NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 L 4.3224 8.1849 122.5035 54.5848 43.1840 176.3889 9 Q 4.0631 8.4842 123.4734 54.2459 29.2665 174.4364 10 S 4.8327 8.4142 110.6653 58.0480 65.1559 173.2741 11 Q 4.6924 7.3438 121.7658 54.5379 31.8818 173.9360 12 F 4.7449 8.7516 123.4322 55.8413 43.5691 174.4138 13 F 4.7425 9.2021 120.7287 55.6717 41.6060 176.3288 14 I 3.6467 8.7637 119.0030 64.8320 37.1268 177.1486 15 E 3.9969 8.2236 116.7839 59.8044 29.6951 178.4850 16 H 4.7726 8.6558 117.4732 58.7578 28.8355 177.7439 17 I 4.0308 7.9658 121.1983 64.5301 36.7396 178.3160 18 L 4.0311 8.1789 119.1802 57.7488 41.2178 179.1010 19 Q 4.1713 8.2190 116.7805 57.3517 28.4892 177.4855 20 I 3.7001 7.4483 118.6607 62.5134 38.8480 176.0877 21 L 4.2611 7.8498 119.5192 53.5485 42.1032 175.5802 22 P 4.3981 0.0000 0.0000 64.3818 32.0234 176.4836 23 H 4.2804 8.0806 116.7645 56.0401 29.2870 174.3997 24 R 4.7648 8.0971 120.6201 54.1741 34.1540 173.6796 25 Y 4.3344 8.6010 119.7223 57.6869 39.3818 174.3811 26 P 3.9438 0.0000 0.0000 62.7684 31.3718 175.5384 27 M 4.5700 8.5404 113.6452 55.6601 33.8663 175.6994 28 L 4.5602 7.9324 121.5125 54.0066 41.9066 176.0458 29 L 4.8361 9.5476 129.7911 54.2846 42.3257 177.0142 30 V 4.5110 7.6654 117.3298 61.4631 34.1553 174.1521 31 D 4.6534 8.8279 127.2155 55.9530 42.2098 176.8556 32 R 4.5087 7.0366 116.0524 54.9102 34.1706 173.6069 33 I 4.6804 8.6378 125.5833 59.9724 38.8407 176.2348 34 T 4.3233 8.7746 117.2468 62.5055 70.7986 175.1371 35 E 4.7914 7.9770 120.5399 54.2635 33.8721 174.6670 36 L 5.0567 8.6487 125.4107 53.6792 45.2933 174.9517 37 Q 4.5710 9.3569 128.1232 53.8226 31.3993 174.2153 38 A 4.0002 8.8094 128.5622 54.0867 18.6196 176.7594 39 N 4.5476 9.3848 118.6352 54.1758 37.4674 173.9005 40 Q 4.7177 8.3470 115.6251 56.4711 31.4513 175.5244 41 K 4.9495 7.7733 115.0876 56.5622 36.2575 173.2194 42 I 5.0975 8.7568 119.7042 59.7761 42.0643 173.3407 43 V 4.9612 9.1336 128.0823 61.2399 34.4298 174.2815 44 A 5.2380 9.0467 128.4967 51.6394 23.4569 173.5419 45 Y 4.7942 8.3550 115.0421 56.2908 42.0035 173.6747 46 K 4.8544 8.7859 121.2519 54.6085 35.3994 175.0682 47 N 4.8898 9.6717 125.7830 53.3095 39.6273 174.4989 48 I 4.5550 8.6245 123.9277 59.9716 39.2549 174.7285 49 T 4.9653 9.0020 121.1498 59.9888 70.3203 173.8050 50 F 4.0279 8.9585 127.7433 61.0603 39.7546 176.4826 51 N 4.9010 7.9577 119.9088 53.6273 38.4372 174.1377 52 E 4.7756 8.6968 116.5348 53.8556 32.5752 176.7962 53 D 4.3086 8.9756 122.9362 57.5773 41.8903 178.3476 54 V 3.3091 7.8417 117.7699 66.3539 30.9638 177.9172 55 F 4.4106 7.4955 116.1046 60.1823 38.3730 177.2377 56 N 4.6132 8.2861 116.1365 55.1842 38.3588 175.7858 57 G 4.0704 7.7094 105.5396 45.4657 0.0000 173.1850 58 H 3.4995 7.6848 117.9925 53.8559 30.0033 171.3945 59 F 5.2435 9.0976 121.8730 54.0164 43.2839 173.0368 60 P 4.4902 0.0000 0.0000 64.5810 31.2832 176.5845 61 N 4.3289 9.3076 117.9670 53.8844 36.6825 175.2971 62 K 4.6197 8.0906 120.1726 54.3825 33.2948 170.8449 63 P 5.0461 0.0000 0.0000 62.3951 32.1778 176.3622 64 I 4.9448 9.0464 125.6186 59.0905 40.5455 175.0728 65 F 4.2950 9.7716 131.2367 57.4155 40.0252 173.2532 66 P 3.8222 0.0000 0.0000 62.8851 31.8636 177.0685 67 G 3.0102 8.5661 110.0833 48.0404 0.0000 175.8752 68 V 3.7898 7.4655 113.9278 64.0208 31.4645 178.3415 69 L 4.0610 7.6479 118.5114 57.1652 41.3634 179.3988 70 I 4.1635 7.6616 120.3408 64.3977 36.9681 178.5310 71 V 3.7515 7.9422 118.8111 65.8067 31.3846 177.4436 72 E 4.2763 8.3542 119.3664 59.4428 29.4971 179.0465 73 G 3.7062 8.3347 107.1961 47.4843 0.0000 175.5607 74 M 3.6499 7.8082 120.7472 57.8407 31.9683 178.7011 75 A 3.8069 8.2390 121.3281 55.2346 18.5317 