 0.96 0.43 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 32 E 9.05 4.24 0.00 1.91 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 0.00 2.39 2.34 0.00 33 E 8.03 5.20 0.00 1.97 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 0.00 2.46 2.43 0.00 34 V 9.23 4.77 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 0.56 0.00 0.00 1.09 0.00 0.00 35 W 9.38 5.51 0.00 3.24 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 36 F 9.80 4.62 0.00 2.61 2.23 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 37 L 9.19 4.98 0.00 1.83 1.66 1.10 0.88 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 38 P 0.00 5.19 0.00 2.05 2.13 0.00 4.01 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 2.03 2.09 0.00 39 N 8.67 5.54 0.00 2.62 2.79 0.00 0.00 6.65 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.37 4.25 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.59 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 *52 S 8.23 4.28 0.00 4.11 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 53 V 8.12 3.55 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 1.10 0.00 0.00 0.93 0.00 0.00 54 E 8.22 3.89 0.00 2.06 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 2.40 2.41 0.00 55 S 8.23 4.35 0.00 4.07 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 0.00 56 R 7.98 3.92 0.00 2.02 2.02 0.00 3.43 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 57 L 8.14 3.85 0.00 1.74 1.63 0.88 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 7.62 3.82 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.39 1.63 0.00 59 M 7.62 3.65 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 60 L 7.94 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0.00 0.00 0.00 2.39 2.34 0.00 77 L 8.20 4.22 0.00 1.76 1.70 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.43 4.06 0.00 4.07 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 *83 S 7.73 4.11 0.00 4.02 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 84 Y 8.21 4.52 0.00 3.32 2.96 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 85 T 8.88 3.92 4.32 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 0.94 0.00 0.00 86 Y 8.38 4.15 0.00 3.05 3.25 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 0.00 87 D 8.42 4.28 0.00 2.99 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 88 T 7.89 3.85 4.42 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 1.27 0.00 0.00 89 M 8.29 3.91 0.00 1.85 1.97 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.74 0.00 90 L 7.74 3.72 0.00 1.16 1.57 0.82 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 7.93 3.97 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.65 0.00 92 L 8.05 4.25 0.00 1.32 1.37 0.84 0.82 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 93 T 8.28 4.22 4.33 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 1.37 0.00 0.00 94 K 7.74 4.10 0.00 2.00 1.90 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.58 7.81 95 K 8.09 4.08 0.00 1.65 1.78 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.30 1.07 7.81 96 Y 8.20 4.91 0.00 3.52 2.97 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 97 P 0.00 4.58 0.00 2.08 2.15 0.00 3.78 0.00 0.00 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0.00 0.00 0.00 1.47 1.31 1.47 0.00 0.00 106 G 8.80 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 0.00 0.00 0.00 107 G 8.62 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.04 4.45 0.00 2.71 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 0.00 109 M 8.08 4.42 0.00 2.46 2.25 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 3.04 0.00 110 V 7.39 3.37 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 0.88 0.00 0.00 0.92 0.00 0.00 111 E 7.92 3.63 0.00 1.59 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.01 0.00 112 Y 7.66 4.79 0.00 3.34 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 0.00 113 L 7.61 3.02 0.00 1.56 1.18 0.21 -0.75 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 0.00 114 P 0.00 4.58 0.00 2.11 2.21 0.00 3.79 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 115 K 8.32 4.42 0.00 2.16 2.02 0.00 1.93 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.52 7.81 116 W 8.37 4.46 0.00 3.43 3.17 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 0.00 0.00 0.00 0.00 117 Y 8.74 3.90 0.00 2.20 2.57 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 0.00 118 N 8.19 3.62 0.00 1.44 1.82 0.00 0.00 6.81 7.89 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 0.00 119 I 7.33 3.63 2.05 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.53 0.91 0.00 0.00 120 E 7.90 3.81 0.00 1.87 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 2.32 2.31 0.00 121 A 7.69 4.09 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.08 4.13 0.00 2.04 1.87 0.92 0.85 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 0.00 123 L 7.75 4.03 0.00 1.81 1.70 0.31 0.90 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 0.00 124 D 7.77 4.57 0.00 2.78 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 0.00 125 L 7.74 4.42 0.00 1.72 1.68 0.80 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 126 V 6.79 4.67 