NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6954 8.4201 119.2044 53.2023 41.7919 175.2734 0 A 4.1492 7.9417 128.0561 51.8817 17.4587 178.0593 2 K 4.0056 9.1352 116.4922 57.8572 31.8517 173.0110 3 K 4.0379 8.3340 129.8156 57.7612 32.8788 176.8393 4 G 3.8727 8.9748 107.4892 44.4783 0.0000 172.8191 5 T 4.4355 8.1491 106.4339 60.9065 69.9962 174.3765 6 V 3.9878 7.6135 122.4412 61.9963 30.2610 174.6060 7 L 4.3207 8.0775 126.4126 55.8206 42.7977 177.9802 8 N 4.4509 7.9604 117.7699 53.3914 40.4541 175.6354 9 S 4.1598 8.6177 122.8412 61.6154 63.2862 176.5855 10 E 3.9842 8.2227 121.7498 59.0209 29.2580 179.0793 11 I 3.6775 8.0326 119.8582 64.5231 37.2896 178.5708 12 S 4.0926 8.0524 115.8954 61.6144 62.4379 176.7543 13 S 4.0752 7.8799 114.6831 61.4084 62.5203 176.3253 14 V 3.7653 8.0193 122.0591 64.9181 31.2207 178.3236 15 I 3.7229 8.0679 121.0842 63.9853 36.7447 178.2464 16 S 4.3181 7.9175 113.1286 60.1947 63.0833 175.5272 17 R 4.3579 7.4440 120.0994 55.2544 30.7979 176.4528 18 L 4.2386 7.2240 119.7175 54.5533 42.3642 176.4947 19 G 4.1112 9.3032 111.3173 43.0768 0.0000 171.8298 20 H 4.4197 8.4800 118.9603 57.9155 29.8395 175.4213 21 T 3.4549 8.7897 116.4631 61.5318 68.7544 171.9391 22 D 4.6623 7.8223 122.8836 54.9342 42.1580 175.4790 23 T 5.1282 8.4088 110.5818 59.8927 72.5496 172.3949 24 L 5.0951 8.7867 124.2865 53.4649 45.6911 175.0267 25 V 4.8120 8.6992 126.0292 61.2889 34.0149 174.2991 26 V 4.9391 8.6633 127.4924 61.3160 33.7829 174.1255 27 C 5.6848 9.1570 122.0604 56.4709 33.6238 172.8654 28 D 5.2213 8.1498 119.0336 52.0045 41.1270 177.1676 29 A 4.1029 9.0313 121.3311 54.0719 18.2746 178.4444 30 G 3.9626 7.8878 103.0027 44.8592 0.0000 173.8209 31 L 4.1271 7.5561 122.9462 53.9406 42.6116 174.8753 32 P 4.4409 0.0000 0.0000 62.6585 32.0572 175.5710 33 I 4.4559 8.0014 121.1697 58.7895 39.2055 174.0561 34 P 4.4683 0.0000 0.0000 62.3422 31.7788 177.0306 35 N 4.5903 8.5679 117.7477 54.3802 37.6933 175.8726 36 S 4.4271 7.9234 112.6276 59.1453 63.5002 173.5654 37 T 4.5997 7.3914 114.8711 59.9345 70.3873 173.0240 38 A 4.2016 8.0490 128.2778 51.9789 19.8049 176.4147 39 R 4.6110 8.5465 121.9692 54.8667 31.7635 175.6143 40 I 4.3454 8.7068 128.8139 59.8108 38.6517 174.5465 41 D 4.8957 8.5087 126.3652 52.8912 42.9627 175.3962 *43 A 4.0267 8.2946 123.8350 52.3130 19.0945 175.9031 44 L 4.1976 8.8250 124.9284 56.8620 42.9792 176.0111 45 T 4.4217 7.3364 109.9499 60.6491 70.1753 171.8392 46 Q 4.0412 8.6164 122.2472 57.7509 28.6734 177.9277 47 G 3.8878 9.3331 111.1776 45.4699 0.0000 173.0259 48 V 4.4554 8.0810 120.4462 60.2362 34.3696 173.3663 49 P 5.0508 0.0000 0.0000 62.2042 33.3110 175.8344 50 S 4.6482 9.0255 115.7855 57.2145 64.8350 175.2779 51 F 4.2629 9.0281 118.9059 59.5811 39.0491 176.7781 *53 Q 4.1884 8.1601 119.8154 55.6342 30.6588 177.8557 54 V 3.4690 7.5860 116.4787 65.8853 31.5705 178.0420 55 V 3.3490 7.4348 118.1362 65.9920 31.0148 177.2541 56 D 4.2128 7.7857 115.5591 57.4770 41.2845 178.0174 57 V 3.6960 7.7171 118.5256 65.9239 31.6707 177.9575 58 V 3.5874 7.9961 118.5490 66.2441 31.1757 177.6345 59 T 4.2110 7.7814 106.6091 63.4005 68.9730 176.4123 60 R 4.1192 7.6695 120.6851 58.0676 30.4338 176.5804 61 E 4.4858 7.7808 118.0297 55.8760 30.2225 176.2850 *63 Q 4.2398 7.9195 117.3286 55.9754 30.5859 174.9376 64 V 4.8679 8.8305 125.0226 61.2386 32.3075 175.1536 65 E 4.7011 9.3857 124.9526 56.8309 31.8875 175.1917 66 A 4.8385 7.5952 119.8841 51.1063 22.9579 174.7784 67 A 5.1482 9.2593 120.7001 50.2899 22.9334 175.2751 68 I 4.9456 9.0157 122.3939 59.5092 40.4361 174.9040 69 L 5.3471 8.6760 125.0210 52.5541 46.3531 175.8420 70 A 4.7352 8.1800 123.5894 52.0880 19.3804 179.0175 71 T 3.8551 9.0884 119.9481 66.8767 68.4630 176.8613 72 E 3.6875 7.8330 119.7083 59.0122 29.1368 178.9594 73 I 