NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.1336 7.8827 120.7959 61.8130 40.5385 176.3906 5 D 4.0911 8.2725 121.9862 54.5544 40.9956 175.0124 6 L 4.0898 9.5779 117.6919 57.9254 42.2646 177.5045 7 C 4.5340 8.0806 114.2629 61.3252 28.6849 174.2330 8 L 4.3093 7.8871 121.2296 54.8058 41.8491 178.5927 9 S 4.8169 9.0504 117.2987 60.7280 63.1605 176.5798 10 S 4.1963 8.0542 114.3141 60.2732 62.9341 174.3951 11 E 4.3287 8.0145 119.4957 56.1276 29.5507 176.7890 12 G 4.0599 8.1233 107.6780 45.0367 0.0000 174.3498 13 S 4.7590 7.8808 115.6859 58.6493 64.6759 172.5431 14 E 4.6785 9.0762 121.3214 54.9972 33.4140 173.7290 15 V 4.7344 8.3146 125.7588 61.6355 32.8285 174.7931 16 I 4.6550 8.7139 120.7187 58.5972 41.7053 174.5915 17 L 3.7500 8.4295 118.7378 55.6730 39.0710 175.1193 18 A 4.5221 7.8359 119.5980 52.0784 19.4411 178.4261 19 T 4.3968 8.7710 111.0312 62.4816 69.5288 175.0831 20 S 4.8494 8.3579 117.8426 57.1931 67.0133 173.9844 21 S 4.8116 8.3211 116.7528 57.2898 62.9227 174.2939 22 D 4.3685 7.8690 120.5744 54.6517 41.9400 176.0497 23 E 3.9208 8.8699 127.7039 59.1767 29.7377 177.9053 24 K 4.0303 7.5629 116.3552 58.4549 32.8783 177.0505 25 H 4.9017 7.9820 115.9975 53.2721 29.6367 171.0226 26 P 4.5556 0.0000 0.0000 61.7889 32.6146 176.5445 27 P 3.9465 0.0000 0.0000 65.6879 31.1869 178.6199 28 E 3.8809 8.2172 115.6852 59.3013 28.9960 178.6271 29 N 4.6282 7.9838 116.3661 55.6960 38.9051 176.7697 30 I 3.9650 8.0103 122.1162 62.7176 37.1372 176.6059 31 I 4.6417 7.6294 113.5001 60.6435 37.7833 176.0382 32 D 4.5638 8.4168 118.2585 53.6345 39.6993 176.3085 33 G 3.8365 8.2012 106.6013 46.4840 0.0000 172.9479 34 N 4.8966 8.0271 118.4946 50.4257 40.2007 173.4702 35 P 4.6225 0.0000 0.0000 64.6399 31.4910 177.0875 36 E 4.4152 8.7385 116.4099 57.2311 30.3147 176.5485 37 T 4.4034 7.5315 109.4997 60.8418 69.9930 173.8206 38 F 5.0274 7.7153 117.2542 55.4968 40.9968 172.7718 39 W 5.1714 8.9616 131.2401 55.4822 32.4064 174.7274 40 T 4.9902 7.6429 119.8914 60.1780 70.2667 173.0968 41 T 3.9685 8.1961 116.6288 61.3487 69.5500 174.6557 42 T 4.5384 8.6756 111.7850 61.0204 71.1209 174.6446 43 G 4.0645 7.5187 112.1981 45.4466 0.0000 171.0976 44 M 4.3079 8.2936 123.1771 54.2674 34.0140 174.7531 45 F 4.8750 8.3198 117.3834 54.9741 41.9233 173.7968 46 P 5.0111 0.0000 0.0000 63.2499 32.1932 175.4318 47 Q 5.0171 8.8153 119.7323 54.6855 32.6238 174.1810 48 E 5.2881 9.5385 118.6418 56.3776 33.5808 173.6452 49 F 5.2580 8.0890 113.4512 55.9872 41.6903 173.0545 50 I 5.0603 8.7889 120.4252 59.6916 40.8795 174.5152 51 I 4.7790 9.1288 127.3180 59.8932 39.2746 174.0279 52 C 4.5165 9.1314 128.5345 57.7720 31.0863 174.2918 53 F 4.2670 8.3531 125.2730 57.2532 39.8991 176.2984 54 H 4.1030 7.8437 114.0574 55.9754 26.0897 173.9908 55 K 4.1596 6.8645 115.9575 57.0849 35.4974 172.4068 56 H 4.9445 8.0609 115.9189 54.6022 30.5301 175.0972 57 V 4.7988 8.4684 115.1942 59.5078 36.5112 174.7242 58 R 4.8151 8.8771 121.4670 54.6559 32.6816 175.0495 59 I 4.8315 8.7228 125.9382 60.2681 37.5032 176.1268 60 E 4.6809 9.3988 125.2993 56.1719 32.4024 175.1300 61 R 5.0017 7.7416 117.3561 55.5326 33.7910 173.2598 62 L 5.4214 9.0745 124.8674 52.9790 45.8855 175.6086 63 V 4.9492 8.9707 122.2858 61.2166 34.9343 174.1669 64 I 5.0795 9.0750 128.1295 59.5050 40.5154 173.9834 65 Q 5.1610 9.2893 128.5293 54.5670 31.5373 174.5270 66 S 4.9872 8.9170 120.5091 58.2863 66.9931 171.7900 67 Y 4.9020 8.9439 119.4550 57.6831 42.2846 176.0225 68 F 4.1851 8.4683 122.8312 57.9270 36.8408 174.5240 69 V 4.0516 7.7905 121.2799 62.9007 31.9500 174.8906 70 Q 3.5673 8.6547 129.2518 57.9894 30.0303 174.9660 71 T 4.9697 7.3426 114.7016 61.4124 72.0336 172.3212 72 L 5.2592 9.1844 128.4519 53.0440 45.2781 174.6990 73 K 4.9907 9.2174 127.7179 54.6172 35.1209 174.4893 74 I 4.6247 9.0027 128.0844 59.4695 39.9959 174.5320 75 E 5.4766 9.0221 126.0804 54.4264 33.6517 174.9916 76 K 5.3858 9.0009 119.4886 55.5876 36.5717 175.0861 77 