NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.4414 7.8676 121.0512 61.1861 39.8286 175.4767 3 D 4.6991 8.7702 129.8671 51.4920 41.3784 173.2856 4 V 3.8152 8.8517 111.5525 61.8701 32.0061 179.7893 *6 Q 4.2433 8.2208 120.8530 56.0994 30.8996 177.6764 7 I 3.6711 8.0637 118.9889 64.6322 35.8839 178.2615 8 Q 4.4668 8.2703 118.4191 58.1726 28.7344 178.1749 9 E 4.1181 7.9317 117.0073 58.4450 29.7051 177.7020 10 I 3.8774 6.7254 116.6237 62.8050 38.2683 176.1551 11 L 4.2036 7.9684 120.5599 53.8101 42.0284 175.8823 12 P 4.4298 0.0000 0.0000 64.4781 32.0140 176.5255 13 H 4.2378 8.2805 116.5165 56.4086 29.2716 174.4099 14 R 4.8078 8.2372 120.5696 53.8392 34.1070 174.0235 15 Y 4.5011 8.6330 120.2183 57.8888 39.0243 173.9403 16 P 4.2056 0.0000 0.0000 62.7871 31.8668 175.2651 17 F 4.5495 8.4029 119.6574 58.7242 39.8137 174.5595 18 L 4.4526 8.1398 121.9872 53.4868 41.4319 175.1382 19 L 4.6799 8.1409 126.2274 54.1866 42.1423 176.5720 20 V 4.5128 7.5905 117.8501 61.3339 33.7992 174.7378 21 D 4.6319 8.7707 127.1806 56.1577 41.9305 176.9032 22 K 4.2926 7.2438 116.6887 55.2850 35.6486 174.0864 23 I 4.7596 8.7555 128.5906 60.1550 37.9434 175.6379 24 T 4.4238 8.9046 118.0444 62.9723 70.3503 174.8416 25 E 4.7598 7.9401 121.7037 54.8510 33.4556 174.0401 26 L 4.8809 8.4752 128.2847 54.2515 44.8231 174.7832 27 K 4.5912 8.9790 127.5666 54.3401 33.8302 176.7634 28 V 3.7813 8.5546 118.6669 63.2203 31.9720 176.9524 29 K 4.5246 9.1902 120.9013 57.2031 29.1209 175.3765 30 E 4.6147 7.5739 118.2501 56.3374 32.2714 174.7199 31 V 5.1111 8.3922 116.7796 60.2329 35.6894 173.5682 32 V 4.9872 8.4299 120.8415 60.1244 34.3990 174.3450 33 L 5.0443 9.2267 124.4814 53.1254 44.7067 175.9277 34 G 4.5279 8.8514 109.2639 46.1036 0.0000 170.7446 35 Y 5.1683 8.6332 117.1052 55.5741 42.0639 173.6815 36 K 4.8775 8.7401 121.0732 54.5648 35.3660 174.6931 37 N 4.8885 9.3971 125.3411 53.1987 39.5429 174.4607 38 I 4.4495 8.4445 124.7138 59.7995 39.4319 174.8054 39 S 4.9528 8.5674 120.3949 56.3711 66.0068 174.4432 40 I 3.9436 8.4104 117.0185 62.3357 37.4100 177.0854 41 S 4.2906 8.0557 117.6102 60.5641 62.9830 173.7997 42 D 4.7599 8.3772 122.3584 53.5219 41.4642 176.7672 43 H 4.3688 9.1727 122.3193 58.4602 28.9595 177.0649 44 V 3.4210 7.3206 114.0859 64.1450 31.9119 177.1474 45 F 4.4559 7.2531 119.4542 57.1469 36.9944 175.8857 *47 G 3.8625 7.7344 110.0713 45.5733 0.0000 171.7766 48 H 3.5879 8.0252 122.6445 54.8151 28.8134 176.5153 49 F 4.7735 8.3971 119.6987 57.5431 37.5281 172.2594 50 P 4.3921 0.0000 0.0000 63.9106 31.5622 177.2822 51 G 3.9889 9.9018 110.1574 46.2527 0.0000 174.0480 52 H 4.8052 8.1272 117.4460 54.2891 31.5000 170.0207 53 P 4.7181 0.0000 0.0000 62.9195 32.0975 177.0652 54 I 4.9532 8.5101 125.1436 59.3716 40.6436 174.6308 55 Y 4.0730 9.5098 130.0956 56.5645 39.4494 173.8144 56 P 3.8137 0.0000 0.0000 62.8089 32.1630 177.0010 57 G 3.2325 8.6342 110.1806 48.1609 0.0000 175.8784 58 V 3.7771 7.4464 113.9534 63.9581 31.5052 178.4193 59 L 3.9647 7.6672 118.7313 57.2284 41.1197 179.4342 60 I 4.0094 7.4938 119.5395 64.3827 37.1524 177.8773 61 L 4.1015 7.9921 118.1863 57.9058 41.7080 178.7403 62 E 4.0419 8.1145 118.9783 58.8841 29.5316 179.5668 63 G 3.7146 8.1821 105.6617 44.1816 0.0000 175.2483 *65 A 3.3026 8.0103 125.4150 51.5369 20.6715 180.1204 66 Q 3.8476 7.7335 114.9823 59.1851 28.7739 179.0047 67 T 3.8409 7.6225 116.8888 66.5969 68.4117 176.9012 68 G 3.3508 7.8325 107.1810 47.3950 0.0000 175.6089 69 G 3.6874 7.9991 107.9129 47.7568 0.0000 175.8424 70 V 3.7354 7.7035 120.9712 65.5524 31.5897 177.5888 71 L 3.9175 7.7427 119.3944 58.1794 41.6463 178.7590 72 A 2.8555 7.6022 119.1709 55.0362 18.3161 179.2772 73 F 4.2676 7.9444 115.0184 60.8511 38.9810 177.5005 74 E 4.2573 8.2695 117.6227 58.5687 30.7271 178.7396 75 S 4.4875 7.8068 116.2657 57.2868 