NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 M 4.0906 8.1633 120.5851 55.2874 34.1571 174.0068 15 R 4.5128 8.9771 126.1567 54.7893 31.4297 173.7347 16 I 4.8419 8.9013 126.3293 59.2473 40.6907 174.2551 17 L 4.8597 8.9125 129.3109 53.6240 44.2196 174.4511 18 M 5.0171 8.9443 126.9870 53.9622 34.1115 174.5380 19 L 5.0805 8.7520 125.3907 51.1114 46.6237 175.8345 20 G 3.6033 7.6738 108.6515 45.7113 0.0000 172.0857 21 L 5.0045 7.7505 119.9941 53.4411 43.0680 176.8176 22 D 4.4358 8.5469 120.0658 54.9136 39.6946 176.4474 23 A 3.6827 8.7520 122.4027 52.6785 16.2067 178.7159 24 A 3.9564 7.5809 121.9759 55.2493 18.6155 178.9653 25 G 3.9838 8.4146 104.2166 45.7897 0.0000 175.8494 26 K 3.7272 8.3665 121.2001 59.5721 31.9875 179.0566 27 T 3.8163 7.7550 115.2125 67.0099 68.3714 176.5453 28 T 2.6274 7.5743 116.8688 66.2813 68.4435 176.5396 29 I 3.3299 7.5498 121.7366 64.2199 37.1421 178.4906 30 L 3.7575 7.6833 119.9857 57.8589 41.3631 179.2325 31 Y 4.2594 7.9346 117.7438 59.7765 38.0279 178.0078 32 K 3.9635 7.9290 121.7512 59.2569 32.0534 178.8022 33 L 3.9000 7.9813 118.8848 57.5259 41.8604 179.1336 34 K 4.1813 8.0402 119.4328 59.6300 31.9914 178.9629 35 L 4.2214 8.1546 118.2823 57.6332 41.5880 179.4225 36 G 3.8538 8.0929 104.4678 45.9334 0.0000 173.8589 37 Q 4.2806 7.5293 120.8278 55.1243 29.3738 176.3588 38 S 4.2686 8.5024 117.4913 58.6476 64.1902 174.9849 39 V 3.9708 7.9346 116.4432 61.0561 30.5314 176.1330 *54 Y 4.5278 7.3417 111.6158 57.5175 39.8086 178.3152 55 K 3.9896 8.4401 123.2693 59.3215 32.4156 176.8477 56 N 4.7199 7.9712 113.1275 53.0212 38.9151 174.7853 57 V 3.9275 7.3919 119.3925 62.4335 32.4901 175.3447 58 K 4.6392 8.7895 126.9471 54.5454 34.9711 175.0543 59 F 5.5716 8.7961 122.1183 55.8307 42.1307 174.2067 60 N 5.3924 8.9975 119.8556 51.5980 42.1363 173.9629 61 V 5.2235 8.4822 120.0294 59.8814 34.0495 173.8067 62 W 5.1902 7.9374 119.0175 55.5080 31.4076 173.0844 63 D 4.8796 8.8979 120.7817 54.3937 41.0606 176.0881 64 V 4.6184 8.7216 114.8733 60.4370 35.8018 175.6094 65 G 4.2947 8.8873 107.1314 44.7150 0.0000 174.0731 66 G 3.7315 8.7580 107.6345 48.5009 0.0000 174.3463 67 Q 4.4913 7.9118 116.4342 55.4654 28.9312 174.9020 68 D 4.7047 8.0471 119.0233 54.0633 41.5760 176.8933 69 K 4.2277 8.7770 125.5547 58.4973 32.2435 177.6636 70 I 4.5370 8.4744 119.4774 62.4251 39.1547 176.4807 71 R 4.1805 8.1829 117.7881 55.7516 30.3884 174.6208 72 P 4.7352 0.0000 0.0000 62.9004 32.2626 176.6714 73 L 3.8474 7.7659 118.9673 56.7915 41.6442 176.4657 74 W 5.2264 7.7086 115.1543 54.9927 33.0364 174.2593 75 R 4.7215 8.3997 117.7919 54.7936 31.9785 176.0015 76 H 4.3642 8.4550 117.4695 55.2370 29.7826 174.2055 77 Y 4.7938 7.5621 118.0427 55.7530 40.0067 175.1525 78 Y 4.7190 8.6056 118.8170 57.7660 38.8311 175.3932 79 T 4.2483 8.2580 116.7521 65.7830 68.7662 174.4371 80 G 4.0393 9.0526 113.9909 45.5776 0.0000 173.7628 81 T 3.9601 7.6934 117.1314 64.1991 69.0614 173.8159 82 Q 4.5194 9.1651 125.3742 56.4734 31.3977 175.9411 83 G 4.4285 7.8057 104.6187 44.2310 0.0000 171.2298 84 L 5.2896 9.1999 125.2516 52.9942 45.1887 174.9705 85 I 4.8926 9.0475 127.3086 59.6685 39.7216 174.2645 86 F 4.9209 9.2617 131.0958 56.5029 41.0459 174.2542 87 V 4.7574 8.0763 127.5603 61.5983 32.7596 175.4145 88 V 4.4559 8.4588 120.7354 59.3980 35.3678 174.3572 89 D 4.6657 8.5978 124.8729 53.9685 41.8153 176.4902 90 C 4.3283 9.3127 124.3197 61.1609 28.4539 174.9156 91 A 4.4659 8.2830 121.8040 52.2906 19.4815 177.5546 92 D 4.7167 7.5723 118.0534 52.4817 39.3597 176.9783 93 R 4.0190 