NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8802 8.4545 109.7371 45.5308 0.0000 174.0868 *1 H 4.0974 8.5917 117.9427 54.6797 28.5426 169.1210 2 A 4.6327 8.1076 120.7594 51.6338 22.7104 175.3675 3 L 4.3429 8.3268 124.3061 54.2813 43.2227 177.1526 4 K 4.2008 8.5700 127.2015 54.4094 32.0349 174.0314 5 A 4.6641 8.0355 123.9239 50.7356 22.2149 175.0788 6 T 4.4188 8.8871 116.7328 62.4877 70.4625 174.2584 7 I 4.7997 8.1888 126.8249 60.3228 38.6505 174.6252 8 Y 4.8388 9.1507 124.6614 56.0544 41.3409 174.7992 9 K 5.1029 8.8567 122.0207 54.5972 35.6747 175.1560 10 A 4.4836 8.7246 124.8407 50.5988 22.4599 175.0148 11 T 4.6383 8.5572 119.8845 62.8089 70.2006 174.3706 12 V 4.9690 8.8751 120.2067 59.4012 35.6166 174.1473 13 N 5.4939 9.0732 122.9112 51.7745 41.8163 173.1030 14 V 4.8308 9.0341 125.7899 61.0832 34.6924 173.8899 15 A 4.5030 9.3867 130.4428 50.2830 21.0489 174.4949 16 D 4.7969 8.6448 123.0774 54.0597 41.4230 176.8010 17 L 4.1777 8.8069 127.1731 56.5808 41.9387 178.7796 18 D 4.4447 8.2538 118.4985 57.3089 40.9963 177.8257 19 R 4.0201 8.6150 116.2438 56.4816 30.7781 176.0887 20 N 3.8971 7.7750 113.8793 54.4245 36.0499 174.1539 21 Q 4.4524 7.5368 119.1598 54.3443 31.4719 174.6654 22 F 5.4065 8.6338 124.8169 55.6392 42.0114 174.3441 23 L 4.7392 8.9269 124.4027 53.9455 45.9284 173.6324 24 D 5.6312 8.7867 124.1240 52.7600 43.5223 175.2561 25 A 4.8187 8.8992 122.9621 50.6391 23.4141 175.2717 26 S 4.9612 8.5706 114.6890 56.7158 64.7198 173.5531 27 L 4.4505 9.1319 125.9845 53.6381 43.7434 175.9874 28 T 5.0673 8.3475 117.6474 61.8297 71.4311 173.2038 29 L 4.5585 8.9337 126.2991 52.6696 44.6825 175.2468 30 A 4.9489 8.4566 125.2690 50.3499 20.8742 175.7147 31 R 4.6120 8.8429 124.2028 54.2853 31.8988 175.3950 32 H 4.7150 8.6968 126.2107 54.8583 30.8092 174.0014 33 P 4.1738 0.0000 0.0000 65.4698 31.2084 177.9330 34 S 4.2437 7.9696 111.0092 59.6691 63.3931 173.4368 35 E 4.3883 8.2465 124.4174 54.6692 30.2523 175.6178 36 T 4.1807 8.1895 116.2655 60.9938 69.9605 174.1289 37 Q 3.9469 8.7042 123.8880 59.5089 29.2271 177.8846 38 E 3.9581 8.2159 115.5950 59.5296 29.8582 178.6253 39 R 3.6117 7.2188 120.4380 56.2444 27.6062 175.9480 *42 L 3.9796 7.9156 123.4957 54.6138 44.4049 178.5493 43 R 3.8252 7.8417 117.6579 59.3831 29.9248 178.6029 44 L 4.0667 7.6496 119.0415 58.0936 42.0999 178.4296 45 L 3.7976 7.7800 119.4515 58.0466 42.0863 178.2656 46 A 3.3433 8.1673 121.0241 54.9528 17.8326 179.2522 47 W 3.9526 8.4781 126.7471 60.7722 30.6057 178.1063 48 L 4.2684 8.2781 118.8760 57.6916 40.8043 179.4177 49 K 3.7023 8.0032 118.7984 58.7732 32.1048 177.7460 50 Y 4.5065 7.2842 114.3671 56.2344 39.2722 175.4290 51 A 2.5800 6.2285 121.5881 51.8281 18.9454 177.6199 52 D 4.5368 6.8924 119.8871 52.7179 44.2214 175.8233 53 E 4.1317 8.8923 124.4012 59.4869 29.5750 178.5303 54 R 4.2160 8.8751 116.0020 56.9018 30.6865 176.1448 55 L 4.3805 7.4439 120.9988 54.9865 42.4218 176.1100 56 Q 4.8112 8.8881 125.1341 53.9657 32.5521 175.5179 57 F 4.9484 8.4733 120.7860 58.0287 40.1850 174.4008 58 T 4.2885 8.2048 114.2826 62.8354 70.5000 172.9704 59 R 4.3827 8.2247 123.6606 55.1999 33.8405 174.5467 *64 D 4.6587 8.1408 114.2879 55.3985 41.5554 175.2860 65 D 4.9660 8.5183 118.2291 53.3267 39.9132 175.6852 66 E 4.1058 7.9192 118.4339 54.7911 30.9698 173.9850 67 P 4.1077 0.0000 0.0000 62.4060 31.8035 176.3126 68 E 4.1426 8.6825 117.7650 59.2806 30.3244 177.2911 69 A 4.9231 7.5108 118.7759 50.4626 22.9170 175.2669 70 W 5.6610 9.0118 116.2735 54.8685 32.4849 173.5435 71 L 4.8228 8.9154 123.6352 53.6334 43.4525 175.3253 72 R 4.9578 8.4640 