3.6440 7.4969 118.8706 63.6235 37.6797 177.9173 74 K 3.7278 7.4555 118.7784 59.6588 32.0133 178.7627 75 Q 4.1832 7.8259 115.6368 57.6458 29.1496 177.1994 76 Q 4.5344 7.7736 116.2470 55.5421 30.8098 175.5206 77 N 5.0334 8.3441 119.7038 50.7054 39.7156 173.5371 78 P 4.2992 0.0000 0.0000 66.1096 31.8588 178.2880 79 Q 3.9768 7.9957 117.3794 58.7433 28.6997 178.2321 80 L 3.9824 7.8477 120.8898 58.1911 42.2385 177.8848 81 H 4.1783 8.4894 118.6431 59.7275 29.7332 176.9578 82 E 3.9448 8.2915 119.9110 59.7385 29.3198 179.4589 83 T 3.9173 8.0540 115.7995 66.4982 68.4396 176.4864 84 L 4.0976 8.2958 122.4247 58.1337 42.1233 178.9748 85 L 4.0324 8.0532 118.9441 58.1039 41.5551 179.5708 86 T 3.8494 8.0417 115.6251 66.9461 68.3585 176.0804 87 H 4.1470 8.3410 119.9666 59.3980 29.9142 177.3618 88 L 3.9224 8.4353 121.0804 57.4513 41.2028 179.1731 89 E 3.9058 8.2982 119.7950 59.4255 29.6238 178.9246 90 Q 3.9100 8.0689 118.1500 58.4336 28.6802 178.3273 91 L 3.8659 7.9725 121.9128 58.1524 42.1843 179.0219 92 Q 4.1691 7.9899 117.6289 59.3352 28.1577 178.6089 93 Q 3.9547 7.5499 118.9811 59.2861 28.9228 178.3301 94 H 4.4308 7.8700 115.5288 58.8685 28.7614 177.5932 95 Q 4.2240 8.4941 119.5336 56.3335 28.6526 176.5426 96 G 3.8928 8.1835 107.6280 46.3693 0.0000 172.6318 97 N 4.9675 7.9213 116.8407 51.1053 40.2389 172.3595 98 T 4.5306 8.2834 111.9119 60.6104 69.3165 173.6496 99 I 4.3286 8.8959 131.4208 60.4275 37.9217 175.8419 100 K 4.2257 8.7217 129.8373 56.1844 33.3094 175.4805 101 I 5.0524 8.3537 127.9076 59.6086 39.5110 174.8599 102 S 4.7264 8.5972 119.9785 57.0547 67.1280 172.1936 103 Y 5.3820 8.5438 117.0007 56.5533 41.3541 174.8941 104 T 4.9801 8.8725 112.4504 59.6917 73.2826 173.3475 105 T 4.2625 8.4137 111.1180 61.5894 69.6038 174.8650 106 H 4.2606 8.9377 122.5047 59.4686 29.6770 177.5191 107 E 3.9593 8.2765 120.0375 59.6670 29.3766 179.0544 108 Q 4.0201 8.2936 119.4199 58.7446 29.0721 177.6397 109 F 3.9985 8.6909 122.3650 61.3615 39.2017 177.1245 110 K 4.0143 8.2183 116.6336 59.6083 32.2846 179.0624 111 K 4.1018 7.8879 118.3012 59.5492 31.8987 179.4018 112 L 3.9749 8.0151 119.4224 57.8423 41.5934 179.6152 113 T 3.7015 7.7207 109.3761 64.3615 68.2925 176.2680 114 A 4.0610 7.6948 122.5327 54.3903 18.4083 178.1514 115 D 4.6823 7.8471 115.6054 53.4213 41.4995 176.8152 116 S 5.0523 6.9972 113.8810 56.8976 64.2853 174.4976 117 Q 4.0723 8.9705 120.1858 58.7817 28.9282 176.0739 118 A 4.8799 7.4123 116.4250 51.0164 22.8172 175.1793 119 V 4.6673 8.6739 120.1273 61.2157 34.2557 174.5670 120 I 4.6889 9.0582 129.7984 59.9565 38.6097 174.7016 121 R 4.6923 8.8178 129.7273 55.3570 30.6709 176.4120 122 S 4.6065 8.9272 122.4082 57.1367 65.4263 174.1062 123 G 4.0064 9.0234 105.4039 46.3003 0.0000 173.4018 124 E 4.4653 8.2063 122.7845 56.7229 30.2706 177.1776 125 C 4.5981 8.7223 122.6277 59.4853 29.8025 174.2780 126 S 4.3430 7.5245 113.3668 57.1601 63.3053 172.2202 127 P 4.1424 0.0000 0.0000 63.5790 31.6690 175.7595 128 Y 3.3699 7.6210 117.0287 59.1453 35.5389 171.5406 129 A 3.9766 7.3916 121.1868 50.5214 16.8343 176.7811 130 N 5.6919 7.4629 116.7213 50.8616 43.3895 175.3131 131 V 5.0181 9.5267 122.4459 60.2259 35.4693 174.2899 132 I 4.6413 9.0685 125.1380 60.0119 38.8549 174.4388 133 L 5.0420 8.9132 128.0902 53.3805 43.9872 175.2591 134 C 5.1111 8.9362 121.4949 57.8908 30.6448 172.9781 135 A 4.7031 8.9444 126.5085 51.7776 19.1922 176.6227 136 G 4.4494 8.1255 107.2666 46.5098 0.0000 173.3098 137 V 4.6822 8.3573 113.7936 59.0645 35.5389 175.5410 138 T 4.2024 8.4694 117.3840 62.0044 67.8781 174.4317 139 F 4.4876 8.4605 122.6346 57.3655 37.5750 173.8747 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 -1 N 8.42 4.70 0.00 2.70 2.91 0.00 0.00 6.96 7.08 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 A 7.94 