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 0.60 0.00 0.00 0.13 0.00 0.00 127 T 8.52 4.43 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 1.20 0.00 0.00 128 F 8.71 4.84 0.00 3.07 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 0.00 129 V 9.33 4.74 2.16 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 1.02 0.00 0.00 1.02 0.00 0.00 130 G 9.29 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.20 4.44 0.00 1.72 1.81 0.00 3.39 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 140 T 7.77 4.30 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 1.26 0.00 0.00 141 P 0.00 4.19 0.00 1.25 1.76 0.00 3.24 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.82 0.00 142 Y 7.25 4.60 0.00 3.01 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 0.00 143 P 0.00 4.82 0.00 2.22 2.15 0.00 3.90 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 2.06 2.01 0.00 144 I 7.88 4.74 2.12 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 1.37 0.78 0.97 0.00 0.00 145 T 8.76 4.55 4.31 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 1.25 0.00 0.00 146 T 8.47 5.12 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 1.25 0.00 0.00 147 V 8.61 4.45 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 1.03 0.00 0.00 0.97 0.00 0.00 148 E 8.89 4.97 0.00 1.93 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 2.34 2.37 0.00 149 I 8.73 4.75 1.94 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 1.30 0.82 1.00 0.00 0.00 150 P 0.00 4.30 0.00 2.04 2.00 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 151 E 8.76 4.07 0.00 1.99 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 2.39 2.37 0.00 152 F 8.67 5.06 0.00 3.05 2.86 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 0.00 153 A 8.57 4.60 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 0.00 154 V 7.42 4.05 1.58 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 -0.29 0.00 0.00 0.56 0.00 0.00 155 S 7.77 4.52 0.00 3.96 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 0.00 156 S 8.73 4.12 0.00 3.86 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 0.00 157 S 7.94 4.02 0.00 4.01 4.08 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 0.00 158 L 7.67 3.89 0.00 1.70 1.81 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 159 L 7.83 3.93 0.00 1.88 1.78 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 160 R 8.02 3.52 0.00 1.84 1.83 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.47 0.00 161 E 8.26 4.00 0.00 2.03 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 0.00 2.29 2.34 0.00 162 R 8.02 3.89 0.00 1.89 1.75 0.00 3.10 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 163 Y 8.14 4.09 0.00 3.37 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 0.00 164 K 8.01 4.39 0.00 1.97 1.89 0.00 1.68 0.00 0.00 1.59 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.40 7.81 165 E 7.56 4.42 0.00 2.10 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 2.32 2.51 0.00 166 K 7.58 3.91 0.00 1.96 1.91 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.53 7.81 167 K 7.92 4.36 0.00 1.67 1.72 0.00 1.80 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.34 7.81 168 T 8.30 3.86 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 1.22 0.00 0.00 169 C 8.32 4.74 0.00 2.75 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 0.00 170 K 7.41 3.97 0.00 1.53 1.60 0.00 1.66 0.00 0.00 1.46 0.00 0.00 2.32 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 1.00 7.81 171 Y 8.62 4.14 0.00 3.30 3.20 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 0.00 172 L 8.27 4.65 0.00 1.92 1.72 0.93 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 173 L 7.65 4.87 0.00 1.74 1.62 1.10 0.77 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 0.00 174 P 0.00 4.44 0.00 2.03 1.89 0.00 3.60 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.17 0.00 175 E 8.97 4.17 0.00 2.06 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 0.00 2.44 2.49 0.00 176 K 8.03 4.03 0.00 1.79 1.86 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.55 1.52 7.81 177 V 7.71 3.59 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.87 0.00 0.00 178 Q 8.22 4.20 0.00 2.43 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 179 V 8.25 3.58 2.33 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 1.10 0.00 0.00 0.98 0.00 0.00 180 Y 8.30 3.93 0.00 3.18 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 0.00 181 I 8.08 3.62 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 1.53 0.71 0.21 0.00 0.00 182 E 8.36 3.96 0.00 2.01 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 0.00 2.43 2.42 0.00 183 R 7.95 3.92 0.00 1.79 1.81 0.00 3.06 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 184 N 7.74 4.57 0.00 2.22 2.54 0.00 0.00 7.29 7.27 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 0.00 185 G 7.38 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 0.00 0.00 0.00 186 L 7.41 3.74 0.00 1.07 0.19 0.81 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 187 Y 7.99 3.77 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 E 7.71 4.30 0.00 2.04 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.