179.7276 76 Q 3.8665 8.1428 116.7848 58.9810 28.7005 179.2529 77 S 4.1128 7.8122 116.3664 61.4051 62.8625 176.7988 78 G 3.7187 8.2057 108.7112 47.9165 0.0000 175.8051 79 G 3.5627 8.4109 108.8681 47.3945 0.0000 175.5112 80 F 3.9034 8.2374 122.9002 60.6557 39.3714 177.1314 81 L 3.8404 7.9577 119.8676 57.9927 41.8940 178.3921 82 A 2.0000 7.6610 121.0394 54.5050 17.9857 179.3625 83 F 3.9407 7.8772 118.7083 61.6650 39.6052 177.5584 84 T 4.1936 7.5145 110.2731 64.0187 68.1729 176.6795 85 S 4.0807 7.6212 117.8348 61.2777 62.9438 175.8385 86 L 3.9612 7.1892 119.6804 55.4153 41.7031 177.4363 87 W 4.5938 7.5425 115.2324 54.7715 30.7403 176.8728 88 G 3.8861 7.8615 108.9233 44.7034 0.0000 173.0325 89 F 4.5288 8.7811 120.2616 57.5713 37.8229 174.5503 90 D 4.6380 8.0599 124.4830 50.6532 42.5019 173.1267 91 P 4.2179 0.0000 0.0000 64.5364 31.2741 178.1060 92 E 3.8911 7.9530 116.1703 59.5081 29.6888 179.0074 93 I 3.6928 8.1783 119.6589 63.9448 36.9674 178.0781 94 A 3.2382 8.0632 122.0869 54.8005 17.8845 179.1902 95 K 4.1847 7.5441 113.4327 58.0152 32.7344 177.3359 96 T 4.4939 7.5330 110.3549 61.1473 69.1462 174.0029 97 K 4.9047 7.3878 119.8066 56.8305 36.8781 175.0987 98 I 4.6549 8.4640 120.7377 60.3945 42.1595 174.3279 99 V 4.9942 8.2830 123.0518 60.0853 34.1455 174.4294 100 Y 5.0061 8.4155 121.3947 54.8130 41.4313 174.7272 101 F 4.3948 9.2838 120.8740 58.8237 39.1363 174.2815 102 M 4.8165 9.4075 123.3840 57.0051 33.6354 176.2364 103 T 4.8641 7.7473 106.2359 60.7146 72.5727 172.4080 104 I 5.2064 8.1479 121.7314 60.1120 41.3460 174.0087 105 D 4.5927 9.6934 124.1065 52.7575 45.4252 174.4301 106 K 3.9472 8.4929 118.2675 57.1091 29.8850 175.4078 107 V 4.7516 7.4770 116.4562 60.2369 33.0250 175.7421 108 K 4.3905 8.2201 122.6001 54.4894 36.1610 175.1568 109 F 5.1460 8.7064 123.0564 56.4042 39.4003 175.3385 110 R 4.3656 8.9410 123.8976 57.8722 30.9408 177.8157 111 I 4.6792 7.6226 117.7495 58.2994 40.6546 173.2449 112 P 4.5041 0.0000 0.0000 63.0553 32.2147 175.5570 113 V 4.6746 8.5523 122.5395 61.7776 33.6277 174.5140 114 T 5.0880 9.0714 116.8628 58.7840 72.8793 171.4526 115 P 4.5126 0.0000 0.0000 64.6447 31.6048 176.8989 116 G 4.0506 9.0607 111.3175 45.1990 0.0000 173.5834 117 D 4.5575 8.0332 119.9615 53.9264 42.5161 175.9542 118 R 4.5019 8.3187 122.8525 54.5250 30.7442 175.0835 119 L 4.0415 8.4523 129.7128 54.5561 42.8880 174.7831 120 E 4.7521 9.3060 129.0735 55.0529 31.6883 174.0750 121 Y 5.2975 9.3676 125.7674 56.8401 40.5709 174.3690 122 H 5.1656 9.6123 121.4491 54.1978 31.7783 172.6022 123 L 5.5216 9.0272 123.6834 52.6907 45.5535 175.7795 124 E 5.1193 8.9932 119.4320 54.3772 33.3634 175.0146 125 V 4.0303 8.9236 122.7825 63.0252 31.3190 175.7975 126 L 4.3135 9.2509 129.6182 57.3761 42.4279 177.4713 127 K 4.4044 7.8044 116.1007 56.0101 35.4340 173.7654 128 H 4.7526 8.1719 120.2049 54.2699 31.3977 173.2310 129 K 4.0278 8.8067 123.9777 55.5719 34.6385 176.4200 130 G 3.7974 8.0100 118.7639 47.4745 0.0000 173.9586 131 M 4.4697 8.7505 125.4250 55.5977 32.3905 174.8021 132 I 4.8946 7.8218 121.8547 59.7726 38.8424 174.6766 133 W 5.0192 9.1969 127.4282 54.6761 32.6860 174.6376 134 Q 4.9553 9.7745 126.3889 54.6987 30.7082 174.6281 135 V 5.0272 8.7127 119.7489 59.9763 35.7802 174.9899 136 G 4.3420 8.0757 107.6192 45.0923 0.0000 173.6519 137 G 4.8857 8.0793 107.7241 46.0098 0.0000 171.1868 138 T 5.3126 7.8420 111.4653 60.0515 73.4465 172.8114 139 A 5.3238 9.0338 122.7175 50.3460 21.8461 175.4023 140 Q 5.1277 9.7043 121.5531 54.0513 33.5722 174.9171 141 V 4.4868 8.2335 120.6399 61.3241 34.5579 175.1292 142 D 4.3170 9.5569 129.4054 55.5056 39.2816 173.7423 143 G 3.9315 8.0873 102.7140 45.8988 0.0000 