125.4823 54.7718 32.2309 176.1973 73 N 4.7636 8.6773 120.5820 51.3392 39.4120 175.6395 74 D 4.2850 8.5808 117.0141 57.3310 40.9141 177.1791 75 H 4.6154 8.6560 115.5989 55.3529 28.6785 176.3051 76 L 3.7142 8.0601 117.7686 55.0175 39.7981 174.9451 77 G 3.8273 7.5822 107.4715 44.7152 0.0000 172.9112 78 I 4.4120 7.9302 120.0970 60.4519 38.0148 176.7235 79 D 4.4486 9.2956 128.7153 56.4311 42.1930 176.6125 80 L 5.2756 7.8489 119.3753 52.8698 45.8096 174.6986 81 W 5.1001 9.2642 135.0000 55.7505 33.5331 173.8109 82 I 5.1519 8.8438 128.6640 59.7022 39.1474 174.4180 83 E 5.4182 9.5981 127.2115 54.4480 33.2510 174.2724 84 L 5.2604 9.0830 123.9254 54.1772 45.2128 177.1180 85 G 3.8852 9.8925 106.9133 44.5918 0.0000 174.1244 86 L 3.7595 7.6035 112.5779 51.7490 41.8673 173.9326 87 P 4.5392 0.0000 0.0000 62.5235 32.6917 176.7688 88 D 5.0372 8.3761 119.5788 51.4612 42.8170 176.7725 89 E 4.0270 8.7617 117.3949 60.3210 29.0661 179.6778 90 R 3.9972 8.0752 118.8774 58.3266 30.1622 178.9852 91 R 3.9008 8.5660 118.7240 59.4922 30.0915 178.5989 92 I 3.5797 8.0832 122.1795 64.8827 37.0859 179.1796 93 K 3.4589 7.9355 124.4501 59.3237 31.2661 180.5293 94 K 3.8733 7.7628 119.7056 59.4177 32.2462 178.3496 95 A 2.0000 7.2079 120.3857 54.7453 17.9194 179.2297 96 C 3.7769 7.3403 114.2160 63.0515 28.2261 176.1866 97 T 4.1469 7.4942 109.3677 63.5279 68.8307 176.0094 98 Q 4.3652 7.5055 118.7691 55.3735 29.6513 175.2956 99 A 4.9397 7.1490 121.6118 49.8786 22.4268 175.4944 100 A 4.2728 8.8810 124.5496 54.7387 18.9627 177.9918 101 E 4.9051 8.6053 114.1550 54.5024 33.7580 175.1555 102 V 4.9707 8.8181 123.0328 61.0073 34.6539 173.8831 103 A 5.2473 9.1545 129.7064 50.1716 21.5649 174.4540 104 L 5.2026 9.2326 125.6227 53.6236 44.7200 175.1953 105 F 5.3485 9.8213 126.1031 56.2550 40.4368 175.0819 106 T 4.8275 9.0768 115.4902 60.4975 70.1664 174.9469 107 Y 4.9399 7.9482 117.0675 57.8456 43.0654 174.6876 108 N 4.5570 7.6809 119.6964 52.1987 37.4562 175.2643 109 S 4.0501 8.3571 115.2905 60.6694 62.6706 175.1812 110 R 3.9271 8.1985 120.3933 59.8854 29.9635 178.6149 111 A 4.0833 8.0390 119.3946 55.0305 18.4723 179.3202 112 A 4.1788 8.7783 119.7693 55.3735 18.4345 179.7047 113 Q 4.0083 8.1183 116.1674 59.4312 29.0011 179.2784 114 I 3.7214 7.3701 120.4464 64.3177 36.7735 178.3688 115 W 4.1869 8.4460 129.1572 60.1840 30.4694 177.8617 116 W 4.1779 9.3261 131.3478 60.8596 29.8610 178.8022 117 Q 3.7630 8.1388 120.2505 59.7215 27.6499 180.3342 118 Q 4.3726 7.4976 116.1889 56.4447 29.3335 176.1518 119 N 4.4712 7.0649 116.9614 53.1074 41.5497 177.1720 120 Q 2.5200 7.3927 123.3080 60.6113 27.5507 185.0000 121 S 4.1707 7.3673 118.4861 62.5685 62.2621 177.8841 122 K 4.2304 7.8614 120.3744 59.0927 31.9172 179.0596 123 C 4.3811 7.6995 116.7753 62.4605 28.0068 175.7199 124 V 3.5875 7.3532 118.6258 65.6698 31.0029 177.4743 125 Q 4.0740 7.4110 118.0501 57.3507 28.5375 175.4991 126 F 4.6095 7.8499 119.4450 55.7053 38.7063 176.4021 127 A 4.1711 8.7645 130.0477 54.2573 18.5086 177.3034 128 N 5.0677 8.2484 112.9724 52.4712 38.8298 173.3574 129 L 5.0451 7.7473 120.6264 54.2399 43.8860 175.5649 130 S 4.8698 9.2945 122.5879 56.6534 65.9470 173.2131 131 V 4.6558 8.1556 123.5438 60.9115 33.9967 174.1484 132 W 5.0475 8.8581 128.0773 54.9587 32.2106 174.2778 133 Y 4.9302 8.5089 123.9063 54.5796 41.5419 174.1654 134 L 4.5347 7.2810 126.9177 52.7645 44.7194 175.9932 135 D 4.6178 7.9123 125.1236 52.2259 40.6710 176.8797 136 D 4.3936 8.9154 119.1883 57.7812 40.7220 178.9921 137 E 3.9554 8.2005 118.0080 59.7654 29.5546 179.3552 138 Q 3.9683 8.3393 117.7941 58.9087 28.7598 