NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.5075 8.3193 116.7971 58.6175 64.2896 172.8154 4 T 4.4857 8.1624 114.4402 59.0349 71.2931 171.6549 5 S 4.5393 9.1741 118.3469 57.4728 66.2935 174.4035 6 D 5.0315 8.6042 126.9092 52.5473 42.8077 175.8096 7 L 4.7869 8.0234 121.6685 52.6156 45.6116 176.4877 8 I 3.8452 8.2838 123.6925 60.6385 37.6660 174.4442 9 P 4.3356 0.0000 0.0000 61.9900 31.8698 176.2552 10 A 3.1733 8.3238 125.4033 51.1831 18.8623 175.9233 11 P 4.3037 0.0000 0.0000 61.1881 32.5180 174.4945 12 P 4.3175 0.0000 0.0000 62.3785 32.0620 177.4756 13 L 3.7759 8.4686 120.6795 57.7589 41.7723 179.7103 14 S 4.0468 7.9357 112.1740 60.9441 62.8256 175.2086 15 K 4.0314 7.8838 118.1911 56.7555 32.0474 176.8338 16 V 4.1693 7.1493 119.6131 60.0716 31.5812 173.5101 17 P 4.3645 0.0000 0.0000 62.3138 31.9455 175.0492 18 L 4.9987 7.8946 121.7211 52.8401 44.2226 175.7722 19 Q 4.0602 8.8331 130.8123 57.3544 29.3497 176.7190 20 Q 4.1738 8.8275 126.9179 55.5943 29.1861 171.9735 21 N 4.1116 8.6342 118.9794 54.0981 37.3135 174.5762 22 F 4.3280 8.1122 119.2496 58.7262 40.4817 174.7334 23 Q 4.2905 8.9182 128.3151 53.9353 29.0141 176.0297 24 D 4.8211 8.6589 127.7368 55.8750 39.3420 177.7902 25 N 5.0180 8.0015 119.3079 55.5170 37.1179 177.0652 26 Q 4.0218 7.7920 118.5960 57.8519 28.9489 177.2394 27 F 4.8056 7.8848 119.8387 58.4316 40.0338 175.2987 28 Q 4.4663 7.5300 117.1014 56.8597 29.4500 175.4203 29 G 3.9717 9.4651 106.0739 43.9048 0.0000 172.0719 30 K 4.4372 7.8591 119.6117 55.6742 33.0233 176.7253 31 W 4.8020 8.8275 126.5577 55.0052 32.7804 173.9895 32 Y 4.6447 9.4918 122.6835 57.1929 39.2932 175.4412 33 V 4.2812 8.4332 124.7590 62.5330 30.0837 175.7288 34 V 4.0789 8.6756 120.2770 62.3083 32.6220 176.5978 35 G 3.6252 7.5122 107.3369 44.2364 0.0000 171.5447 36 L 5.2728 9.2020 125.6146 53.2099 45.4533 174.9490 37 A 5.1252 9.4771 127.3975 50.0530 22.9729 174.8751 38 G 3.8871 7.7642 107.4752 45.9946 0.0000 173.9619 39 N 4.3705 8.1080 117.2117 54.1754 37.6413 175.9199 40 A 4.7151 7.8849 120.1132 51.7880 19.4424 175.5712 41 I 4.4384 7.2995 119.1300 60.2072 38.9471 174.5737 42 L 4.7847 7.9395 125.1087 53.1080 45.3872 175.4391 43 R 4.1419 8.5878 126.9068 56.3008 30.4233 175.9279 44 E 4.5434 8.8680 127.6696 54.8920 29.9087 176.7647 45 D 4.4714 8.8194 129.0545 57.0628 40.4707 177.7122 *46 K 4.2550 8.1064 119.2759 57.1727 32.0502 180.1284 47 D 4.8391 7.4143 116.9218 50.6002 40.8920 172.6242 48 P 4.4070 0.0000 0.0000 62.3070 32.5574 176.0438 49 Q 4.1932 8.5610 123.0982 56.2080 30.0110 175.3983 50 K 4.6496 8.6657 125.7683 55.9867 33.3943 176.4203 51 M 4.4503 8.8138 124.2724 55.9145 32.9243 174.9039 52 Y 5.1675 8.5154 122.2086 55.2000 42.3502 173.7299 53 A 5.2029 8.8777 120.8549 50.4781 22.8220 175.4237 54 T 4.9909 8.8635 116.0501 61.9014 72.5755 173.0709 55 I 4.7115 8.9420 127.9907 60.0027 39.2595 174.1949 56 Y 4.8879 9.0541 125.9204 56.3375 40.2461 174.8421 57 E 5.1121 8.9076 120.9908 54.5354 32.9496 174.7042 58 L 4.4590 8.9356 125.3490 54.6502 42.6421 177.5707 59 K 4.3778 9.2019 126.6382 55.5495 33.7073 178.4012 60 E 4.0098 8.6742 115.7943 59.2933 29.5641 175.5031 61 D 4.6449 8.0423 115.5163 53.2372 39.4148 176.4786 62 K 3.8578 7.8004 116.9688 57.6707 29.7500 175.7787 63 S 4.9210 8.1000 115.4273 57.6410 65.5591 172.4485 64 Y 5.0476 8.7656 118.9974 56.7493 39.8064 