NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4320 8.1927 115.5394 58.3740 63.6997 171.2747 3 V 5.2121 8.1978 126.7782 60.3129 33.2784 173.3893 4 K 4.5086 8.3644 125.6874 55.2781 37.1884 173.9112 *6 K 4.5101 8.5164 120.2946 56.7667 33.5885 176.0916 7 K 3.8675 8.7780 127.7823 56.4995 32.8454 176.0665 8 C 4.3445 8.5495 124.7148 59.3872 29.3424 173.0829 9 S 4.6933 9.0866 117.6366 56.1257 65.6743 175.3872 10 R 3.8528 8.2972 120.5051 59.4483 29.8495 178.2501 11 E 4.0167 8.0027 116.1329 58.9039 29.8551 177.6397 12 D 4.7189 8.0547 117.7336 54.1601 40.7667 177.4813 13 L 3.7249 7.4692 123.2419 58.6856 41.9698 179.1164 14 Q 3.9423 7.9488 116.8206 59.2505 28.7481 178.8406 15 T 3.7863 7.8475 116.1472 66.5070 68.4785 176.1180 16 L 3.8436 8.4702 122.4713 58.0955 41.9596 178.5815 17 Q 3.7751 7.9663 119.3340 59.3877 28.8837 178.4674 18 Q 3.8801 7.8823 118.7265 58.9986 28.9228 178.7228 19 L 4.0800 7.7072 122.4702 57.6737 41.9858 179.2466 20 S 3.6542 7.8488 115.4725 60.9968 62.4804 176.7139 21 I 3.6777 7.6268 123.1698 64.1916 36.5256 178.3495 22 E 3.9576 8.2926 118.9533 59.7688 29.3462 179.3124 23 T 3.7651 7.5750 108.5642 63.3445 69.0360 174.8222 24 F 4.4320 7.6363 122.6966 59.1044 39.7677 175.4936 25 N 4.3046 7.7960 118.6982 55.3917 38.7326 174.4812 26 D 4.5830 6.9414 124.3667 51.9965 41.9596 175.4585 *35 E 4.2766 7.8692 123.3434 56.2203 31.8418 176.5140 36 N 4.4693 8.1496 111.9002 53.6682 39.2403 177.2629 *38 K 4.3326 8.2498 121.2182 56.5243 34.4076 177.5138 39 A 4.0241 7.8651 119.9947 55.4764 18.0624 179.0634 40 Y 4.1748 7.5170 117.0528 59.6784 39.0619 177.6160 41 L 3.8021 7.8133 121.2720 58.2512 42.2633 178.6017 42 E 4.0409 8.2298 117.7189 58.5947 29.2153 178.2444 43 S 4.6302 7.6612 112.9269 58.0426 63.7106 175.3524 44 A 4.0047 7.2555 123.3598 54.0345 21.9432 178.3638 45 F 5.0106 7.3359 112.1683 57.4053 39.6550 176.3618 46 N 4.5285 7.8828 118.9248 53.1963 40.8142 174.6167 47 T 3.8316 8.5607 117.8144 65.4529 68.5080 176.2586 48 E 3.9130 8.2144 121.1683 58.6461 29.6743 178.8857 49 Q 3.9064 8.6690 119.8995 59.3994 29.1527 178.4836 50 L 4.0268 8.3506 120.2713 57.6859 41.3402 179.1823 51 E 3.8571 7.8847 118.6677 58.9653 29.7225 178.5156 52 K 4.1058 7.9178 119.4806 59.4562 32.3998 178.7492 53 E 4.0942 8.1643 118.6809 59.5053 29.2277 179.3570 54 L 4.1537 8.0097 117.8625 57.0759 41.7158 178.5268 55 S 4.4448 7.5156 110.9175 60.2704 63.2859 174.5080 56 N 4.6041 7.9212 119.2294 53.8259 41.5436 175.3177 *58 S 4.4180 8.2549 117.8196 58.2967 65.4601 173.4565 59 S 5.2486 8.1098 115.1321 56.9312 66.2177 173.4930 60 Q 4.5323 8.6594 122.6921 54.8234 32.8394 173.2251 61 F 5.3743 8.8096 124.0943 55.7693 42.4437 174.2974 62 F 5.2375 9.2668 120.4854 55.8537 42.7156 174.0171 63 F 5.7923 9.3947 122.0320 56.2338 40.9548 175.0730 64 I 4.8263 8.5066 121.8267 59.5021 40.9946 173.7814 65 Y 5.0511 9.5208 126.2027 56.2909 41.5434 174.6546 66 F 4.7042 9.0763 124.9826 56.9350 40.5764 172.4659 67 D 4.0029 9.3598 126.1237 55.3292 37.7652 175.2095 68 H 4.1607 8.0978 115.1319 56.1177 28.4467 174.8148 69 E 4.6917 7.9358 119.3420 54.1410 31.1708 175.0224 70 I 3.4969 8.3115 123.4011 60.6773 38.5175 175.2361 71 A 4.0535 8.8354 130.6454 51.1008 20.3108 176.5811 72 G 3.8727 6.9075 101.9339 46.8005 0.0000 170.1652 73 Y 5.5771 7.7313 116.5841 56.4195 42.0146 173.8569 74 V 