NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4592 8.1927 116.7486 57.9277 65.9444 172.0573 5 L 4.5690 7.9600 123.3840 54.0436 42.6309 174.2708 6 T 4.6256 9.9735 125.1253 61.7647 72.1064 172.5862 7 I 4.8556 8.3234 127.3167 59.4558 39.2145 175.0561 8 R 4.8583 8.3700 122.2418 54.4463 33.4410 174.2801 9 L 4.3746 8.4206 120.0609 54.9185 41.4733 177.1467 10 V 3.5556 7.8060 119.8397 61.8254 31.9915 175.2658 11 A 4.8148 8.7130 125.3446 49.6855 22.0528 177.0139 12 E 4.5637 8.8679 116.7757 59.2597 29.7040 178.5975 13 A 4.1647 7.9436 121.7804 54.9196 18.7828 178.7194 14 D 4.4004 7.9252 115.6781 56.4376 40.8114 178.8169 15 W 4.3888 7.9783 119.8605 59.2599 28.6015 176.4173 16 P 4.3738 0.0000 0.0000 65.7649 30.4513 178.3660 17 A 3.7922 7.9374 120.1218 54.6231 17.9351 179.1193 18 L 3.8617 8.2704 119.3470 58.2235 41.8840 178.5808 19 H 3.7390 8.2307 117.5571 58.6735 30.1010 176.9351 20 A 4.0077 7.4982 122.5435 55.0004 17.1676 179.4212 21 L 4.0029 7.5805 118.0044 57.9613 42.0508 178.6288 22 D 4.6510 7.6828 117.7125 57.1409 40.8569 177.8797 23 Q 3.9071 7.5475 119.3052 58.8874 29.1634 177.5067 24 I 3.9658 7.1725 118.4563 60.5399 38.7870 175.5890 25 I 3.1043 6.9604 117.8006 61.9343 36.6753 172.5608 *39 S 4.5210 7.7109 117.7520 58.0140 64.1533 175.4289 40 L 3.6336 7.7526 121.0203 57.2115 42.1284 178.0069 41 A 3.8273 7.8158 119.6197 53.5496 19.7012 178.1473 42 A 4.1108 7.8116 118.9735 55.1907 19.1462 179.0924 43 Y 4.1671 8.0767 116.5873 60.7998 38.6525 177.5618 44 Q 3.3591 7.4203 116.8545 57.3965 28.8434 177.2123 45 E 4.2624 7.3244 116.8285 56.1337 30.0549 176.1977 46 K 4.2503 6.9882 119.3976 56.0965 32.4777 176.9762 *48 K 4.1278 8.1314 117.0555 56.4580 33.9330 176.6332 49 D 4.5500 7.8416 116.4698 54.7807 41.3561 176.7807 50 E 4.0378 7.8420 118.8243 56.4471 30.1444 176.5846 51 T 4.1997 8.3096 119.3241 63.0672 69.7226 173.7640 52 I 4.9291 7.8571 127.0581 59.4673 41.2323 174.4180 53 F 5.0856 9.2410 125.7497 55.6481 41.8548 174.8803 54 V 4.7833 9.0576 122.2847 61.0181 34.6292 173.8761 55 A 4.8920 9.0888 129.4382 50.6385 21.1598 175.9955 56 I 4.6654 8.6992 123.0848 59.5696 40.8819 174.5323 57 S 4.9491 8.6964 123.4809 56.5773 64.1925 174.8097 58 G 4.0571 8.8165 119.2296 47.0204 0.0000 173.8436 59 Q 4.6016 8.9731 120.7715 55.5390 29.7540 173.7343 60 Q 4.5057 7.7712 116.1103 53.3281 31.6430 174.2438 61 L 4.3498 8.2971 125.9172 54.9027 41.2263 176.1217 62 A 3.0331 8.6327 131.2411 53.7739 18.8961 177.0661 63 G 3.9968 7.2702 100.0928 47.2729 0.0000 171.9159 64 F 5.3748 8.0759 113.8270 56.1670 41.9131 173.0859 65 I 4.9572 9.0326 119.3757 59.4604 41.3867 173.0883 66 E 5.2353 9.7225 130.4366 54.5419 32.3304 174.8631 67 V 4.9382 8.0803 118.9214 59.8653 35.1054 174.6340 68 H 5.0396 8.5639 118.2602 53.3721 32.2280 171.3667 69 P 5.3845 0.0000 0.0000 61.5723 31.8665 175.0346 70 P 4.4200 0.0000 0.0000 65.5492 31.3030 175.9182 71 T 4.8018 7.3937 106.0226 59.7016 71.8653 173.5570 72 S 4.3880 8.6103 115.8906 59.6407 63.2697 175.1323 73 L 4.0442 7.8311 121.8037 54.6223 42.2607 177.7182 74 A 4.0004 9.0096 125.1434 55.4960 18.1283 179.6439 75 A 4.1479 8.0263 116.4027 54.4055 18.2895 178.1168 76 H 4.9002 7.9784 113.8746 55.8965 29.0597 176.0230 77 Q 4.4490 7.9218 119.3466 56.5874 28.9013 175.9976 78 K 4.5358 7.6878 119.4319 56.0117 33.8961 175.2167 79 Q 4.9732 7.9411 120.3732 54.1254 32.8664 173.6938 80 W 5.5697 8.8940 125.3183 54.8861 32.0012 174.6173 81 L 4.8436 9.2986 128.6371 54.5382 42.5256 175.4403 82 L 5.2617 8.6791 126.8487 54.1368 43.3713 175.9025 83 S 4.6369 9.0480 114.9498 56.7748 65.5790 172.4636 84 I 4.5707 8.5339 127.6314 59.2380 39.7208 175.1028 85 G 3.6254 7.5037 113.7134 43.9825 0.0000 171.7049 86 V 4.7018 8.0164 124.2147 60.4792 34.2936 175.0737 87 S 4.2138 9.0915 123.3373 58.0681 62.8497 173.0935 88 P 4.2232 0.0000 0.0000 65.9867 31.1648 176.8421 89 D 4.6469 8.0612 114.1113 54.5854 40.9435 176.2370 90 F 4.7793 7.9502 118.2996 57.0643 40.3826 175.2492 91 Q 4.1247 8.0787 120.6224 56.6462 29.6052 175.9539 92 D 4.4930 8.5626 118.6623 55.2347 38.9608 174.5226 93 Q 4.2806 8.0213 116.8008 55.4226 