172.7947 144 K 4.5397 7.6218 119.3750 53.9095 34.3597 175.7969 145 V 4.1829 8.3803 123.2755 63.2326 31.9396 175.7790 146 V 4.4637 8.5390 119.8492 61.7797 33.7790 175.3289 147 A 5.1298 7.5810 119.7864 51.2493 22.4010 174.9508 148 E 5.1818 8.6620 118.1632 54.9686 34.2986 174.6903 149 A 4.8017 8.2499 121.2201 51.5887 23.6849 175.1044 150 E 5.2490 8.7864 118.7114 54.5527 33.5270 175.1942 151 L 5.2246 9.1546 123.1410 54.2809 44.7401 174.4953 152 K 5.1394 9.2445 121.3982 54.8013 35.3279 174.7609 153 A 5.1384 9.0680 127.6327 50.4913 23.5055 173.9735 154 M 5.7284 8.1289 117.1135 53.1838 36.0478 173.7108 155 I 4.8059 8.4103 125.4185 59.9689 38.8891 174.8144 156 A 4.8965 9.4603 128.3174 50.0236 23.0598 176.7332 157 E 4.3661 8.6279 120.5133 56.6945 30.8191 178.4466 *158 R 4.1399 8.4046 117.6278 57.2622 30.1611 171.0373 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 8 L 8.18 4.32 0.00 1.73 1.79 1.13 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.48 4.06 0.00 1.26 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.65 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 10 S 8.41 4.83 0.00 3.96 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 11 Q 7.34 4.69 0.00 1.90 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 1.59 2.41 0.00 12 F 8.75 4.74 0.00 2.82 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 13 F 9.20 4.74 0.00 3.09 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 14 I 8.76 3.65 1.91 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 1.72 1.51 0.97 0.00 0.00 15 E 8.22 4.00 0.00 2.15 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 0.00 2.30 2.12 0.00 16 H 8.66 4.77 0.00 3.67 3.72 0.00 5.82 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 17 I 7.97 4.03 2.01 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.73 0.90 0.00 0.00 18 L 8.18 4.03 0.00 1.82 1.77 0.95 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.22 4.17 0.00 2.58 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.60 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 20 I 7.45 3.70 1.94 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.78 0.29 0.00 0.00 21 L 7.85 4.26 0.00 1.77 1.67 0.88 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.40 0.00 2.07 2.05 0.00 3.78 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 23 H 8.08 4.28 0.00 3.12 3.44 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.10 4.76 0.00 1.81 1.87 0.00 3.33 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.54 0.00 25 Y 8.60 4.33 0.00 2.96 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 26 P 0.00 3.94 0.00 1.61 0.63 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 27 M 8.54 4.57 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 28 L 7.93 4.56 0.00 1.66 1.64 0.95 1.03 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 29 L 9.55 4.84 0.00 1.66 1.83 0.98 -0.20 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 30 V 7.67 4.51 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 0.77 0.00 0.00 0.85 0.00 0.00 31 D 8.83 4.65 0.00 2.32 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.04 4.51 0.00 1.44 0.86 0.00 3.24 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.23 0.00 33 I 8.64 4.68 2.04 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.27 0.87 0.00 0.00 34 T 8.77 4.32 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 1.33 0.00 0.00 35 E 7.98 4.79 0.00 1.91 1.86 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 2.31 2.30 0.00 36 L 8.65 5.06 0.00 1.78 1.74 1.05 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 9.36 4.57 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.61 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 