4.7609 9.0596 118.3179 59.8873 35.5527 174.1028 75 K 4.7766 9.2069 123.7116 54.7116 35.1299 175.2362 76 V 4.9687 8.5405 119.9103 59.6655 35.4775 174.3844 77 N 5.6850 9.0865 119.9161 51.6169 43.0455 173.4616 78 I 4.9085 8.4108 114.0269 58.5422 41.6485 176.9796 79 D 4.1043 8.9178 122.6544 55.9296 39.8715 175.6762 80 D 4.7076 8.8623 126.1866 56.2638 40.4628 176.4482 81 A 4.3473 7.9143 123.0972 53.5517 19.6149 178.6188 82 Q 4.4120 7.8092 116.3256 56.2070 29.1756 178.0482 83 S 4.4796 9.8316 117.4774 60.2714 63.2799 174.2425 84 E 4.7765 7.9676 118.6003 54.2910 32.8820 175.0489 85 E 3.9704 8.6257 122.2689 56.0330 30.1488 176.7666 *87 G 3.6635 8.3385 111.5352 45.4713 0.0000 171.9871 88 A 4.6441 8.3413 118.6653 51.9338 18.5726 177.4459 89 E 4.9290 8.0823 115.8626 56.3047 31.1794 175.4103 90 S 5.2936 8.0722 112.7717 56.8009 66.7981 172.6341 91 L 5.0039 8.9702 122.1331 53.3203 45.1968 174.5370 92 E 4.2127 9.3173 126.5642 54.3627 32.1415 174.8430 93 I 4.2313 7.4586 127.6322 59.8670 37.0003 174.9888 94 E 4.1036 8.6421 129.6434 58.5608 30.3509 177.0565 95 R 4.7457 7.5883 116.1761 54.8478 35.1309 174.3843 96 I 4.5718 7.3450 121.2627 60.2649 41.1166 173.2962 97 Y 4.8054 8.7596 126.5008 56.5041 42.6653 174.1235 98 I 5.1465 8.2373 122.6986 59.0506 41.0074 175.6112 99 K 4.0804 9.3078 126.5756 56.7022 33.0042 177.4462 100 N 4.2228 9.2152 121.1690 56.7226 38.4840 177.1808 101 S 4.1767 7.9189 109.2109 59.7597 63.1802 174.3058 102 F 4.7135 8.2567 118.6653 57.2360 39.8592 175.4716 103 Q 4.1428 7.6526 119.7416 55.8340 29.3275 175.3244 104 K 3.7934 8.3794 115.2551 58.0915 29.2463 176.0536 105 H 4.6910 7.9495 109.8213 55.3980 31.9865 174.9360 106 G 3.9210 8.2777 108.6196 45.4578 0.0000 175.6427 107 L 4.1092 7.7342 120.4452 57.4618 41.5860 179.3096 108 G 3.3478 7.8465 105.3923 47.5774 0.0000 175.5262 109 K 4.2004 8.0506 121.6604 59.5241 32.2662 178.4901 110 H 4.3101 8.0263 116.2440 58.8926 28.7088 177.7937 111 L 4.0043 8.0821 120.7889 57.7102 41.4441 179.3563 112 L 4.0691 8.3039 120.4482 58.2925 41.9826 178.7816 113 N 4.3931 8.6630 116.8591 55.9972 38.3993 177.3141 114 K 3.7936 7.9866 121.0362 59.3495 32.1853 178.7487 115 A 4.0029 7.8578 120.9451 55.2056 18.3063 179.6835 116 I 3.6565 7.9790 118.4074 64.3375 37.1033 178.1314 117 E 3.9031 8.4159 120.4132 59.4327 29.4460 178.9935 118 I 3.8470 7.7722 119.4085 64.2721 37.0976 178.0648 119 A 3.9971 8.1716 121.6993 55.4234 18.2478 179.6434 120 L 3.9515 8.3930 117.6008 58.0805 41.4591 179.7011 121 E 4.0443 8.3906 117.8967 59.3020 29.5165 178.8089 122 R 4.2473 8.3001 115.2461 55.6349 30.3253 176.1370 123 N 4.3568 7.9428 115.0946 54.0982 36.6849 174.6299 124 K 4.2775 8.1708 117.2738 56.4428 33.0294 177.6709 125 K 4.3291 8.9543 122.1705 58.4551 33.5377 176.6503 126 N 5.4929 8.0824 115.3406 51.3646 43.4334 173.3054 127 I 5.2696 8.7017 121.5281 59.1997 41.5413 174.3360 128 W 5.9553 8.6873 125.0782 55.6707 32.2182 172.9790 129 L 3.7413 8.4019 117.6222 54.8762 42.1225 174.0132 130 G 4.4031 8.4999 107.5105 44.4065 0.0000 172.8357 131 V 4.7027 8.6389 125.1497 59.0530 34.5666 174.9894 132 W 5.6164 9.4593 134.1457 57.2532 30.8618 176.5590 133 E 4.0595 9.6841 125.6776 58.9215 29.0902 178.1404 134 K 3.8392 7.0516 117.0464 57.3908 33.0951 176.9784 135 N 4.5670 7.6992 120.5073 51.9294 37.4381 174.9594 136 E 3.9986 7.9268 121.9604 