178.7362 139 L 3.8858 8.0706 121.1460 58.0880 41.8474 178.9655 140 A 4.0048 7.8381 119.8871 54.9333 18.5092 179.5568 141 K 4.0925 8.0656 117.0989 59.6014 32.0507 179.6088 142 V 3.6668 8.1846 119.0032 66.3139 31.3659 178.0588 143 S 4.1126 8.1863 112.2610 60.9928 61.9371 175.8908 144 A 4.0455 7.6112 122.6932 54.8550 18.1533 179.0328 145 F 4.0645 8.0370 114.6270 58.0916 39.2135 175.7320 146 A 4.1332 7.3602 122.8958 52.4614 18.6618 176.3417 147 D 4.7738 8.3551 120.5064 52.6573 44.6519 175.0499 148 R 3.6092 8.7477 124.2129 58.7982 30.2634 176.4397 149 T 5.0801 7.2678 110.5980 60.6971 71.8583 173.5287 *151 T 4.2655 8.1697 118.2435 63.7463 69.0554 173.5323 152 L 5.2143 8.7772 126.3908 52.8442 46.1676 175.6122 153 Q 5.0788 9.0176 121.2723 54.3651 32.9154 173.6526 154 A 5.1664 9.5296 127.5057 50.5589 22.1041 174.6794 155 T 5.0438 8.8811 119.7897 62.0320 71.2222 173.7087 156 I 4.9967 8.8424 127.6176 59.5608 39.9371 174.5763 157 Q 4.7935 8.9099 127.8312 55.2490 32.8303 174.3451 158 D 4.5305 10.6100 125.9178 55.4020 39.0366 175.1830 159 G 3.9239 8.3301 107.5745 45.1414 0.0000 174.4547 160 V 3.9231 7.6555 120.7793 61.8614 33.3068 174.7616 161 I 4.6128 8.2141 128.8956 59.4892 39.1085 175.0900 162 W 4.7801 9.2481 129.6234 55.7651 30.0616 175.2476 163 L 5.1126 8.8537 128.3014 53.3153 43.9462 175.4156 164 S 5.4786 8.8541 121.2299 57.2899 67.5915 173.2118 165 D 5.5962 8.8409 122.7091 51.5771 42.0301 175.5998 166 D 4.3448 9.0859 119.5608 56.7635 39.3464 177.8024 167 K 4.4090 7.7186 119.4903 55.0050 33.6196 178.8450 168 N 5.1943 9.5409 115.3604 51.6715 42.7035 172.6441 169 N 5.5624 8.5927 117.3344 52.3109 41.9781 173.1229 170 L 4.8480 9.4525 128.2558 53.1890 45.5947 174.6506 171 E 3.5931 8.7730 127.6596 55.4598 30.4448 175.4386 172 V 4.3095 8.2688 127.2860 61.1543 34.2439 173.9344 173 N 5.0454 9.3311 125.9548 51.0919 39.7165 173.7247 174 L 4.1675 8.1696 123.3848 54.7478 42.8693 176.5957 175 T 4.4599 8.6773 120.1475 62.6438 70.2461 174.1213 176 A 4.2159 8.7180 128.7577 50.7754 17.9483 176.7586 177 W 4.4276 8.6712 122.4769 60.1209 29.9572 177.1931 178 Q 4.6967 7.6447 119.0745 54.6284 32.2718 173.9883 179 Q 4.7008 8.4194 122.8505 53.4198 32.9700 173.3373 180 P 4.4442 0.0000 0.0000 62.9417 31.3668 176.4226 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 G 8.45 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1 H 8.59 4.10 0.00 3.02 2.88 0.00 7.24 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 A 8.11 4.63 1.20 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 0.00 0.00 3 L 8.33 4.34 0.00 1.58 1.56 0.88 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.57 4.20 0.00 1.82 1.60 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.35 1.00 7.81 5 A 8.04 4.66 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 6 T 8.89 4.42 4.45 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 0.97 0.00 0.00 7 I 8.19 4.80 1.82 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 1.32 0.77 0.90 0.00 0.00 8 Y 9.15 4.84 0.00 2.77 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 9 K 8.86 5.10 0.00 1.64 1.65 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.47 7.81 10 A 8.72 4.48 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 T 8.56 4.64 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 1.21 0.00 0.00 12 V 8.88 4.97 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 0.63 0.00 0.00 0.92 0.00 0.00 13 N 9.07 5.49 0.00 2.78 2.68 0.00 0.00 6.46 7.26 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 14 V 9.03 4.83 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 0.84 0.00 0.00 1.07 0.00 