7.8226 122.2148 58.8497 30.8743 179.1570 94 D 4.4658 8.1437 116.6186 56.5025 41.1105 177.0802 95 R 4.5828 7.8347 115.9030 55.5963 31.1638 177.3717 96 I 3.7036 7.5780 119.3714 64.2317 37.7865 177.6518 97 D 4.3371 8.0432 119.3956 57.2242 40.7273 178.1241 98 E 3.9298 8.1836 119.1478 59.1743 29.6492 178.4834 99 A 4.1947 8.2318 120.8982 55.1673 18.4620 179.4544 100 R 3.7002 8.3164 117.5175 59.8191 30.2528 178.7598 101 Q 4.0074 8.2009 117.7145 58.9786 28.6744 178.7710 102 E 4.0063 8.3876 119.6320 59.1572 29.5503 178.8505 103 L 3.3385 7.7573 120.5852 58.6046 41.7675 178.9875 104 H 4.0791 7.7145 114.3250 58.4636 28.5107 177.6162 105 R 4.0297 7.9098 120.5648 59.3990 29.9616 178.6365 106 I 3.5547 7.7838 119.8043 64.3215 36.9781 178.4548 107 I 3.7853 7.4045 111.6416 63.0807 37.5248 176.9653 108 N 4.5541 7.4463 115.5521 53.1150 39.2821 174.9003 109 D 4.4578 7.3844 121.5791 53.8256 42.0623 176.5585 110 R 3.9255 8.9884 125.7581 60.0306 29.7758 178.3944 111 E 4.2392 8.4770 115.5452 58.2211 29.8225 177.8763 112 M 4.4892 7.9857 118.2216 55.2263 32.4736 177.6766 113 R 4.0864 7.7616 118.6850 58.2442 30.3019 176.7457 114 D 4.7525 7.8807 115.8261 53.8300 42.1970 176.3247 115 A 4.3756 7.6191 121.9173 52.1441 18.9924 177.6098 116 I 4.1040 8.5252 123.5622 61.2718 38.9122 175.1414 117 I 5.0036 9.1341 127.3253 59.6093 39.7245 174.1196 118 L 5.0476 9.2517 130.2752 53.3776 44.4054 174.8677 119 I 4.8247 8.7441 127.6868 59.7980 39.4376 174.7083 120 F 4.9448 8.8411 126.8105 56.5942 40.1862 175.4963 121 A 4.9821 9.0475 128.7939 50.9637 17.2988 175.9799 122 N 4.8991 8.8586 120.6148 52.4392 41.3703 174.2356 123 K 4.3258 8.4259 117.7092 57.6865 29.0150 178.0466 124 Q 4.2072 8.0839 118.4747 57.8775 28.9571 177.8313 125 D 4.4731 7.9653 117.8197 55.5212 40.0702 176.5517 126 L 4.2163 7.7919 120.7782 53.4451 42.2504 174.7037 127 P 4.2651 0.0000 0.0000 63.8944 31.7357 175.6521 128 D 4.3750 8.9102 119.9654 54.9785 39.6004 173.3458 129 A 4.3281 7.4814 118.2227 51.5110 19.1303 178.3296 130 M 4.1923 8.8182 121.3017 55.3984 32.6468 177.0528 131 K 4.4186 8.6345 122.6937 55.1747 33.8052 176.1038 132 P 4.1447 0.0000 0.0000 66.5012 30.9523 178.7487 133 H 4.1893 8.0571 114.2913 58.6966 28.5878 177.3471 134 E 3.9474 8.1218 120.8245 59.1507 29.4916 178.5641 135 I 3.6303 7.8623 119.9954 64.3715 37.1917 177.8009 136 Q 3.7456 8.1442 120.4309 59.3292 28.8298 178.5242 137 E 3.8774 7.8723 119.9010 59.3606 29.5589 178.9582 138 K 4.0597 8.2441 117.3622 58.5844 32.1717 178.3610 139 L 4.3828 7.9991 117.3088 53.3296 42.1013 176.4515 140 G 3.8945 7.8120 107.2391 46.3553 0.0000 176.3719 141 L 3.4025 7.6518 121.9486 57.0896 41.7148 180.1447 142 T 4.0608 7.7314 108.0534 64.2327 68.6443 174.9261 143 R 4.1414 7.4438 116.3147 56.3979 29.8330 176.6491 144 I 4.1201 7.5946 121.1348 60.5650 36.2217 175.1210 145 R 4.7234 8.2151 121.4393 55.1915 31.6627 175.2913 146 D 4.5354 8.9071 116.5176 54.7108 38.2956 174.0692 147 R 4.6683 7.7658 112.4935 54.9684 32.2880 173.9026 148 N 4.8395 8.8733 119.8474 53.0334 39.6641 174.0353 149 W 6.3000 8.2319 119.1925 55.2828 31.8506 173.3596 150 Y 4.5062 8.3004 120.2068 56.3032 41.7238 173.1619 151 V 4.5037 7.4929 125.4408 61.1403 33.4248 174.2505 152 Q 4.5414 8.8606 130.3174 53.3453 30.6850 172.8761 153 P 5.0425 0.0000 0.0000 63.1029 32.7715 175.3899 154 S 4.7689 9.0212 116.0247 57.3615 67.3632 172.7153 155 C 4.7948 8.8197 120.3889 57.4325 32.8773 174.2828 156 A 3.8242 8.5471 130.1453 54.9344 18.3634 178.9168 157 T 3.9360 7.8183 105.5233 64.0228 68.9912 175.3044 158 S 4.4009 8.0733 