59.2798 30.0863 178.6559 137 N 4.2888 8.0560 115.8541 56.1730 38.6124 177.1519 138 A 3.7822 7.8574 121.6469 55.0451 18.4937 179.4263 139 I 3.8157 7.7720 118.0407 64.7070 37.2659 178.4559 140 A 3.9939 8.0254 121.4511 55.0085 17.9255 179.4347 141 F 4.0821 7.7268 117.6597 61.8083 39.7094 176.7059 142 Y 3.9519 7.7578 116.4392 60.8341 37.3516 178.7551 143 K 4.3759 8.1705 120.2658 58.5236 32.4639 180.5037 144 K 4.2913 7.9091 120.4337 55.9224 32.0722 177.5846 *146 G 3.8277 7.9386 104.7981 44.5685 0.0000 173.3676 147 F 4.6673 8.5482 119.5059 56.8947 40.5191 175.2334 148 V 4.5726 8.3603 114.3011 59.4048 35.3513 175.2209 149 Q 4.5384 8.8381 125.4777 56.4177 28.9718 175.6478 150 T 4.4363 8.9048 116.4458 61.8305 70.8048 174.0177 151 G 4.1530 7.4379 106.3733 46.6366 0.0000 171.7978 152 A 5.3483 8.6367 119.8797 51.1454 22.5468 175.9007 153 H 4.9553 9.4819 119.9246 54.9592 33.6236 173.3284 154 S 5.0567 8.7214 121.7035 58.7020 63.8979 173.0420 155 F 4.8193 8.6717 116.1355 56.5078 41.5620 173.5399 156 Y 4.7881 8.3338 117.4932 56.4872 41.8464 175.4453 *158 G 4.0754 8.7010 112.1098 46.2977 0.0000 173.2914 159 D 4.7143 9.4093 120.0792 52.4806 40.5298 175.2263 160 E 4.5130 7.9918 121.2931 54.5805 30.5853 174.6411 161 E 3.6888 8.6639 127.9553 56.0601 30.5138 175.3896 162 Q 4.5994 8.6868 125.4769 54.2246 33.5222 173.9672 163 T 4.9619 8.4669 115.6312 61.9627 71.9083 172.8350 164 D 5.5702 9.4090 126.0134 52.5687 44.1241 174.7135 165 L 4.8274 9.1865 126.0420 54.0926 43.4689 176.5478 166 I 4.7270 8.7280 124.6316 60.4503 39.6500 174.5868 *168 A 4.8977 8.2015 124.6887 52.3669 20.7230 175.3783 169 K 4.6064 8.6195 119.2273 55.4670 35.8596 175.0398 170 T 4.5287 8.4388 124.3655 62.9040 69.0122 174.5325 171 L 4.5993 8.7823 130.5066 54.8403 43.6697 177.8282 172 I 3.9718 8.3216 128.9994 61.9307 37.3962 175.6355 173 L 4.2625 8.4226 125.9447 56.6290 42.2540 177.1037 174 E 4.6335 7.5189 116.9806 55.1872 32.4806 174.1012 175 H 4.4889 8.7439 123.5789 55.8786 29.5570 175.4998 176 H 4.3612 8.9159 120.0285 57.9462 29.1123 175.3273 177 H 4.5019 8.2357 120.4051 55.7941 29.0625 173.6134 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 2 S 8.19 4.43 0.00 3.84 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 3 V 8.20 5.21 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 1.24 0.00 0.00 1.20 0.00 0.00 4 K 8.36 4.51 0.00 1.74 1.72 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.43 7.81 *6 K 8.52 4.51 0.00 2.20 2.01 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.61 7.81 7 K 8.78 3.87 0.00 1.71 1.59 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.10 0.66 7.81 8 C 8.55 4.34 0.00 2.55 2.36 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 9 S 9.09 4.69 0.00 3.73 3.70 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 10 R 8.30 3.85 0.00 1.79 1.88 0.00 3.15 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 11 E 8.00 4.02 0.00 1.98 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 0.00 2.29 2.30 0.00 12 D 8.05 4.72 0.00 2.65 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 13 L 7.47 3.72 0.00 1.76 1.62 0.