S 4.8226 8.9327 115.3638 56.5799 66.0424 174.1684 78 T 4.7075 8.1699 112.2712 60.3990 69.1852 174.1725 79 S 4.4915 7.7450 118.3972 57.8057 63.7520 174.3812 80 K 4.1314 8.6341 122.8038 58.7581 32.1237 176.6080 81 E 4.8748 7.9731 115.5650 52.7421 32.4176 174.9237 82 P 3.5354 0.0000 0.0000 62.0222 29.0743 174.9822 83 V 4.4120 6.3663 115.7182 60.4913 36.7214 174.9754 84 D 4.3404 8.5352 117.8984 55.6499 37.9669 174.1440 85 F 4.6871 7.8477 115.9702 57.1335 40.8000 176.7535 86 E 4.8369 8.9512 118.9311 54.1725 32.7504 175.0272 87 Q 4.2476 8.8905 123.4173 56.7692 29.4301 173.8656 88 W 5.0441 9.1058 133.0644 58.3274 32.5655 174.6798 89 I 4.5668 8.3510 119.6566 59.2770 40.8048 173.9882 90 E 4.7665 8.7329 125.5636 54.6722 31.8039 174.3098 91 K 4.6736 9.1987 127.0573 54.5447 35.6104 175.2942 92 D 5.2540 8.6045 123.4830 52.8453 42.0080 176.2614 93 L 4.6699 8.8060 124.6593 53.8975 43.1218 176.9069 94 V 4.4414 8.3014 119.7405 60.3073 33.6560 174.4974 95 H 4.5122 7.9278 120.6656 54.6021 31.2168 174.1948 96 T 4.3283 7.7886 122.3688 61.1694 70.7010 173.2357 97 E 4.0280 8.7270 126.2716 58.1221 29.7545 177.5173 98 G 3.9302 9.0682 110.6731 45.8926 0.0000 172.8989 99 Q 4.5133 7.8703 116.9047 53.5846 32.3886 175.1525 100 L 4.4037 8.1388 120.4182 54.5846 43.2494 176.0574 101 Q 4.5283 9.3725 120.1264 55.0814 30.6481 175.1242 102 N 5.3251 8.7328 119.8929 51.6894 41.8054 173.0752 103 E 4.6890 9.3285 125.8464 54.1095 32.5502 174.0016 104 E 5.0955 8.8571 127.4406 54.5326 31.9146 174.7912 105 I 4.3702 8.9698 127.3744 59.6374 40.4779 174.9477 106 V 4.4138 8.5272 128.2798 61.7496 31.1898 174.5412 107 A 4.8702 8.2078 128.1199 50.6995 22.6065 174.5236 108 H 5.8710 8.5721 119.8379 54.1311 32.8104 173.8790 *110 G 3.4924 8.2713 109.5685 46.1668 0.0000 171.9836 111 S 5.0549 8.2342 118.3807 57.7955 64.5123 173.2843 112 A 4.7141 8.4321 122.2254 51.8152 22.1462 176.8435 113 T 4.6208 9.1821 109.2027 61.5126 71.4615 173.6921 114 Y 5.1136 7.9121 117.8469 56.4504 43.1010 173.8831 115 L 5.2649 9.0704 121.0378 53.0943 45.9463 175.4055 116 R 4.7027 9.0120 124.0396 54.5103 32.4098 174.3295 117 F 4.7270 8.7050 125.9602 55.7036 41.3229 174.6363 118 I 4.6879 8.7901 125.5567 59.6355 39.6973 175.2326 119 I 4.4568 9.0289 129.8723 60.2826 36.7355 176.8050 120 V 3.8685 8.6084 128.8903 65.6866 32.1200 175.8654 121 S 4.1245 7.5991 112.2694 57.0307 66.2457 172.8951 122 A 4.9019 7.2532 120.8714 50.0299 22.0022 176.1293 123 F 4.1700 8.8205 116.9427 58.7542 39.1919 175.3803 124 D 4.0881 6.7113 117.2750 53.5321 43.1104 174.4299 125 H 4.3505 9.0946 115.7058 57.7692 28.8730 174.7777 126 F 5.2083 7.1172 112.7511 55.6229 41.1786 172.9046 127 A 5.0705 9.1712 121.3613 50.8070 22.9970 175.3152 128 S 5.3306 9.5065 114.5806 56.8401 68.0041 173.6369 129 V 4.7198 9.1895 122.6015 61.9284 33.2225 175.7706 130 H 4.6977 9.5665 126.7368 58.7031 29.5109 175.9925 131 S 5.2750 7.6777 109.6598 58.1196 65.8128 173.7233 132 V 4.8566 8.2916 124.2977 61.3789 33.9896 174.5841 133 S 5.2977 9.5854 123.3978 56.7862 67.0635 172.9856 134 A 5.2170 8.4915 123.1119 50.4337 22.5082 174.3267 135 E 5.5118 9.2673 124.1475 53.2219 31.6897 176.3009 136 G 3.8090 7.6427 111.7164 46.5394 0.0000 171.2585 137 T 4.7266 7.5648 115.6663 61.6691 73.0685 173.6138 138 V 4.2818 8.3266 123.9343 62.3698 32.6725 175.1306 139 V 4.3672 8.6965 127.6650 61.1897 33.4246 175.7451 140 S 4.3743 8.5653 122.2606 58.7903 62.9173 173.9896 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 4 I 7.88 4.13 1.91 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 1.33 1.31 0.95 0.00 0.00 5 D 8.27 4.09 0.00 3.00 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 0.00 0.00 0.00 6 L 9.58 4.09 0.00 1.88 1.69 0.71 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.08 4.53 0.00 3.32 3.05 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 8 L 7.89 4.31 0.00 1.86 1.63 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 9 S 9.05 4.82 0.00 4.02 