114.4788 57.8688 64.1597 175.0374 159 G 3.9101 8.1767 110.0260 44.9363 0.0000 173.0231 160 D 4.4250 7.5376 120.0936 55.6849 41.3249 177.7804 161 G 4.3527 9.0328 111.3309 46.7258 0.0000 175.4821 162 L 3.8606 7.7485 120.1093 58.2837 41.6231 179.0237 163 Y 3.9191 8.0448 116.0606 60.8017 37.9321 178.0812 164 E 4.2444 8.5381 119.5047 59.4241 29.6426 179.5323 165 G 3.7257 8.4887 105.6785 47.8513 0.0000 175.6289 166 L 4.1017 8.1631 123.2829 58.0395 41.9365 179.1923 167 T 4.1317 8.8638 116.2457 66.2645 68.3833 176.3552 168 W 3.8788 8.2478 130.2563 60.2440 30.5671 177.7556 169 L 3.7757 8.1987 120.3884 58.4896 41.5718 179.1198 170 T 3.9712 8.1629 109.8300 64.9445 68.5226 176.7289 171 S 4.0368 8.1477 117.5745 61.2168 62.9183 175.9414 172 N 4.1623 7.6222 117.8427 55.2328 38.2001 176.1415 173 Y 4.1925 7.2696 120.6358 57.9198 39.1930 175.0941 174 K 4.1715 8.0740 123.2482 56.4299 32.6687 175.9334 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 14 M 8.16 4.09 0.00 1.81 1.42 0.00 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 2.14 0.00 15 R 8.98 4.51 0.00 1.86 1.82 0.00 3.14 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 16 I 8.90 4.84 1.72 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.41 1.11 0.00 0.00 17 L 8.91 4.86 0.00 1.66 1.46 -0.01 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 18 M 8.94 5.02 0.00 1.92 1.82 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 19 L 8.75 5.08 0.00 1.50 1.35 0.95 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.67 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.75 5.00 0.00 1.59 1.60 0.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.55 4.44 0.00 2.78 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 23 A 8.75 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.58 3.96 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 25 G 8.41 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.37 3.73 0.00 1.70 1.74 0.00 1.51 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.38 7.81 27 T 7.76 3.82 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 1.35 0.00 0.00 28 T 7.57 2.63 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 29 I 7.55 3.33 1.69 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.30 0.51 0.00 0.00 30 L 7.68 3.76 0.00 1.69 1.56 0.73 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 7.93 4.26 0.00 3.00 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 32 K 7.93 3.96 0.00 1.77 1.64 0.00 1.56 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.50 7.81 33 L 7.98 3.90 0.00 1.60 1.56 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.04 4.18 0.00 1.99 2.10 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.54 7.81 35 L 8.15 4.22 0.00 1.88 1.79 1.10 0.94 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 36 G 8.09 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.53 4.28 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.83 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 38 S 8.50 4.27 0.00 3.98 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 39 V 7.93 3.97 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 0.75 0.00 0.00 0.94 0.00 0.00 *54 Y 7.34 4.53 0.00 3.16 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 55 K 8.44 3.99 0.00 1.74 1.86 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.50 7.81 56 N 7.97 4.72 0.00 2.74 2.83 0.00 0.00 6.86 7.68 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 57 V 7.39 3.93 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 -0.25 0.00 0.00 0.92 0.00 0.00 