0.00 15 A 9.39 4.50 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 16 D 8.64 4.80 0.00 2.48 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.81 4.18 0.00 1.62 1.74 0.96 1.12 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 18 D 8.25 4.44 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 19 R 8.61 4.02 0.00 1.78 1.87 0.00 3.25 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 20 N 7.78 3.90 0.00 2.85 2.98 0.00 0.00 6.71 7.69 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 21 Q 7.54 4.45 0.00 2.01 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.75 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 22 F 8.63 5.41 0.00 2.94 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 23 L 8.93 4.74 0.00 1.76 1.49 0.98 1.36 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 24 D 8.79 5.63 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 25 A 8.90 4.82 1.25 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 0.00 0.00 26 S 8.57 4.96 0.00 3.81 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 27 L 9.13 4.45 0.00 1.38 1.40 -0.02 -1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.35 5.07 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 29 L 8.93 4.56 0.00 1.44 1.20 0.79 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.46 4.95 1.19 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 0.00 0.00 31 R 8.84 4.61 0.00 1.68 2.04 0.00 2.76 0.00 0.00 3.24 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.26 0.00 32 H 8.70 4.71 0.00 3.16 3.11 0.00 5.75 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.17 0.00 1.92 2.05 0.00 2.98 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 1.89 2.00 0.00 34 S 7.97 4.24 0.00 4.02 4.09 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 35 E 8.25 4.39 0.00 1.96 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 2.12 2.14 0.00 36 T 8.19 4.18 4.21 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 1.22 0.00 0.00 37 Q 8.70 3.95 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.06 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 38 E 8.22 3.96 0.00 1.85 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 2.27 2.26 0.00 39 R 7.22 3.61 0.00 1.62 1.67 0.00 3.15 0.00 0.00 3.02 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.31 0.00 *42 L 7.92 3.98 0.00 1.55 1.50 0.83 0.66 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 43 R 7.84 3.83 0.00 1.61 1.72 0.00 2.59 0.00 0.00 2.89 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 44 L 7.65 4.07 0.00 1.62 1.55 0.91 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.78 3.80 0.00 1.63 1.65 0.75 0.82 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 46 A 8.17 3.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 W 8.48 3.95 0.00 3.53 3.38 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 48 L 8.28 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0.00 0.00 0.00 0.00 7.57 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 57 F 8.47 4.95 0.00 2.92 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 58 T 8.20 4.29 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 0.27 0.00 0.00 59 R 8.22 4.38 0.00 1.82 1.63 0.00 3.35 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.18 0.00 *64 D 8.14 4.66 0.00 2.61 2.60 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 65 D 8.52 4.97 0.00 2.83 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 66 E 7.92 4.11 0.00 1.59 1.12 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 2.04 2.12 0.00 67 P 0.00 4.11 0.00 1.62 0.49 0.00 2.42 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.53 0.00 68 E 8.68 4.14 0.00 2.17 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 2.30 2.25 0.00 69 A 7.51 4.92 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 70 W 9.01 5.66 0.00 3.32 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 71 L 8.92 4.82 0.00 1.71 1.55 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.46 4.96 0.00 1.47 1.62 0.00 2.21 0.00 0.00 2.