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.05 4.20 0.00 4.01 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 11 E 8.01 4.33 0.00 2.24 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 2.32 2.62 0.00 12 G 8.12 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 0.00 0.00 0.00 0.00 13 S 7.88 4.76 0.00 4.09 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 14 E 9.08 4.68 0.00 2.04 1.79 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 2.23 2.27 0.00 15 V 8.31 4.73 1.94 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 0.66 0.00 0.00 0.83 0.00 0.00 16 I 8.71 4.66 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.69 0.96 0.00 0.00 17 L 8.43 3.75 0.00 1.79 1.76 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.84 4.52 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 19 T 8.77 4.40 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 1.30 0.00 0.00 20 S 8.36 4.85 0.00 3.81 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.32 4.81 0.00 3.96 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 22 D 7.87 4.37 0.00 2.70 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 23 E 8.87 3.92 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 24 K 7.56 4.03 0.00 1.70 1.48 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.30 7.81 25 H 7.98 4.90 0.00 2.93 3.07 0.00 5.62 0.00 0.00 0.00 0.00 6.82 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 4.56 0.00 2.22 2.18 0.00 3.77 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 2.04 1.95 0.00 27 P 0.00 3.95 0.00 2.06 1.79 0.00 3.64 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 28 E 8.22 3.88 0.00 2.16 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 2.34 2.39 0.00 29 N 7.98 4.63 0.00 2.94 3.00 0.00 0.00 7.02 6.82 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 30 I 8.01 3.96 1.57 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 1.28 0.94 0.59 0.00 0.00 31 I 7.63 4.64 2.04 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.82 0.87 0.00 0.00 32 D 8.42 4.56 0.00 2.79 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 33 G 8.20 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 34 N 8.03 4.90 0.00 2.69 2.81 0.00 0.00 6.98 8.91 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 35 P 0.00 4.62 0.00 2.24 2.20 0.00 3.44 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 36 E 8.74 4.42 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.28 0.00 37 T 7.53 4.40 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 1.21 0.00 0.00 38 F 7.72 5.03 0.00 3.18 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 W 8.96 5.17 0.00 3.40 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 40 T 7.64 4.99 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 1.03 0.00 0.00 41 T 8.20 3.97 3.96 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 1.02 0.00 0.00 42 T 8.68 4.54 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 1.10 0.00 0.00 43 G 7.52 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 0.00 0.00 0.00 0.00 44 M 8.29 4.31 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 45 F 8.32 4.87 0.00 2.99 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 46 P 0.00 5.01 0.00 2.15 2.13 0.00 3.76 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 2.03 0.00 47 Q 8.82 5.02 0.00 2.23 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 1.91 1.86 0.00 48 E 9.54 5.29 0.00 1.95 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 2.18 2.21 0.00 49 F 8.09 5.26 0.00 2.71 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 50 I 8.79 5.06 2.05 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 1.00 0.51 1.23 0.00 0.00 51 I 9.13 4.78 1.86 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 1.16 1.27 0.52 0.00 0.00 52 C 9.13 4.52 0.00 3.04 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 53 F 8.35 4.27 0.00 3.17 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 7.84 4.10 0.00 3.29 3.37 0.00 5.95 