58 K 8.79 4.64 0.00 1.61 1.63 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.32 7.81 59 F 8.80 5.57 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 9.00 5.39 0.00 2.60 2.80 0.00 0.00 6.30 7.84 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 61 V 8.48 5.22 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 0.82 0.00 0.00 0.84 0.00 0.00 62 W 7.94 5.19 0.00 3.30 3.28 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 63 D 8.90 4.88 0.00 2.68 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 64 V 8.72 4.62 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 1.07 0.00 0.00 1.09 0.00 0.00 65 G 8.89 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 0.00 0.00 0.00 0.00 66 G 8.76 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 0.00 0.00 0.00 67 Q 7.91 4.49 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 68 D 8.05 4.70 0.00 2.90 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 69 K 8.78 4.23 0.00 1.75 1.85 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.49 7.81 70 I 8.47 4.54 1.78 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.13 0.83 0.00 0.00 71 R 8.18 4.18 0.00 1.88 1.93 0.00 3.65 0.00 0.00 3.42 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.70 0.00 72 P 0.00 4.74 0.00 2.15 2.16 0.00 3.72 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 1.87 1.96 0.00 73 L 7.77 3.85 0.00 0.91 0.96 0.73 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 74 W 7.71 5.23 0.00 3.30 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 75 R 8.40 4.72 0.00 1.89 1.98 0.00 3.29 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 76 H 8.45 4.36 0.00 2.70 2.61 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 7.56 4.79 0.00 3.05 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 78 Y 8.61 4.72 0.00 3.22 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 79 T 8.26 4.25 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 1.30 0.00 0.00 80 G 9.05 4.04 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 0.00 0.00 0.00 81 T 7.69 3.96 4.37 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 1.25 0.00 0.00 82 Q 9.17 4.52 0.00 1.83 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 83 G 7.81 4.43 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 0.00 84 L 9.20 5.29 0.00 1.72 1.53 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 85 I 9.05 4.89 1.92 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.75 1.00 0.00 0.00 86 F 9.26 4.92 0.00 3.08 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 87 V 8.08 4.76 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 0.73 0.00 0.00 0.95 0.00 0.00 88 V 8.46 4.46 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 1.00 0.00 0.00 89 D 8.60 4.67 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 90 C 9.31 4.33 0.00 3.13 3.18 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 91 A 8.28 4.47 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 7.57 4.72 0.00 2.97 2.67 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 0.00 0.00 0.00 0.00 93 R 7.82 4.02 0.00 1.91 1.96 0.00 3.18 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 94 D 8.14 4.47 0.00 2.79 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 7.83 4.58 0.00 1.95 1.91 0.00 3.31 0.00 0.00 3.10 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 96 I 7.58 3.70 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.98 0.00 0.00 97 D 8.04 4.34 0.00 2.81 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 98 E 8.18 3.93 0.00 2.06 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 