175.2764 65 N 4.8693 9.1220 121.9116 52.6284 39.7267 174.5537 66 V 4.0561 8.7715 126.2786 61.5523 33.0624 174.7393 67 T 4.8586 8.4388 126.0535 62.0183 70.7205 173.7745 68 S 5.2806 8.9572 123.8927 57.0973 65.3766 173.8499 69 V 4.8203 9.1446 123.7722 59.7975 33.9082 174.5197 70 L 5.1182 8.5967 124.9794 53.7459 44.3642 175.6038 71 F 5.2953 8.8871 122.8397 56.9158 39.7990 174.4843 72 R 4.2750 8.3621 126.2582 55.3002 32.8589 175.5318 73 K 3.6984 9.1627 123.1423 57.7850 29.5578 175.3707 74 K 3.8214 7.6002 111.4762 56.9084 30.3147 175.7956 75 K 4.7747 7.7633 117.5939 54.8175 36.0137 174.5426 76 C 5.0396 8.7417 118.1688 56.2508 40.5386 173.0176 77 D 4.9059 8.7715 124.9126 53.1772 42.5133 175.2770 78 Y 5.1486 8.7197 122.3567 56.5711 40.8693 175.6808 *79 W 4.5163 9.4011 129.9572 55.8266 31.1839 171.9797 80 I 4.6577 8.3203 126.3111 58.5520 36.2071 172.2002 81 R 4.8483 9.2755 125.9957 53.6601 35.0832 174.3995 82 T 5.0063 8.3530 115.6573 62.0177 71.9810 173.1917 83 F 5.6131 8.9482 125.9581 56.1753 40.8921 175.1011 84 V 4.5812 9.0605 125.3260 60.3131 32.9997 173.5526 85 P 4.5402 0.0000 0.0000 63.7409 31.5642 176.6603 86 G 4.1109 8.4273 114.0864 45.7616 0.0000 174.1036 87 S 4.3676 8.8554 114.7461 60.3819 63.7063 174.5215 88 Q 4.6056 7.4433 117.0737 52.6897 31.3256 172.7056 89 P 4.3079 0.0000 0.0000 64.4608 31.8765 176.9399 90 G 2.9370 8.5789 111.0963 44.1795 0.0000 171.9834 91 E 4.7908 7.2797 121.0114 54.3962 31.9676 174.7418 92 F 5.4115 9.0515 123.8446 56.2235 44.0323 173.4635 93 T 5.1178 9.1000 115.9864 60.0874 70.7341 172.6804 94 L 4.8131 8.6198 127.7376 54.4951 42.6458 176.6798 95 G 3.7906 9.5121 114.8999 46.4588 0.0000 172.9830 96 N 4.3694 8.7388 118.2147 54.2501 36.2382 176.1458 97 I 3.9433 7.8058 121.3625 64.4279 38.8632 178.3085 98 K 4.1794 8.1415 121.1100 57.1736 31.6392 181.9060 99 S 4.2076 7.7880 110.9605 60.0407 63.3380 173.6676 100 Y 4.4318 7.8799 120.3379 55.6077 37.7355 173.2497 101 P 4.3614 0.0000 0.0000 63.6861 32.2056 176.2519 102 G 4.0098 9.1327 111.2490 45.3365 0.0000 172.5102 103 L 4.3446 7.4554 121.4704 55.1029 41.3458 176.0119 104 T 4.5518 8.4225 117.0492 62.3982 70.1479 174.7200 105 S 4.7901 7.8568 115.8055 57.5425 66.2818 172.1621 106 Y 4.8944 8.2170 124.0986 56.7238 41.6795 173.2014 107 L 4.9440 9.1661 129.1638 53.2094 45.7859 174.9750 108 V 4.4551 8.8380 125.8439 60.9584 34.7562 174.3083 109 R 4.7040 8.7020 127.4604 54.5166 33.4895 174.0300 110 V 3.6742 8.5688 128.0850 63.0332 31.6508 176.7401 111 V 4.1265 9.0526 129.5547 64.8407 31.6561 176.1743 112 S 4.8687 7.5745 113.7608 57.5806 66.1962 172.4230 113 T 4.8166 8.8281 115.2663 61.4666 70.2409 172.8739 114 N 4.8086 8.2456 123.4399 52.3256 37.9676 174.8994 115 Y 4.4756 8.2050 121.9575 58.7477 37.3714 170.0150 116 N 4.6831 8.4008 115.7346 53.7412 38.7843 174.9747 117 Q 4.7032 9.1010 118.1466 56.8631 30.9488 180.4564 118 H 5.8832 8.2557 113.0307 54.2491 32.8721 171.1081 119 A 4.8869 8.7724 118.6602 51.1818 23.1121 175.1954 120 M 5.0894 9.3980 119.7044 53.4870 35.6016 174.9103 121 V 4.6469 8.3550 123.4221 60.9089 34.8717 173.7936 122 F 5.2986 9.1821 130.2391 56.8039 41.4709 174.2792 123 F 4.9892 8.5571 123.8537 55.3925 42.6572 174.0142 124 K 4.9512 8.7894 123.2590 54.7236 35.9367 174.8204 125 A 4.9647 9.3480 128.3071 50.6301 23.2923 174.9930 126 V 4.6882 8.5276 122.9537 61.6171 