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 6.86 4.16 0.00 1.91 1.90 0.00 1.27 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 1.23 7.81 56 H 8.06 4.94 0.00 3.25 3.21 0.00 5.56 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.47 4.80 1.69 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 0.29 0.00 0.00 0.01 0.00 0.00 58 R 8.88 4.82 0.00 1.63 1.78 0.00 3.19 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 59 I 8.72 4.83 2.15 0.00 0.00 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 1.14 0.69 1.20 0.00 0.00 60 E 9.40 4.68 0.00 2.02 1.92 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 2.24 2.28 0.00 61 R 7.74 5.00 0.00 1.94 1.74 0.00 3.25 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 62 L 9.07 5.42 0.00 1.57 1.59 0.59 1.05 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 63 V 8.97 4.95 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 0.90 0.00 0.00 0.97 0.00 0.00 64 I 9.08 5.08 1.95 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 1.23 0.80 1.06 0.00 0.00 65 Q 9.29 5.16 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.45 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 66 S 8.92 4.99 0.00 4.23 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 67 Y 8.94 4.90 0.00 2.78 2.65 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 68 F 8.47 4.19 0.00 2.91 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 69 V 7.79 4.05 2.21 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 0.83 0.00 0.00 1.11 0.00 0.00 70 Q 8.65 3.57 0.00 0.93 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.53 0.00 0.00 0.00 0.00 0.00 1.86 1.16 0.00 71 T 7.34 4.97 4.14 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 1.17 0.00 0.00 72 L 9.18 5.26 0.00 1.66 1.51 1.04 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 73 K 9.22 4.99 0.00 1.78 1.57 0.00 1.60 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.35 7.81 74 I 9.00 4.62 1.60 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 0.80 0.53 0.36 0.00 0.00 75 E 9.02 5.48 0.00 1.80 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.12 0.00 76 K 9.00 5.39 0.00 1.72 1.87 0.00 0.66 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.08 1.14 7.81 77 S 8.93 4.82 0.00 2.72 2.92 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 78 T 8.17 4.71 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 1.16 0.00 0.00 79 S 7.74 4.49 0.00 3.95 3.79 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 80 K 8.63 4.13 0.00 1.73 1.87 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.58 7.81 81 E 7.97 4.87 0.00 1.91 1.75 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 2.23 2.16 0.00 82 P 0.00 3.54 0.00 2.08 1.34 0.00 3.56 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.84 0.00 83 V 6.37 4.41 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.83 0.00 0.00 84 D 8.54 4.34 0.00 2.64 2.61 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 0.00 0.00 0.00 0.00 85 F 7.85 4.69 0.00 2.89 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 86 E 8.95 4.84 0.00 2.02 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 2.33 2.21 0.00 87 Q 8.89 4.25 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 88 W 9.11 5.04 0.00 3.23 3.25 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 89 I 8.35 4.57 1.54 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 -0.08 0.25 0.73 0.00 0.00 90 E 8.73 4.77 0.00 1.90 1.80 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 2.15 2.29 0.00 91 K 9.20 4.67 0.00 1.62 1.66 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.49 7.81 92 D 8.60 5.25 0.00 2.54 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 93 L 8.81 4.67 0.00 1.86 1.81 1.