38 A 8.81 4.00 1.30 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 0.00 0.00 39 N 9.38 4.55 0.00 2.88 2.91 0.00 0.00 6.84 7.23 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 40 Q 8.35 4.72 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 41 K 7.77 4.95 0.00 1.93 1.93 0.00 1.55 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.47 7.81 42 I 8.76 5.10 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.44 0.95 0.00 0.00 43 V 9.13 4.96 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 0.82 0.00 0.00 0.99 0.00 0.00 44 A 9.05 5.24 1.28 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 0.00 0.00 0.00 45 Y 8.36 4.79 0.00 2.92 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 46 K 8.79 4.85 0.00 2.09 1.59 0.00 1.95 0.00 0.00 1.45 0.00 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.27 1.41 7.81 47 N 9.67 4.89 0.00 2.66 2.78 0.00 0.00 6.95 7.41 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 48 I 8.62 4.55 1.91 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.82 1.02 0.00 0.00 49 T 9.00 4.97 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 50 F 8.96 4.03 0.00 3.07 3.06 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 51 N 7.96 4.90 0.00 2.80 2.89 0.00 0.00 6.99 8.32 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 52 E 8.70 4.78 0.00 2.01 1.74 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 2.30 2.53 0.00 53 D 8.98 4.31 0.00 2.81 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 54 V 7.84 3.31 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 0.55 0.00 0.00 0.64 0.00 0.00 55 F 7.50 4.41 0.00 3.00 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 56 N 8.29 4.61 0.00 2.79 2.89 0.00 0.00 6.73 7.57 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 57 G 7.71 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 0.00 0.00 0.00 58 H 7.68 3.50 0.00 2.73 2.75 0.00 5.53 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 9.10 5.24 0.00 3.12 2.90 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 60 P 0.00 4.49 0.00 2.12 2.09 0.00 4.05 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 2.12 2.36 0.00 61 N 9.31 4.33 0.00 2.92 2.96 0.00 0.00 6.79 7.61 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 62 K 8.09 4.62 0.00 1.85 1.76 0.00 1.56 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.53 7.81 63 P 0.00 5.05 0.00 1.39 1.98 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.09 0.00 64 I 9.05 4.94 2.13 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.10 1.08 0.00 0.00 65 F 9.77 4.29 0.00 3.14 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 66 P 0.00 3.82 0.00 1.62 1.47 0.00 2.53 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.15 0.00 67 G 8.57 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 0.00 0.00 0.00 68 V 7.47 3.79 2.01 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 0.79 0.00 0.00 0.76 0.00 0.00 69 L 7.65 4.06 0.00 1.02 1.34 0.38 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.66 4.16 2.38 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 1.83 1.01 1.23 0.00 0.00 71 V 7.94 3.75 2.34 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 1.24 0.00 0.00 1.18 0.00 0.00 72 E 8.35 4.28 0.00 2.29 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 2.34 2.42 0.00 73 G 8.33 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 74 M 7.81 3.65 0.00 2.12 2.32 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.80 0.00 75 A 8.24 3.81 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.14 3.87 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 1.92 2.34 0.00 77 S 7.81 4.11 0.00 3.91 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 