29.1768 175.9831 94 G 3.9903 8.1277 106.1876 46.9660 0.0000 176.5132 95 I 3.7691 8.0077 122.4633 63.8634 37.0357 177.9399 96 G 3.6062 8.0809 106.1502 47.9389 0.0000 175.6871 97 G 3.5993 8.2627 108.3606 47.4293 0.0000 175.7650 98 S 4.1596 8.0448 116.8998 61.2477 62.8873 176.6139 99 L 3.9605 7.9620 121.6862 57.7445 41.4012 179.4133 100 L 4.0105 8.2183 120.3891 58.3297 41.9347 178.8916 101 S 4.0672 8.2812 113.2538 61.3908 62.0268 175.4817 102 Y 3.9068 7.9361 121.4697 60.7710 38.6859 177.7423 103 I 3.7781 7.7664 118.0576 63.7909 38.2656 177.6557 104 K 4.2213 8.0899 119.7643 59.2789 31.6315 178.9907 105 D 4.5709 7.5625 115.9586 54.8778 40.3362 178.0141 *107 A 3.7878 7.9105 124.5573 52.1138 20.4253 179.3721 108 E 3.8671 7.8585 115.1596 59.1094 29.4632 178.0785 109 I 4.0095 7.5386 111.9632 63.0368 38.1817 177.4282 110 S 4.0718 7.8538 114.7430 58.9003 62.9298 174.7475 111 G 3.8089 7.5212 108.3344 45.6970 0.0000 173.4916 112 I 3.8061 7.3792 120.8857 60.9559 37.7191 175.4119 113 H 4.6118 9.0880 125.4632 57.4291 31.5080 174.7528 114 K 4.8205 7.7278 118.0647 54.4583 35.9338 174.8745 115 L 5.4614 8.7300 126.7554 53.2129 44.9036 175.6021 116 S 5.4482 9.0802 116.6374 57.4792 67.2518 172.2518 117 L 4.7245 8.4037 119.1946 55.6054 43.8527 173.2366 118 R 5.4356 8.7221 118.0548 54.1903 32.7819 176.0587 119 V 4.2225 8.9814 124.7455 61.0852 34.8292 177.5153 *121 A 4.5283 8.8772 119.2358 52.0957 20.1738 177.6189 122 T 4.2115 7.9231 103.8158 63.3942 70.0083 175.6847 123 N 4.6788 7.8754 122.9106 52.4754 35.9464 174.4693 124 Q 4.0664 7.9799 125.4143 58.7398 29.7768 176.8693 125 E 4.0741 8.1679 118.0519 58.9418 29.8883 178.7269 126 A 3.9615 8.0069 122.0684 54.8945 18.3430 179.6448 127 I 3.3727 7.7892 118.3786 64.3967 37.2315 178.3753 128 R 3.8253 7.9110 119.4848 59.4734 29.8415 177.8896 129 F 3.8774 8.0917 120.0988 61.7932 39.3170 176.7926 130 Y 3.7033 7.8826 116.0730 60.7759 37.5667 178.2404 131 E 4.2437 8.3866 119.9744 59.4853 29.3995 179.2108 132 K 3.8143 8.1189 118.5089 59.4010 32.1506 177.4163 133 H 4.7961 7.6290 114.1876 55.5377 29.5842 176.2506 134 G 4.2177 8.0673 109.0534 45.0784 0.0000 174.5590 135 F 4.7953 8.5827 118.5486 57.6314 39.7951 175.3220 136 V 4.7320 9.0814 115.6872 59.3454 35.0519 174.8694 137 Q 3.5924 8.4332 124.8385 56.1589 28.8702 175.3594 138 E 4.7231 9.2063 124.5168 56.3544 32.4233 176.0900 139 A 4.3696 7.5212 120.0642 50.4818 22.9282 174.7794 140 H 5.1301 8.3658 120.4319 54.4112 32.2013 172.3388 141 F 4.6705 8.9050 126.0020 56.3406 39.9370 175.3830 142 K 4.6687 8.7340 123.7900 55.7685 33.2410 176.8911 143 E 3.8862 8.6838 122.7340 57.5734 27.6392 175.1097 144 E 4.0760 8.4325 119.6807 57.4144 30.8487 175.9926 145 F 5.0469 7.8812 117.3656 55.6354 41.0068 173.5146 146 Y 4.3219 8.7396 126.8874 56.5281 39.2604 174.1467 147 I 4.2081 8.2929 128.9279 59.8873 39.8503 175.0181 148 N 3.7846 9.4329 126.9738 54.3745 36.8193 174.7315 149 G 3.8512 6.9836 104.8733 43.3150 0.0000 172.1374 150 H 5.0090 7.1296 116.0452 53.9925 32.0672 171.7565 151 Y 5.2830 8.5703 118.8242 56.6955 40.0412 175.0138 152 C 5.0703 9.1671 120.6726 58.0405 32.0744 173.4160 153 D 5.1989 8.7517 121.7723 54.1398 41.7828 175.1083 154 D 5.1944 8.9481 119.6128 52.8606 45.3069 173.8585 155 Y 5.4288 9.2857 120.3121 56.3178 42.1054 174.2092 156 Q 5.2407 8.7050 123.3144 54.7850 31.7832 173.8293 157 Y 5.2581 9.2508 123.2934 56.2549 41.4699 174.5695 158 A 5.2080 9.5281 123.8509 50.3456 23.1897 174.2375 159 Y 4.3173 8.3904 121.5311 55.4624 41.8756 174.2037 160 F 4.6722 7.6131 125.1478 55.4630 40.3718 175.8771 161 I 4.0310 8.0048 124.3017 61.6172 36.4895 176.2324 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 4 S 8.19 4.46 0.00 3.82 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 5 L 7.96 4.57 0.00 1.73 1.58 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 6 T 9.97 4.63 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 1.19 0.00 0.00 7 I 8.32 4.86 1.40 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.44 0.13 0.00 0.00 8 R 8.37 4.86 0.00 1.87 1.99 0.00 2.73 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 