60.4695 174.4789 *81 D 4.5751 7.5591 123.5817 53.3511 44.0204 172.2173 82 P 4.5275 0.0000 0.0000 62.8187 29.5812 176.2857 83 K 3.9274 8.2280 121.0893 55.1104 38.4720 173.9553 84 S 4.6180 8.1890 122.7066 57.0288 63.0443 173.4848 85 K 4.7561 8.4981 126.4254 55.1426 36.0162 175.4222 86 V 4.7188 8.0362 117.7646 60.2768 34.7024 175.2079 87 V 4.1154 8.4707 122.5570 61.6653 32.3080 173.8685 88 Y 4.8889 8.2970 130.1556 56.0432 40.5230 174.4026 89 F 4.5665 8.9694 126.5844 57.0457 39.2616 175.4421 90 T 4.1476 8.2500 116.4006 61.9729 69.8272 174.9756 91 G 4.3523 7.7371 108.2993 45.2884 0.0000 172.0480 92 I 5.3110 8.2528 121.5189 59.4976 40.9702 174.4896 93 D 4.7744 9.1148 125.3064 52.4621 45.4452 175.5617 94 G 4.0512 8.6943 106.8257 46.3614 0.0000 173.4599 95 A 4.3720 7.7935 119.7690 51.2785 19.5620 178.3730 96 K 4.3190 8.9118 122.0920 54.4020 36.2287 175.2433 97 F 5.1832 8.5328 122.8678 56.4315 40.1272 174.6597 98 R 4.4449 9.8323 125.8609 57.5713 30.3932 175.8070 99 N 5.1948 7.8843 114.9688 50.1507 42.5482 172.5717 100 P 4.5401 0.0000 0.0000 63.1814 32.4734 175.4506 101 V 4.5173 8.5132 121.1473 61.3821 34.1259 174.4902 102 R 5.0330 9.9601 126.6625 53.2614 34.3896 173.3011 103 P 4.1846 0.0000 0.0000 64.5989 31.6139 176.7393 104 G 4.0136 8.9139 111.1978 45.2577 0.0000 173.6369 105 D 4.5677 7.9736 120.1848 53.8273 42.3854 175.5959 106 R 4.3937 8.3372 123.1671 55.3287 31.1208 175.4485 107 L 4.3742 8.7774 130.3943 53.9536 43.0947 174.8593 108 D 4.8715 9.2648 128.3336 53.7706 41.8485 175.4350 109 Y 5.2796 9.1901 122.2601 56.9031 40.3415 174.7558 110 E 4.9098 9.2279 121.6918 54.7960 34.8657 174.5018 *112 S 4.7469 8.3550 114.8929 58.6190 64.7484 173.7113 113 V 4.1321 8.7803 124.3425 63.1189 31.1220 176.0422 114 V 4.1337 8.9214 122.0563 62.7710 32.8863 176.6176 115 K 4.5417 7.5459 119.7497 54.6756 35.9719 174.6201 116 N 4.6635 8.3309 124.0401 51.5762 41.7537 173.7155 117 R 4.3045 8.0217 121.9394 54.9572 32.8918 176.4976 118 G 3.7652 8.5236 113.8255 46.6804 0.0000 175.3945 119 N 4.6381 8.7859 116.2016 50.7158 36.1618 173.4853 *121 W 4.3312 7.5664 122.7111 57.1947 31.7043 174.6393 122 I 5.0181 8.2780 124.4899 59.4874 40.0254 174.4401 123 F 5.4516 9.4606 125.6111 55.5637 42.2707 174.2394 124 K 4.6692 9.2634 125.2876 55.3145 33.0818 175.9041 125 G 4.4062 9.2564 115.0393 44.6581 0.0000 171.7454 126 Q 5.1708 9.2638 120.9598 53.9024 33.8023 173.7526 127 A 5.2779 8.8037 123.9437 50.2477 22.3712 175.2207 128 F 5.4312 9.3597 119.3303 55.7109 44.0803 174.3030 129 V 4.5570 8.3566 120.2733 61.6493 34.3929 175.2284 130 D 4.3423 9.8967 127.5317 55.4973 38.3025 174.7082 131 G 3.7826 8.5424 104.3468 45.7139 0.0000 173.4274 132 N 4.8894 8.0384 118.1810 50.8297 39.6914 174.4473 133 L 3.9987 8.8387 125.5626 55.7674 42.6349 176.4812 134 V 4.4612 8.9397 118.5570 62.1140 34.7458 175.3584 135 A 5.1715 7.5868 119.8404 50.9103 22.9406 174.7926 136 E 5.0833 8.4942 115.6142 55.5860 33.4110 173.9106 137 A 4.7918 8.5099 120.3627 51.6133 23.6626 174.6272 138 E 5.0446 8.8212 121.3263 54.6782 31.6512 174.6824 139 L 5.3088 9.0815 127.0044 52.9082 44.9594 175.1495 140 K 5.0978 9.2893 124.9926 55.1580 34.2548 174.9242 141 A 5.2262 8.9501 129.4478 49.2983 22.0373 174.4296 *143 I 4.0221 8.3043 106.8856 61.0949 38.8876 176.2136 144 V 4.0534 9.3921 125.4263 62.9851 31.1303 175.0303 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 I 7.87 4.44 1.87 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 1.38 1.05 0.92 0.00 0.00 3 D 8.77 4.70 0.00 2.91 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 4 V 8.85 3.82 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 0.74 0.00 0.00 0.91 0.00 0.00 *6 Q 8.22 4.24 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.36 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 7 I 8.06 3.67 