33.1838 174.5330 127 S 5.0958 8.8758 123.5329 56.8429 65.1539 174.0734 128 Q 3.2789 9.2468 127.0183 57.6121 26.5712 173.6669 129 N 4.2403 8.4613 108.8055 54.0035 36.7907 174.2884 130 R 4.2944 7.6944 117.8586 54.1989 31.7667 174.9116 131 E 4.4957 8.4786 124.8607 55.8580 29.5731 174.9848 132 Y 5.0125 9.1696 125.9473 56.8847 40.3958 174.9487 133 F 5.3377 9.2049 115.9651 55.7231 41.9408 173.0279 134 A 4.8470 8.8785 121.3522 50.6792 23.3426 174.9502 135 I 5.3639 9.4290 120.3965 59.7995 41.4765 174.7456 136 T 4.7986 9.0012 116.8228 59.8189 71.6318 173.2223 137 L 4.1858 8.5156 128.6830 53.8320 42.5070 174.6334 138 Y 5.1642 8.8304 125.2314 57.6207 39.3967 175.0510 139 G 4.7397 9.8771 110.4535 44.5972 0.0000 173.7749 140 R 3.5907 9.7103 125.0860 58.2389 30.7776 176.3210 141 T 4.6453 7.7603 107.2375 59.2454 71.2961 174.2730 142 K 3.7261 7.9993 119.9916 58.0426 32.2442 177.3755 143 E 4.7653 7.7885 117.0386 54.4131 31.9371 174.9014 144 L 4.8920 7.9830 120.3706 52.1265 46.1907 176.9380 145 T 4.1784 8.1704 110.7169 61.7625 70.8700 175.7050 146 S 4.1273 8.4936 117.7634 61.4901 62.8493 176.5236 147 E 3.9606 8.1303 121.7501 59.3889 29.4778 178.8047 148 L 4.0754 7.7515 119.1300 57.6267 41.6836 179.6801 149 K 4.3043 8.1360 118.5411 59.6484 32.0409 179.3689 150 E 4.1479 8.8502 119.2323 59.2169 29.3178 178.9111 151 N 4.4327 8.3411 117.5199 56.4262 38.9092 176.8119 152 F 4.3942 8.5578 122.3189 61.4098 39.5600 177.2343 153 I 3.5922 8.1871 119.5445 64.2322 36.9382 178.4139 154 R 3.9007 8.2202 119.6110 59.4361 29.7407 178.4286 155 F 4.2862 8.1695 119.2397 61.2659 39.7793 176.8513 156 S 3.9358 8.0274 115.0303 61.6363 62.5429 176.9482 157 K 4.2744 8.2336 122.4549 58.7876 31.5595 179.2386 158 S 4.1989 7.6026 112.4740 60.0416 62.9158 175.3109 159 L 4.4594 7.2077 121.5694 54.1619 41.6955 176.8283 160 G 3.8449 8.0627 106.6589 45.5931 0.0000 173.4009 161 L 4.4095 7.5869 120.2346 52.1180 42.8644 175.1429 162 P 4.5536 0.0000 0.0000 62.3859 32.9266 177.5943 163 E 4.0201 8.8384 113.6916 59.1355 29.6976 175.8416 164 N 4.5912 8.1799 115.7455 54.6895 37.7413 175.5587 165 H 4.7744 8.0785 115.1742 55.0436 29.1633 173.8770 166 I 4.5859 7.6806 121.4360 59.5381 38.9524 175.5441 167 V 4.5652 9.1376 119.8516 59.5699 35.9073 175.0350 168 F 5.0710 8.7480 121.2366 54.6590 40.5554 172.7249 169 P 4.6953 0.0000 0.0000 62.7628 32.0707 176.5846 170 V 3.9105 8.5744 124.4388 60.7736 32.5894 173.9678 171 P 4.6999 0.0000 0.0000 63.1096 31.8105 175.4505 172 I 4.7254 8.1207 114.9772 59.6849 40.7883 174.4465 173 D 4.8670 7.7991 118.4393 54.2787 41.8627 177.4488 174 Q 3.7396 7.5974 119.3811 56.7682 28.8444 177.0597 175 C 4.2012 8.9091 123.8719 57.4921 39.0538 174.3151 176 I 3.8876 7.7995 109.9376 61.5856 37.5438 175.3529 177 D 4.8518 7.8645 121.6434 53.7839 42.8612 176.6545 178 G 4.1827 8.5961 108.9670 46.2313 0.0000 173.7067 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 3 S 8.32 4.51 0.00 3.90 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 4 T 8.16 4.49 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 1.22 0.00 0.00 5 S 9.17 4.54 0.00 3.83 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 6 D 8.60 5.03 0.00 2.69 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.02 4.79 0.00 1.47 1.43 0.37 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.28 3.85 1.90 