9 L 8.42 4.37 0.00 1.26 0.95 0.82 0.70 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 10 V 7.81 3.56 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 -0.22 0.00 0.00 11 A 8.71 4.81 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.87 4.56 0.00 2.24 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 0.00 2.34 2.38 0.00 13 A 7.94 4.16 1.29 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 0.00 0.00 14 D 7.93 4.40 0.00 2.32 2.37 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 15 W 7.98 4.39 0.00 3.41 3.23 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 16 P 0.00 4.37 0.00 2.30 2.36 0.00 3.82 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 17 A 7.94 3.79 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 18 L 8.27 3.86 0.00 1.71 1.64 0.40 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 19 H 8.23 3.74 0.00 3.31 3.44 0.00 6.00 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 20 A 7.50 4.01 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 21 L 7.58 4.00 0.00 1.76 1.75 1.02 1.31 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 22 D 7.68 4.65 0.00 2.70 2.38 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 23 Q 7.55 3.91 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 24 I 7.17 3.97 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 1.39 0.76 0.90 0.00 0.00 25 I 6.96 3.10 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.93 0.90 0.00 0.00 *39 S 7.71 4.52 0.00 3.94 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 40 L 7.75 3.63 0.00 1.69 1.59 0.88 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.82 3.83 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 42 A 7.81 4.11 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 43 Y 8.08 4.17 0.00 3.25 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.42 3.36 0.00 1.71 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 1.17 2.17 0.00 45 E 7.32 4.26 0.00 1.99 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 2.13 2.29 0.00 46 K 6.99 4.25 0.00 1.75 1.65 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.29 7.81 *48 K 8.13 4.13 0.00 1.78 1.86 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.33 7.81 49 D 7.84 4.55 0.00 2.66 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 50 E 7.84 4.04 0.00 1.93 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 2.29 2.62 0.00 51 T 8.31 4.20 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 1.12 0.00 0.00 52 I 7.86 4.93 1.66 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.86 0.80 0.00 0.00 53 F 9.24 5.09 0.00 2.97 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 54 V 9.06 4.78 1.91 0.00 0.00 0.00 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 0.76 0.00 0.00 55 A 9.09 4.89 1.13 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 0.00 0.00 56 I 8.70 4.67 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.86 0.87 0.00 0.00 57 S 8.70 4.95 0.00 3.73 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.82 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 0.00 0.00 0.00 59 Q 8.97 4.60 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.64 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 60 Q 7.77 4.51 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 61 L 8.30 4.35 0.00 1.53 1.54 0.97 1.00 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 62 A 8.63 3.03 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.27 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.08 5.37 0.00 3.18 3.05 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 65 I 9.03 4.96 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.79 1.01 0.00 0.00 66 E 9.72 5.24 0.00 2.20 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 2.47 2.47 0.00 67 V 8.08 4.94 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 0.00 0.00 0.51 0.00 0.00 -0.21 0.00 0.00 68 H 8.56 5.04 0.00 3.20 3.35 0.00 5.28 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 5.38 0.00 2.30 2.33 0.00 3.92 0.00 0.00 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 70 P 0.00 4.42 0.00 2.08 2.17 