0.00 2.44 2.42 0.00 99 A 8.23 4.19 1.53 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 0.00 100 R 8.32 3.70 0.00 1.95 2.11 0.00 3.29 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 1.61 1.75 0.00 101 Q 8.20 4.01 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 102 E 8.39 4.01 0.00 2.17 2.20 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 2.42 2.66 0.00 103 L 7.76 3.34 0.00 0.51 1.33 0.23 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 104 H 7.71 4.08 0.00 3.13 3.29 0.00 5.71 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.91 4.03 0.00 2.06 2.08 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 106 I 7.78 3.55 1.91 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 1.71 0.54 0.68 0.00 0.00 107 I 7.40 3.79 1.80 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 1.56 0.45 0.80 0.00 0.00 108 N 7.45 4.55 0.00 2.84 2.90 0.00 0.00 6.91 7.94 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 0.00 109 D 7.38 4.46 0.00 2.57 2.39 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 0.00 110 R 8.99 3.93 0.00 1.96 2.00 0.00 3.28 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.79 0.00 111 E 8.48 4.24 0.00 2.35 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 0.00 2.48 2.66 0.00 112 M 7.99 4.49 0.00 1.89 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.49 0.00 113 R 7.76 4.09 0.00 1.79 2.02 0.00 3.15 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 114 D 7.88 4.75 0.00 2.68 2.73 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 0.00 115 A 7.62 4.38 1.27 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 0.00 0.00 0.00 116 I 8.53 4.10 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.62 0.90 0.00 0.00 117 I 9.13 5.00 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.14 0.93 0.00 0.00 118 L 9.25 5.05 0.00 1.94 1.54 0.81 0.31 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 0.00 119 I 8.74 4.82 1.80 0.00 0.00 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 1.19 0.65 0.94 0.00 0.00 120 F 8.84 4.94 0.00 2.96 2.84 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 0.00 121 A 9.05 4.98 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.86 4.90 0.00 2.80 2.77 0.00 0.00 7.09 7.35 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 0.00 123 K 8.43 4.33 0.00 2.00 1.88 0.00 2.33 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.35 7.81 124 Q 8.08 4.21 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.02 0.00 0.00 0.00 0.00 0.00 2.68 2.44 0.00 125 D 7.97 4.47 0.00 2.81 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 0.00 126 L 7.79 4.22 0.00 1.84 1.61 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.27 0.00 2.03 1.98 0.00 3.80 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 128 D 8.91 4.37 0.00 2.77 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 0.00 129 A 7.48 4.33 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 0.00 130 M 8.82 4.19 0.00 1.85 2.01 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.66 0.00 131 K 8.63 4.42 0.00 1.69 1.72 0.00 1.70 0.00 0.00 1.98 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.42 7.81 132 P 0.00 4.14 0.00 1.98 1.95 0.00 3.55 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 133 H 8.06 4.19 0.00 3.24 3.35 0.00 5.81 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.12 3.95 0.00 2.03 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 0.00 2.36 2.39 0.00 135 I 7.86 3.63 1.96 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 1.57 0.79 0.86 0.00 0.00 