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.10 0.00 73 N 8.68 4.76 0.00 2.92 3.27 0.00 0.00 7.01 7.97 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 74 D 8.58 4.29 0.00 2.69 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.66 4.62 0.00 3.36 3.29 0.00 5.91 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.06 3.71 0.00 1.76 1.74 0.89 0.91 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 77 G 7.58 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.93 4.41 2.17 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 1.02 0.65 1.18 0.00 0.00 79 D 9.30 4.45 0.00 2.72 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 80 L 7.85 5.28 0.00 1.69 1.43 0.72 0.49 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 81 W 9.26 5.10 0.00 3.62 2.85 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 82 I 8.84 5.15 2.01 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 1.07 0.82 1.07 0.00 0.00 83 E 9.60 5.42 0.00 2.53 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 2.36 2.46 0.00 84 L 9.08 5.26 0.00 1.76 1.65 0.89 0.72 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 85 G 9.89 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 119 N 7.06 4.47 0.00 1.66 2.05 0.00 0.00 6.96 8.06 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 0.00 120 Q 7.39 2.52 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 121 S 7.37 4.17 0.00 3.70 3.82 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 0.00 122 K 7.86 4.23 0.00 1.71 1.76 0.00 1.49 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.27 7.81 123 C 7.70 4.38 0.00 3.07 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 0.00 124 V 7.35 3.59 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.90 0.00 0.00 125 Q 7.41 4.07 0.00 1.79 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.63 0.00 0.00 0.00 0.00 0.00 1.26 1.96 0.00 126 F 7.85 4.61 0.00 3.23 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 0.00 127 A 8.76 4.17 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 0.00 128 N 8.25 5.07 0.00 2.92 3.03 0.00 0.00 5.77 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.75 5.05 0.00 1.75 1.94 0.96 1.06 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 0.00 130 S 9.29 4.87 0.00 3.91 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 0.00 131 V 8.16 4.66 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 1.20 0.00 0.00 1.20 0.00 0.00 132 W 8.86 5.05 0.00 2.72 2.83 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 0.00 0.00 0.00 0.00 133 Y 8.51 4.93 0.00 1.43 1.65 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 0.00 0.00 0.00 0.00 134 L 7.28 4.53 0.00 1.40 1.30 0.77 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 135 D 7.91 4.62 0.00 3.00 2.83 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 0.00 0.00 0.00 0.00 136 D 8.92 4.39 0.00 2.75 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 0.00 137 E 8.20 3.96 0.00 2.15 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 2.41 2.43 0.00 138 Q 8.34 3.97 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 139 L 8.07 3.89 0.00 1.80 1.82 0.72 1.20 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 0.00 140 A 7.84 