78 G 8.21 3.72 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 0.00 0.00 0.00 79 G 8.41 3.56 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 0.00 80 F 8.24 3.90 0.00 3.19 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.96 3.84 0.00 1.83 1.77 1.03 0.98 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 82 A 7.66 2.00 0.19 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 83 F 7.88 3.94 0.00 2.99 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 84 T 7.51 4.19 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 85 S 7.62 4.08 0.00 3.89 4.11 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 86 L 7.19 3.96 0.00 0.91 0.13 1.01 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 87 W 7.54 4.59 0.00 2.30 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 88 G 7.86 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 89 F 8.78 4.53 0.00 3.22 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 90 D 8.06 4.64 0.00 2.93 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 91 P 0.00 4.22 0.00 2.05 1.90 0.00 3.71 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.17 0.00 92 E 7.95 3.89 0.00 2.01 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 2.27 2.31 0.00 93 I 8.18 3.69 1.69 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.76 -0.09 0.00 0.00 94 A 8.06 3.24 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.54 4.18 0.00 1.87 1.82 0.00 1.52 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.63 1.35 7.81 96 T 7.53 4.49 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 1.20 0.00 0.00 97 K 7.39 4.90 0.00 1.50 1.66 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.57 0.00 0.00 2.14 0.00 0.00 0.00 0.00 1.34 1.44 7.81 98 I 8.46 4.65 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 1.23 0.68 0.94 0.00 0.00 99 V 8.28 4.99 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 0.74 0.00 0.00 0.80 0.00 0.00 100 Y 8.42 5.01 0.00 3.00 3.08 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 0.00 101 F 9.28 4.39 0.00 3.04 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 0.00 102 M 9.41 4.82 0.00 1.95 2.31 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.66 0.00 103 T 7.75 4.86 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 1.27 0.00 0.00 104 I 8.15 5.21 1.85 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.60 0.99 0.00 0.00 105 D 9.69 4.59 0.00 2.64 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.49 3.95 0.00 1.87 1.81 0.00 2.07 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.40 7.81 107 V 7.48 4.75 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 0.75 0.00 0.00 0.22 0.00 0.00 108 K 8.22 4.39 0.00 1.61 1.64 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.35 7.81 109 F 8.71 5.15 0.00 2.97 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 0.00 110 R 8.94 4.37 0.00 1.78 2.03 0.00 3.14 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 111 I 7.62 4.68 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.66 0.95 0.00 0.00 112 P 0.00 4.50 0.00 2.15 2.12 0.00 3.80 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 2.04 2.02 0.00 113 V 8.55 4.67 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.06 0.00 0.00 114 T 9.07 5.09 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 115 P 0.00 4.51 0.00 2.00 2.13 0.00 3.49 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.23 0.00 116 G 9.06 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 0.00 117 D 8.03 4.56 0.00 2.77 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.32 4.50 0.00 1.70 1.73 0.00 2.95 0.00 0.00 2.88 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.39 0.00 119 L 8.45 4.04 0.00 1.62 1.42 