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.39 1.05 0.00 0.00 9 P 0.00 4.34 0.00 1.98 1.94 0.00 3.69 0.00 0.00 3.66 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 10 A 8.32 3.17 1.14 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 0.00 0.00 0.00 11 P 0.00 4.30 0.00 1.91 1.76 0.00 2.68 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 12 P 0.00 4.32 0.00 2.14 2.13 0.00 3.56 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 1.96 1.90 0.00 13 L 8.47 3.78 0.00 1.67 1.66 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.94 4.05 0.00 3.91 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 15 K 7.88 4.03 0.00 1.77 1.77 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.28 7.81 16 V 7.15 4.17 1.71 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 0.37 0.00 0.00 -0.11 0.00 0.00 17 P 0.00 4.36 0.00 2.08 1.87 0.00 3.51 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 1.95 2.04 0.00 18 L 7.89 5.00 0.00 1.48 1.44 0.83 0.71 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 19 Q 8.83 4.06 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.66 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 20 Q 8.83 4.17 0.00 1.88 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.48 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 21 N 8.63 4.11 0.00 2.80 2.89 0.00 0.00 6.99 7.02 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 22 F 8.11 4.33 0.00 3.03 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 23 Q 8.92 4.29 0.00 1.29 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.20 0.00 24 D 8.66 4.82 0.00 3.03 3.19 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 0.00 0.00 0.00 0.00 25 N 8.00 5.02 0.00 2.94 3.12 0.00 0.00 6.76 7.25 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 26 Q 7.79 4.02 0.00 1.34 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.06 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 27 F 7.88 4.81 0.00 3.34 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 28 Q 7.53 4.47 0.00 2.29 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.11 0.00 0.00 0.00 0.00 0.00 2.76 2.86 0.00 29 G 9.47 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 30 K 7.86 4.44 0.00 1.58 1.40 0.00 1.12 0.00 0.00 0.93 0.00 0.00 2.64 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.98 1.22 7.81 31 W 8.83 4.80 0.00 2.75 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 9.49 4.64 0.00 3.16 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 33 V 8.43 4.28 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 0.53 0.00 0.00 0.66 0.00 0.00 34 V 8.68 4.08 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 0.90 0.00 0.00 1.02 0.00 0.00 35 G 7.51 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 36 L 9.20 5.27 0.00 1.60 1.46 1.02 1.02 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 37 A 9.48 5.13 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.76 3.89 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 0.00 0.00 0.00 39 N 8.11 4.37 0.00 2.82 2.74 0.00 0.00 6.75 7.36 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 40 A 7.88 4.72 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.30 4.44 2.04 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.91 0.88 0.00 0.00 42 L 7.94 4.78 0.00 1.50 1.41 0.67 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.59 4.14 0.00 1.97 