4.15 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 2 K 9.14 4.01 0.00 1.80 2.12 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.46 7.81 3 K 8.33 4.04 0.00 1.78 1.72 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.43 7.81 4 G 8.97 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 0.00 0.00 0.00 5 T 8.15 4.44 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 6 V 7.61 3.99 2.22 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 0.82 0.00 0.00 0.96 0.00 0.00 7 L 8.08 4.32 0.00 1.66 1.70 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 8 N 7.96 4.45 0.00 2.74 2.68 0.00 0.00 7.00 7.63 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 9 S 8.62 4.16 0.00 4.08 4.10 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 10 E 8.22 3.98 0.00 2.14 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 0.00 2.39 2.34 0.00 11 I 8.03 3.68 1.86 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 1.51 0.84 0.90 0.00 0.00 12 S 8.05 4.09 0.00 4.03 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 13 S 7.88 4.08 0.00 3.92 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 14 V 8.02 3.77 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 0.79 0.00 0.00 0.92 0.00 0.00 15 I 8.07 3.72 1.86 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 1.11 0.90 0.00 0.00 16 S 7.92 4.32 0.00 4.05 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 17 R 7.44 4.36 0.00 1.96 1.99 0.00 3.15 0.00 0.00 3.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 18 L 7.22 4.24 0.00 1.72 1.58 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.30 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 0.00 0.00 0.00 20 H 8.48 4.42 0.00 2.99 3.19 0.00 5.80 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 21 T 8.79 3.45 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 0.94 0.00 0.00 22 D 7.82 4.66 0.00 2.79 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 23 T 8.41 5.13 4.19 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 1.16 0.00 0.00 24 L 8.79 5.10 0.00 1.71 1.48 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.70 4.81 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 1.08 0.00 0.00 0.86 0.00 0.00 26 V 8.66 4.94 1.99 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 0.84 0.00 0.00 0.86 0.00 0.00 27 C 9.16 5.68 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 28 D 8.15 5.22 0.00 2.92 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 29 A 9.03 4.10 1.34 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 30 G 7.89 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 0.00 0.00 0.00 0.00 31 L 7.56 4.13 0.00 1.66 1.66 1.08 1.10 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 32 P 0.00 4.44 0.00 2.24 2.06 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 33 I 8.00 4.46 1.89 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 1.45 0.86 0.93 0.00 0.00 34 P 0.00 4.47 0.00 2.17 1.97 0.00 3.60 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 2.17 2.07 0.00 35 N 8.57 4.59 0.00 2.83 2.94 0.00 0.00 6.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.92 4.43 0.00 3.99 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.39 4.60 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 1.23 0.00 0.00 38 A 8.05 4.20 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 39 R 8.55 4.61 0.00 1.82 1.84 0.00 3.20 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 40 I 8.71 4.35 1.87 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 1.11 0.67 0.91 0.00 0.00 41 D 8.51 4.90 0.00 2.69 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 *43 A 8.29 4.03 1.37 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 0.00 0.00 44 L 8.82 4.20 0.00 1.59 1.86 0.92 0.79 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 45 T 7.34 4.42 