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.64 0.88 0.00 0.00 8 Q 8.27 4.47 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 9 E 7.93 4.12 0.00 2.01 1.97 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 2.32 2.25 0.00 10 I 6.73 3.88 1.90 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 1.21 0.55 0.63 0.00 0.00 11 L 7.97 4.20 0.00 1.59 1.70 0.89 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.43 0.00 2.16 2.15 0.00 3.94 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 2.00 2.02 0.00 13 H 8.28 4.24 0.00 3.19 3.53 0.00 5.64 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 14 R 8.24 4.81 0.00 1.83 1.86 0.00 3.36 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.55 0.00 15 Y 8.63 4.50 0.00 2.92 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 16 P 0.00 4.21 0.00 1.78 0.61 0.00 3.60 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.55 0.00 17 F 8.40 4.55 0.00 2.81 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 18 L 8.14 4.45 0.00 1.59 1.67 0.92 1.03 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 19 L 8.14 4.68 0.00 1.49 1.65 0.38 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.59 4.51 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 0.89 0.00 0.00 0.79 0.00 0.00 21 D 8.77 4.63 0.00 2.53 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.24 4.29 0.00 1.47 0.79 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.35 7.81 23 I 8.76 4.76 1.94 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 1.24 1.00 0.99 0.00 0.00 24 T 8.90 4.42 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 1.39 0.00 0.00 25 E 7.94 4.76 0.00 2.06 1.81 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 2.32 2.34 0.00 26 L 8.48 4.88 0.00 1.66 1.54 1.06 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.98 4.59 0.00 1.79 1.76 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.43 7.81 28 V 8.55 3.78 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 0.89 0.00 0.00 0.99 0.00 0.00 29 K 9.19 4.52 0.00 1.98 1.96 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.51 7.81 30 E 7.57 4.61 0.00 2.17 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 2.24 2.26 0.00 31 V 8.39 5.11 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 0.75 0.00 0.00 1.02 0.00 0.00 32 V 8.43 4.99 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 0.86 0.00 0.00 1.01 0.00 0.00 33 L 9.23 5.04 0.00 1.60 1.66 1.05 0.75 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 34 G 8.85 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.63 5.17 0.00 2.97 3.07 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 36 K 8.74 4.88 0.00 2.15 1.59 0.00 1.70 0.00 0.00 1.49 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.42 7.81 37 N 9.40 4.89 0.00 2.91 2.77 0.00 0.00 6.94 6.96 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 38 I 8.44 4.45 1.90 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.58 1.05 0.00 0.00 39 S 8.57 4.95 0.00 3.85 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 40 I 8.41 3.94 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 0.50 0.71 0.00 0.00 41 S 8.06 4.29 0.00 3.96 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 42 D 8.38 4.76 0.00 3.13 2.87 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 43 H 9.17 4.37 0.00 3.35 3.50 0.00 5.59 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.32 3.42 1.60 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 0.32 0.00 0.00 0.12 0.00 0.00 45 F 7.25 4.46 0.00 3.06 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 *47 G 7.73 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 48 H 8.03 3.59 0.00 2.74 2.91 0.00 5.55 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.40 4.77 0.00 3.44 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 50 P 0.00 4.39 0.00 2.10 2.07 0.00 3.93 