1.83 0.00 3.29 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 44 E 8.87 4.54 0.00 2.04 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 2.24 2.41 0.00 45 D 8.82 4.47 0.00 2.72 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 *46 K 8.11 4.26 0.00 1.77 1.75 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 0.99 7.81 47 D 7.41 4.84 0.00 2.59 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.41 0.00 2.11 2.03 0.00 3.75 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0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.00 7.81 99 S 7.79 4.21 0.00 3.74 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 0.00 100 Y 7.88 4.43 0.00 3.25 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 0.00 101 P 0.00 4.36 0.00 2.07 2.02 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 102 G 9.13 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 0.00 103 L 7.46 4.34 0.00 1.62 1.86 1.18 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.42 4.55 4.29 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 1.31 0.00 0.00 105 S 7.86 4.79 0.00 3.93 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 0.00 106 Y 8.22 4.89 0.00 2.98 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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4.99 0.00 2.63 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 0.00 124 K 8.79 4.95 0.00 1.77 1.57 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.46 7.81 125 A 9.35 4.96 1.24 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 0.00 0.00 0.00 126 V 8.53 4.69 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 0.95 0.00 0.00 0.96 0.00 0.00 127 S 8.88 5.10 0.00 4.03 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 0.00 128 Q 9.25 3.28 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.44 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 129 N 8.46 4.24 0.00 2.86 2.89 0.00 0.00 7.02 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 0.00 130 R 7.69 4.29 0.00 1.99 1.30 0.00 3.11 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.68 0.00 131 E 8.48 4.50 0.00 1.93 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 2.29 2.35 0.00 132 Y 9.17 5.01 0.00 3.07 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 0.00 133 F 9.20 5.34 0.00 2.95 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 0.00 134 A 8.88 4.85 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 9.43 5.36 2.09 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.07 1.43 0.00 0.00 136 T 9.00 4.80 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 1.17 0.00 0.00 137 L 8.52 4.19 0.00 0.27 1.10 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 8.83 5.16 0.00 2.56 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 0.00 139 G 9.88 4.74 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 0.00 0.00 0.00 140 R 9.71 3.59 0.00 1.74 1.90 0.00 2.21 0.00 0.00 2.66 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.26 0.00 141 T 7.76 4.65 4.17 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 1.21 0.00 0.00 142 K 8.00 3.73 0.00 1.49 1.66 0.00 1.47 0.00 0.00 1.50 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.43 0.44 7.81 143 E 7.79 4.77 0.00 1.89 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 2.13 2.18 0.00 144 L 7.98 4.89 0.00 1.61 1.56 1.07 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.17 