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 71 T 7.39 4.80 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 1.32 0.00 0.00 72 S 8.61 4.39 0.00 3.92 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.83 4.04 0.00 1.83 1.61 0.94 0.68 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 74 A 9.01 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 75 A 8.03 4.15 1.29 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 0.00 0.00 76 H 7.98 4.90 0.00 3.39 3.35 0.00 5.63 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 7.92 4.45 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 7.37 0.00 0.00 0.00 0.00 0.00 2.74 2.58 0.00 78 K 7.69 4.54 0.00 1.68 1.73 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.72 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.39 7.81 79 Q 7.94 4.97 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.02 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.49 0.00 80 W 8.89 5.57 0.00 3.37 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 81 L 9.30 4.84 0.00 1.78 1.39 0.97 0.44 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 82 L 8.68 5.26 0.00 1.72 1.73 0.98 1.01 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 83 S 9.05 4.64 0.00 3.93 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 84 I 8.53 4.57 1.72 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.79 0.58 0.00 0.00 85 G 7.50 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.02 4.70 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 0.78 0.00 0.00 0.71 0.00 0.00 87 S 9.09 4.21 0.00 4.06 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.22 0.00 2.08 2.13 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 89 D 8.06 4.65 0.00 2.57 2.44 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 90 F 7.95 4.78 0.00 2.95 2.98 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 91 Q 8.08 4.12 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.20 6.14 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 92 D 8.56 4.49 0.00 2.86 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 93 Q 8.02 4.28 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 94 G 8.13 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.01 3.77 1.83 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 1.70 1.20 0.87 0.00 0.00 96 G 8.08 3.61 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 0.00 0.00 0.00 97 G 8.26 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.04 4.16 0.00 4.05 3.92 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 99 L 7.96 3.96 0.00 2.02 1.71 0.83 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.22 4.01 0.00 2.00 1.62 1.19 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.28 4.07 0.00 3.91 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 0.00 102 Y 7.94 3.91 0.00 3.09 3.11 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 0.00 103 I 7.77 3.78 2.04 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.01 1.13 0.00 0.00 104 K 8.09 4.22 0.00 1.97 1.82 0.00 1.50 0.00 0.00 1.24 0.00 0.00 2.13 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.12 1.42 7.81 105 D 7.56 4.57 0.00 2.57 2.50 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 *107 A 7.91 3.79 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 0.00 108 E 7.86 3.87 0.00 2.12 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 2.31 2.26 0.00 109 I 7.54 4.01 1.87 0.00 0.00 0.91 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 0.56 0.91 0.00 0.00 110 S 7.85 4.07 0.00 3.57 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 0.00 111 G 7.52 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 0.00 112 I 7.38 3.81 1.25 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 -0.36 0.55 0.00 0.00 113 H 9.09 4.61 0.00 3.19 3.39 0.00 5.73 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.73 4.82 0.00 1.77 1.50 0.00 1.77 0.00 0.00 2.05 0.00 0.00 2.75 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.08 0.60 7.81 115 L 8.73 5.46 0.00 1.57 1.74 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 116 S 9.08 5.45 0.00 3.98 3.94 