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 46 Q 8.62 4.04 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.75 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 47 G 9.33 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 48 V 8.08 4.46 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 1.07 0.00 0.00 0.94 0.00 0.00 49 P 0.00 5.05 0.00 2.15 2.15 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 50 S 9.03 4.65 0.00 4.11 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 51 F 9.03 4.26 0.00 3.11 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *53 Q 8.16 4.19 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 54 V 7.59 3.47 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 1.01 0.00 0.00 0.97 0.00 0.00 55 V 7.43 3.35 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 -0.02 0.00 0.00 56 D 7.79 4.21 0.00 2.51 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 57 V 7.72 3.70 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 0.92 0.00 0.00 0.97 0.00 0.00 58 V 8.00 3.59 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 0.97 0.00 0.00 0.93 0.00 0.00 59 T 7.78 4.21 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 1.27 0.00 0.00 60 R 7.67 4.12 0.00 1.93 2.04 0.00 3.13 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 61 E 7.78 4.49 0.00 1.97 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 2.24 0.00 *63 Q 7.92 4.24 0.00 2.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 64 V 8.83 4.87 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 0.88 0.00 0.00 0.94 0.00 0.00 65 E 9.39 4.70 0.00 2.06 2.25 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 2.22 2.26 0.00 66 A 7.60 4.84 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 67 A 9.26 5.15 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 68 I 9.02 4.95 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.79 0.98 0.00 0.00 69 L 8.68 5.35 0.00 1.42 1.57 1.00 0.78 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 70 A 8.18 4.74 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 9.09 3.86 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 72 E 7.83 3.69 0.00 1.16 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 1.89 2.10 0.00 73 I 7.50 3.64 1.79 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 1.48 1.53 0.90 0.00 0.00 74 K 7.46 3.73 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 83 T 8.05 3.92 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 1.26 0.00 0.00 84 L 8.30 4.10 0.00 1.96 1.97 1.10 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.05 4.03 0.00 1.86 1.71 0.87 0.58 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 86 T 8.04 3.85 4.41 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 0.00 0.00 0.00 1.23 0.00 0.00 87 H 8.34 4.15 0.00 3.29 3.51 0.00 5.78 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 88 L 8.44 3.92 0.00 1.83 1.70 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.30 3.91 0.00 2.31 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 0.00 2.30 2.35 0.00 90 Q 8.07 3.91 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 91 L 7.97 3.87 0.00 1.66 1.72 0.96 0.64 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 92 Q 7.99 4.17 0.00 2.47 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 93 Q 7.55 3.95 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.03 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 94 H 7.87 4.43 0.00 3.23 3.34 0.00 5.67 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.49 4.22 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.49 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 96 G 8.18 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 97 N 7.92 4.97 0.00 2.79 2.82 0.00 0.00 5.94 7.71 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 