4.18 4.26 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 1.24 0.00 0.00 146 S 8.49 4.13 0.00 3.88 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 0.00 147 E 8.13 3.96 0.00 2.05 1.96 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 2.40 2.43 0.00 148 L 7.75 4.08 0.00 1.87 1.72 0.96 0.55 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 0.00 149 K 8.14 4.30 0.00 1.80 1.76 0.00 1.09 0.00 0.00 1.60 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.63 1.68 7.81 150 E 8.85 4.15 0.00 2.08 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 2.36 2.40 0.00 151 N 8.34 4.43 0.00 3.08 3.04 0.00 0.00 6.72 7.75 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 0.00 152 F 8.56 4.39 0.00 3.19 3.44 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 0.00 153 I 8.19 3.59 2.13 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.39 0.97 0.00 0.00 154 R 8.22 3.90 0.00 2.03 2.21 0.00 3.13 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 155 F 8.17 4.29 0.00 2.99 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 0.00 156 S 8.03 3.94 0.00 3.73 3.62 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 0.00 157 K 8.23 4.27 0.00 1.92 1.83 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.37 7.81 158 S 7.60 4.20 0.00 3.99 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 0.00 159 L 7.21 4.46 0.00 1.75 1.64 0.73 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.06 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 0.00 0.00 0.00 161 L 7.59 4.41 0.00 1.78 1.54 0.76 0.82 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 0.00 162 P 0.00 4.55 0.00 2.34 2.22 0.00 3.62 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.97 0.00 163 E 8.84 4.02 0.00 1.92 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 2.32 1.88 0.00 164 N 8.18 4.59 0.00 2.85 3.11 0.00 0.00 6.17 7.90 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 0.00 165 H 8.08 4.77 0.00 3.31 3.41 0.00 5.58 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.68 4.59 2.01 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.71 0.84 0.00 0.00 167 V 9.14 4.57 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 0.76 0.00 0.00 0.96 0.00 0.00 168 F 8.75 5.07 0.00 2.91 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 0.00 169 P 0.00 4.70 0.00 1.98 2.26 0.00 3.75 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 2.14 2.16 0.00 170 V 8.57 3.91 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 0.80 0.00 0.00 0.96 0.00 0.00 171 P 0.00 4.70 0.00 1.93 1.97 0.00 3.63 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 172 I 8.12 4.73 2.06 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 1.60 0.68 1.04 0.00 0.00 173 D 7.80 4.87 0.00 2.76 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 0.00 174 Q 7.60 3.74 0.00 1.14 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 5.72 0.00 0.00 0.00 0.00 0.00 1.48 2.03 0.00 175 C 8.91 4.20 0.00 3.09 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 0.00 176 I 7.80 3.89 2.06 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 1.52 0.71 1.05 0.00 0.00 177 D 7.86 4.85 0.00 2.73 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 0.00 178 G 8.60 4.18 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 0.00 * Residues marked with a * may have inaccurate shift predictions.