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 0.00 117 L 8.40 4.72 0.00 1.68 1.70 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.72 5.44 0.00 1.83 2.26 0.00 3.31 0.00 0.00 3.41 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.78 0.00 119 V 8.98 4.22 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 1.11 0.00 0.00 1.06 0.00 0.00 *121 A 8.88 4.53 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 0.00 122 T 7.92 4.21 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 1.25 0.00 0.00 123 N 7.88 4.68 0.00 2.83 2.83 0.00 0.00 6.85 6.83 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 0.00 124 Q 7.98 4.07 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 125 E 8.17 4.07 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 126 A 8.01 3.96 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 0.00 127 I 7.79 3.37 2.01 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.85 0.80 0.00 0.00 128 R 7.91 3.83 0.00 1.88 2.09 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 129 F 8.09 3.88 0.00 3.09 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 0.00 130 Y 7.88 3.70 0.00 2.72 2.45 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 0.00 131 E 8.39 4.24 0.00 2.18 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 2.51 2.44 0.00 132 K 8.12 3.81 0.00 1.64 1.68 0.00 1.68 0.00 0.00 1.49 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.08 1.33 7.81 133 H 7.63 4.80 0.00 2.94 3.20 0.00 5.89 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 0.00 134 G 8.07 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 F 8.58 4.80 0.00 3.16 3.43 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 0.00 136 V 9.08 4.73 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 0.77 0.00 0.00 1.12 0.00 0.00 137 Q 8.43 3.59 0.00 1.48 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.86 0.00 0.00 0.00 0.00 0.00 2.00 1.59 0.00 138 E 9.21 4.72 0.00 1.79 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 2.29 2.29 0.00 139 A 7.52 4.37 0.56 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 0.00 0.00 140 H 8.37 5.13 0.00 3.20 3.18 0.00 5.92 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 8.91 4.67 0.00 3.00 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 0.00 142 K 8.73 4.67 0.00 1.59 1.68 0.00 1.83 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.14 1.27 7.81 143 E 8.68 3.89 0.00 1.96 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 2.32 2.22 0.00 144 E 8.43 4.08 0.00 1.92 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 1.52 1.47 0.00 145 F 7.88 5.05 0.00 3.26 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Y 8.74 4.32 0.00 2.79 2.78 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 0.00 0.00 0.00 147 I 8.29 4.21 1.77 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.51 0.83 0.00 0.00 148 N 9.43 3.78 0.00 2.65 2.67 0.00 0.00 7.36 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 0.00 149 G 6.98 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 0.00 150 H 7.13 5.01 0.00 3.08 3.12 0.00 5.59 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.57 5.28 0.00 2.90 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 0.00 152 C 9.17 5.07 0.00 2.99 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 D 8.75 5.20 0.00 2.48 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.95 5.19 0.00 2.90 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 0.00 155 Y 9.29 5.43 0.00 3.27 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.71 5.24 0.00 2.41 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.70 0.00 157 Y 9.25 5.26 0.00 2.97 3.10 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 0.00 0.00 0.00 0.00 158 A 9.53 5.21 0.98 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 0.00 0.00 159 Y 8.39 4.32 0.00 1.43 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 0.00 0.00 0.00 160 F 7.61 4.67 0.00 2.65 2.76 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 0.00 161 I 8.00 4.03 1.87 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.91 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.