136 Q 8.14 3.75 0.00 2.11 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 137 E 7.87 3.88 0.00 2.01 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 2.28 2.33 0.00 138 K 8.24 4.06 0.00 1.71 1.83 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.60 7.81 139 L 8.00 4.38 0.00 1.48 1.48 0.83 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.81 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 0.00 141 L 7.65 3.40 0.00 0.74 0.13 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 142 T 7.73 4.06 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 1.29 0.00 0.00 143 R 7.44 4.14 0.00 1.91 2.04 0.00 2.96 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.49 0.00 144 I 7.59 4.12 1.82 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.44 1.02 0.00 0.00 145 R 8.22 4.72 0.00 1.94 1.95 0.00 3.21 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 146 D 8.91 4.54 0.00 2.89 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 0.00 147 R 7.77 4.67 0.00 2.02 1.94 0.00 3.08 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 148 N 8.87 4.84 0.00 2.89 3.02 0.00 0.00 6.64 7.68 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 0.00 149 W 8.23 6.30 0.00 3.32 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 0.00 150 Y 8.30 4.51 0.00 1.43 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 0.00 151 V 7.49 4.50 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 0.71 0.00 0.00 0.93 0.00 0.00 152 Q 8.86 4.54 0.00 2.16 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.66 2.56 0.00 153 P 0.00 5.04 0.00 2.16 2.14 0.00 3.70 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 2.08 1.94 0.00 154 S 9.02 4.77 0.00 3.76 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 C 8.82 4.79 0.00 2.95 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 A 8.55 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 7.82 3.94 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 1.15 0.00 0.00 158 S 8.07 4.40 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 G 8.18 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 D 7.54 4.43 0.00 2.79 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 0.00 161 G 9.03 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 0.00 162 L 7.75 3.86 0.00 1.53 1.41 0.66 0.43 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 0.00 163 Y 8.04 3.92 0.00 3.10 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 0.00 164 E 8.54 4.24 0.00 2.41 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 0.00 2.52 2.58 0.00 165 G 8.49 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 0.00 0.00 0.00 166 L 8.16 4.10 0.00 1.82 1.46 1.05 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 167 T 8.86 4.13 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 168 W 8.25 3.88 0.00 3.22 3.32 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 0.00 169 L 8.20 3.78 0.00 2.15 1.90 1.07 0.90 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 0.00 170 T 8.16 3.97 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 1.39 0.00 0.00 171 S 8.15 4.04 0.00 3.68 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 0.00 172 N 7.62 4.16 0.00 1.66 2.26 0.00 0.00 6.95 7.04 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 0.00 173 Y 7.27 4.19 0.00 2.75 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 0.00 174 K 8.07 4.17 0.00 1.57 1.91 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.95 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.19 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.