98 T 8.28 4.53 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 99 I 8.90 4.33 1.87 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 1.24 0.66 0.91 0.00 0.00 100 K 8.72 4.23 0.00 1.89 1.67 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.43 7.81 101 I 8.35 5.05 1.87 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 1.39 0.60 0.65 0.00 0.00 102 S 8.60 4.73 0.00 3.85 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 8.54 5.38 0.00 2.86 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 0.00 104 T 8.87 4.98 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 1.27 0.00 0.00 105 T 8.41 4.26 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 0.00 106 H 8.94 4.26 0.00 3.34 3.44 0.00 5.79 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 0.00 107 E 8.28 3.96 0.00 2.05 2.02 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 2.45 2.35 0.00 108 Q 8.29 4.02 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 109 F 8.69 4.00 0.00 3.32 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 0.00 110 K 8.22 4.01 0.00 1.95 1.90 0.00 1.78 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.59 7.81 111 K 7.89 4.10 0.00 1.92 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 112 L 8.02 3.97 0.00 1.57 1.56 0.86 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.72 3.70 4.20 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 1.03 0.00 0.00 114 A 7.69 4.06 1.35 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 0.00 115 D 7.85 4.68 0.00 2.71 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 0.00 116 S 7.00 5.05 0.00 4.13 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 0.00 117 Q 8.97 4.07 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 118 A 7.41 4.88 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 0.00 119 V 8.67 4.67 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 1.10 0.00 0.00 0.95 0.00 0.00 120 I 9.06 4.69 1.87 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 1.11 0.48 0.91 0.00 0.00 121 R 8.82 4.69 0.00 1.83 1.86 0.00 3.27 0.00 0.00 3.54 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 122 S 8.93 4.61 0.00 4.09 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 0.00 123 G 9.02 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.21 4.47 0.00 2.33 1.91 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 2.29 2.39 0.00 125 C 8.72 4.60 0.00 2.96 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 S 7.52 4.34 0.00 3.98 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 0.00 127 P 0.00 4.14 0.00 2.14 1.85 0.00 3.80 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 2.19 2.05 0.00 128 Y 7.62 3.37 0.00 3.00 2.82 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 0.00 129 A 7.39 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 N 7.46 5.69 0.00 2.13 2.87 0.00 0.00 6.99 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 0.00 131 V 9.53 5.02 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 0.98 0.00 0.00 1.11 0.00 0.00 132 I 9.07 4.64 1.78 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.01 0.81 0.00 0.00 133 L 8.91 5.04 0.00 1.66 1.57 0.91 0.74 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 0.00 134 C 8.94 5.11 0.00 2.91 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 0.00 135 A 8.94 4.70 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 0.00 136 G 8.13 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 0.00 0.00 0.00 0.00 137 V 8.36 4.68 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 0.74 0.00 0.00 0.86 0.00 0.00 138 T 8.47 4.20 4.28 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 1.25 0.00 0.00 139 F 8.46 4.49 0.00 3.12 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 * Residues marked with a * may have inaccurate shift predictions.