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 51 G 9.90 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 52 H 8.13 4.81 0.00 3.09 3.27 0.00 5.96 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.72 0.00 1.73 1.95 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.88 0.00 54 I 8.51 4.95 2.21 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 1.62 1.28 1.12 0.00 0.00 55 Y 9.51 4.07 0.00 3.18 3.01 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 56 P 0.00 3.81 0.00 1.64 1.47 0.00 2.50 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.18 0.00 57 G 8.63 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 0.00 0.00 0.00 58 V 7.45 3.78 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 0.97 0.00 0.00 0.80 0.00 0.00 59 L 7.67 3.96 0.00 1.17 1.46 0.36 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.49 4.01 2.19 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.85 1.11 0.00 0.00 61 L 7.99 4.10 0.00 1.80 1.71 1.06 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.11 4.04 0.00 2.06 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 1.93 2.13 0.00 63 G 8.18 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *65 A 8.01 3.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 7.73 3.85 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.75 0.00 0.00 0.00 0.00 0.00 2.07 2.40 0.00 67 T 7.62 3.84 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 1.22 0.00 0.00 68 G 7.83 3.35 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 0.00 69 G 8.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.70 3.74 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 1.09 0.00 0.00 1.01 0.00 0.00 71 L 7.74 3.92 0.00 1.87 1.85 1.06 1.05 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 72 A 7.60 2.86 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 7.94 4.27 0.00 3.09 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 74 E 8.27 4.26 0.00 2.20 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 0.00 2.51 2.53 0.00 75 S 7.81 4.49 0.00 4.19 4.12 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 *81 D 7.56 4.58 0.00 2.69 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 2.23 1.57 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.13 0.00 83 K 8.23 3.93 0.00 1.73 1.67 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.23 1.29 7.81 84 S 8.19 4.62 0.00 3.82 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 85 K 8.50 4.76 0.00 1.81 1.60 0.00 1.77 0.00 0.00 1.89 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.48 7.81 86 V 8.04 4.72 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 0.81 0.00 0.00 0.99 0.00 0.00 87 V 8.47 4.12 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 0.33 0.00 0.00 -0.28 0.00 0.00 88 Y 8.30 4.89 0.00 2.96 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 89 F 8.97 4.57 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 90 T 8.25 4.15 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 1.02 0.00 0.00 91 G 7.74 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 0.00 0.00 0.00 0.00 92 I 8.25 5.31 1.88 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 1.36 0.74 0.90 0.00 0.00 93 D 9.11 4.77 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 94 G 8.69 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 95 A 7.79 4.37 1.01 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 96 K 8.91 4.32 0.00 1.49 1.56 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.28 7.81 97 F 8.53 5.18 0.00 2.97 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 98 R 9.83 4.44 0.00 1.74 2.06 0.00 3.34 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 99 N 7.88 5.19 0.00 2.73 2.69 0.00 0.00 6.91 8.02 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 0.00 100 P 0.00 4.54 0.00 2.14 2.14 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 