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.30 4.44 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 0.70 0.00 0.00 0.87 0.00 0.00 95 H 7.93 4.51 0.00 1.47 2.33 0.00 5.86 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 7.79 4.33 4.16 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 0.00 0.00 0.00 1.14 0.00 0.00 97 E 8.73 4.03 0.00 1.91 1.92 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 2.28 2.27 0.00 98 G 9.07 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 99 Q 7.87 4.51 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 100 L 8.14 4.40 0.00 1.44 1.60 0.70 0.41 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 0.00 101 Q 9.37 4.53 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 102 N 8.73 5.33 0.00 2.53 2.72 0.00 0.00 6.75 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 0.00 103 E 9.33 4.69 0.00 2.08 1.80 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 2.21 2.27 0.00 104 E 8.86 5.10 0.00 2.01 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 2.20 2.33 0.00 105 I 8.97 4.37 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.68 0.71 0.00 0.00 106 V 8.53 4.41 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 0.85 0.00 0.00 0.95 0.00 0.00 107 A 8.21 4.87 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 0.00 108 H 8.57 5.87 0.00 3.31 3.23 0.00 5.74 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 *110 G 8.27 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.23 5.05 0.00 3.67 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 0.00 112 A 8.43 4.71 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 0.00 113 T 9.18 4.62 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 1.00 0.00 0.00 114 Y 7.91 5.11 0.00 2.90 3.02 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 0.00 0.00 0.00 0.00 115 L 9.07 5.26 0.00 1.84 1.51 1.45 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 116 R 9.01 4.70 0.00 0.67 1.20 0.00 2.21 0.00 0.00 2.89 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.07 0.00 117 F 8.70 4.73 0.00 1.51 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.79 4.69 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.57 0.98 0.00 0.00 119 I 9.03 4.46 2.26 0.00 0.00 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 1.41 1.22 1.19 0.00 0.00 120 V 8.61 3.87 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 0.72 0.00 0.00 0.93 0.00 0.00 121 S 7.60 4.12 0.00 3.51 3.66 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 0.00 0.00 0.00 0.00 122 A 7.25 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.82 4.17 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 0.00 124 D 6.71 4.09 0.00 1.58 1.54 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 0.00 125 H 9.09 4.35 0.00 3.26 3.44 0.00 5.72 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 0.00 126 F 7.12 5.21 0.00 3.11 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 0.00 127 A 9.17 5.07 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 0.00 128 S 9.51 5.33 0.00 3.79 3.75 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 0.00 129 V 9.19 4.72 2.41 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 1.07 0.00 0.00 1.41 0.00 0.00 130 H 9.57 4.70 0.00 3.23 3.61 0.00 5.94 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 S 7.68 5.28 0.00 3.91 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.29 4.86 1.92 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 0.59 0.00 0.00 0.60 0.00 0.00 133 S 9.59 5.30 0.00 3.78 3.75 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 0.00 134 A 8.49 5.22 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 0.00 135 E 9.27 5.51 0.00 2.05 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 2.26 2.11 0.00 136 G 7.64 3.81 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 0.00 137 T 7.56 4.73 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 1.19 0.00 0.00 138 V 8.33 4.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.89 0.00 0.00 139 V 8.70 4.37 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.89 0.00 0.00 140 S 8.57 4.37 0.00 3.88 3.74 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 * Residues marked with a * may have inaccurate shift predictions.