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.31 4.75 0.00 1.94 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 2.14 2.34 0.00 121 Y 9.37 5.30 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 0.00 122 H 9.61 5.17 0.00 3.07 3.26 0.00 5.55 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 9.03 5.52 0.00 1.57 1.56 0.99 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.99 5.12 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 2.41 2.26 0.00 125 V 8.92 4.03 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 0.83 0.00 0.00 1.25 0.00 0.00 126 L 9.25 4.31 0.00 1.69 1.71 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 127 K 7.80 4.40 0.00 1.72 1.52 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.77 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.20 1.21 7.81 128 H 8.17 4.75 0.00 1.40 2.15 0.00 5.75 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 0.00 129 K 8.81 4.03 0.00 1.52 1.53 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.25 1.26 7.81 130 G 8.01 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 0.00 0.00 0.00 131 M 8.75 4.47 0.00 2.39 2.19 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.62 0.00 132 I 7.82 4.89 1.96 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 1.24 0.67 0.91 0.00 0.00 133 W 9.20 5.02 0.00 3.21 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 0.00 134 Q 9.77 4.96 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 135 V 8.71 5.03 2.15 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 0.82 0.00 0.00 0.96 0.00 0.00 136 G 8.08 4.34 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 0.00 137 G 8.08 4.89 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 0.00 138 T 7.84 5.31 4.36 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 1.24 0.00 0.00 139 A 9.03 5.32 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 0.00 140 Q 9.70 5.13 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 141 V 8.23 4.49 2.09 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 0.92 0.00 0.00 0.92 0.00 0.00 142 D 9.56 4.32 0.00 2.76 2.62 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 0.00 143 G 8.09 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 0.00 0.00 0.00 144 K 7.62 4.54 0.00 1.94 1.70 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.49 7.81 145 V 8.38 4.18 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 0.88 0.00 0.00 0.93 0.00 0.00 146 V 8.54 4.46 2.40 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 0.81 0.00 0.00 1.07 0.00 0.00 147 A 7.58 5.13 1.43 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 0.00 148 E 8.66 5.18 0.00 1.84 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 2.23 2.24 0.00 149 A 8.25 4.80 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 0.00 150 E 8.79 5.25 0.00 2.13 1.84 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 2.24 2.24 0.00 151 L 9.15 5.22 0.00 2.10 1.94 0.79 0.92 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 0.00 152 K 9.24 5.14 0.00 1.86 1.72 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.35 1.55 7.81 153 A 9.07 5.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 8.13 5.73 0.00 1.06 1.59 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.15 0.00 155 I 8.41 4.81 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.70 1.10 0.00 0.00 156 A 9.46 4.90 1.43 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 0.00 157 E 8.63 4.37 0.00 2.00 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 2.35 2.28 0.00 *158 R 8.40 4.14 0.00 1.55 1.72 0.00 3.17 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.68 0.00 * Residues marked with a * may have inaccurate shift predictions.