101 V 8.51 4.52 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 0.89 0.00 0.00 1.00 0.00 0.00 102 R 9.96 5.03 0.00 1.81 1.69 0.00 3.28 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 103 P 0.00 4.18 0.00 1.80 1.71 0.00 3.42 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.12 0.00 104 G 8.91 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 0.00 105 D 7.97 4.57 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.34 4.39 0.00 1.61 1.63 0.00 2.21 0.00 0.00 2.57 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.40 0.00 107 L 8.78 4.37 0.00 1.55 1.46 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 108 D 9.26 4.87 0.00 2.84 2.68 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 0.00 109 Y 9.19 5.28 0.00 3.02 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 0.00 110 E 9.23 4.91 0.00 2.10 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 0.00 2.42 2.73 0.00 *112 S 8.35 4.75 0.00 3.91 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 0.00 113 V 8.78 4.13 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 0.55 0.00 0.00 1.28 0.00 0.00 114 V 8.92 4.13 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 0.70 0.00 0.00 1.04 0.00 0.00 115 K 7.55 4.54 0.00 1.72 1.45 0.00 1.45 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.32 7.81 116 N 8.33 4.66 0.00 1.87 2.09 0.00 0.00 6.80 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.02 4.30 0.00 1.78 1.73 0.00 3.16 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.50 0.00 118 G 8.52 3.77 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 0.00 0.00 0.00 119 N 8.79 4.64 0.00 2.90 2.91 0.00 0.00 5.89 8.88 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 *121 W 7.57 4.33 0.00 3.22 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 0.00 122 I 8.28 5.02 1.79 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 1.19 0.61 0.98 0.00 0.00 123 F 9.46 5.45 0.00 3.10 3.01 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 0.00 124 K 9.26 4.67 0.00 1.80 1.81 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.43 7.81 125 G 9.26 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 0.00 0.00 0.00 0.00 126 Q 9.26 5.17 0.00 2.02 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 127 A 8.80 5.28 1.22 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 0.00 128 F 9.36 5.43 0.00 2.91 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 0.00 129 V 8.36 4.56 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 0.96 0.00 0.00 130 D 9.90 4.34 0.00 2.86 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 8.54 3.78 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 0.00 0.00 0.00 132 N 8.04 4.89 0.00 2.91 2.81 0.00 0.00 6.63 6.02 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 0.00 133 L 8.84 4.00 0.00 1.64 1.59 0.45 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 134 V 8.94 4.46 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 0.84 0.00 0.00 0.98 0.00 0.00 135 A 7.59 5.17 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 0.00 136 E 8.49 5.08 0.00 2.02 1.90 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 2.09 2.17 0.00 137 A 8.51 4.79 1.15 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 0.00 138 E 8.82 5.04 0.00 2.07 1.85 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 2.31 2.32 0.00 139 L 9.08 5.31 0.00 1.96 1.79 0.71 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 140 K 9.29 5.10 0.00 1.86 1.71 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.39 7.81 141 A 8.95 5.23 0.39 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 *143 I 8.30 4.02 1.79 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.96 0.72 0.00 0.00 144 V 9.39 4.05 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 0.71 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.