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.07 4.09 0.00 1.99 1.92 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.63 7.81 142 V 8.18 3.67 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 0.87 0.00 0.00 0.90 0.00 0.00 143 S 8.19 4.11 0.00 4.04 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 0.00 144 A 7.61 4.05 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 0.00 145 F 8.04 4.06 0.00 3.11 3.14 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 0.00 146 A 7.36 4.13 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.36 4.77 0.00 2.64 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 0.00 148 R 8.75 3.61 0.00 1.75 1.78 0.00 2.28 0.00 0.00 2.95 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 149 T 7.27 5.08 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 1.20 0.00 0.00 *151 T 8.17 4.27 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 1.23 0.00 0.00 152 L 8.78 5.21 0.00 1.52 1.49 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 9.02 5.08 0.00 2.17 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 154 A 9.53 5.17 1.19 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 0.00 0.00 155 T 8.88 5.04 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 1.36 0.00 0.00 156 I 8.84 5.00 1.78 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.75 0.88 0.00 0.00 157 Q 8.91 4.79 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.28 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 158 D 10.61 4.53 0.00 2.87 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 0.00 159 G 8.33 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 0.00 0.00 0.00 160 V 7.66 3.92 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.89 0.00 0.00 161 I 8.21 4.61 1.67 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.45 0.79 0.00 0.00 162 W 9.25 4.78 0.00 3.43 3.21 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 0.00 163 L 8.85 5.11 0.00 1.50 1.32 0.67 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.85 5.48 0.00 3.86 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 0.00 165 D 8.84 5.60 0.00 2.97 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 0.00 166 D 9.09 4.34 0.00 2.81 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 0.00 167 K 7.72 4.41 0.00 1.67 1.73 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.25 7.81 168 N 9.54 5.19 0.00 2.39 2.60 0.00 0.00 6.31 6.80 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 0.00 169 N 8.59 5.56 0.00 2.76 2.79 0.00 0.00 6.67 7.78 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 0.00 170 L 9.45 4.85 0.00 2.00 1.61 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 171 E 8.77 3.59 0.00 1.28 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.47 0.00 172 V 8.27 4.31 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 0.84 0.00 0.00 0.77 0.00 0.00 173 N 9.33 5.05 0.00 2.44 2.67 0.00 0.00 7.10 7.81 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 0.00 174 L 8.17 4.17 0.00 1.35 1.65 0.67 1.01 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 0.00 175 T 8.68 4.46 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 1.38 0.00 0.00 176 A 8.72 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 W 8.67 4.43 0.00 2.84 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 0.00 0.00 0.00 0.00 178 Q 7.64 4.70 0.00 2.38 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.86 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 179 Q 8.42 4.70 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 180 P 0.00 4.44 0.00 2.07 2.25 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.