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.95 3.94 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 15 T 7.85 3.79 4.53 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 0.97 0.00 0.00 16 L 8.47 3.84 0.00 1.60 1.70 0.32 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.97 3.78 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.57 0.00 18 Q 7.88 3.88 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 19 L 7.71 4.08 0.00 1.67 1.53 0.86 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.85 3.65 0.00 3.20 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 21 I 7.63 3.68 1.95 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 1.59 0.78 0.93 0.00 0.00 22 E 8.29 3.96 0.00 2.18 2.18 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 2.54 2.29 0.00 23 T 7.58 3.77 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 1.36 0.00 0.00 24 F 7.64 4.43 0.00 3.02 3.24 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 0.00 25 N 7.80 4.30 0.00 3.06 2.77 0.00 0.00 6.96 9.07 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 26 D 6.94 4.58 0.00 2.48 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 *35 E 7.87 4.28 0.00 2.07 1.83 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 2.31 2.37 0.00 36 N 8.15 4.47 0.00 2.89 2.85 0.00 0.00 6.43 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 *38 K 8.25 4.33 0.00 1.89 2.11 0.00 1.77 0.00 0.00 1.86 0.00 0.00 3.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.59 1.51 7.81 39 A 7.87 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.52 4.17 0.00 3.08 3.12 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 41 L 7.81 3.80 0.00 2.04 1.91 1.37 1.16 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 42 E 8.23 4.04 0.00 1.96 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 0.00 2.37 2.54 0.00 43 S 7.66 4.63 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 44 A 7.26 4.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 7.34 5.01 0.00 2.97 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 46 N 7.88 4.53 0.00 2.91 2.62 0.00 0.00 6.79 7.22 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 47 T 8.56 3.83 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 1.24 0.00 0.00 48 E 8.21 3.91 0.00 2.15 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 2.38 2.42 0.00 49 Q 8.67 3.91 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 50 L 8.35 4.03 0.00 1.62 1.57 0.91 0.91 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 51 E 7.88 3.86 0.00 2.10 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 2.29 2.27 0.00 52 K 7.92 4.11 0.00 1.85 1.97 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 53 E 8.16 4.09 0.00 2.41 2.36 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 2.43 2.58 0.00 54 L 8.01 4.15 0.00 1.70 1.62 0.64 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.52 4.44 0.00 3.89 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 56 N 7.92 4.60 0.00 3.02 2.84 0.00 0.00 7.03 6.81 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 *58 S 8.25 4.42 0.00 3.95 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 59 S 8.11 5.25 0.00 3.89 3.63 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 60 Q 8.66 4.53 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 1.87 2.14 0.00 61 F 8.81 5.37 0.00 2.77 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 62 F 9.27 5.24 0.00 3.04 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 63 F 9.39 5.79 0.00 2.99 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 0.00 0.00 0.00 0.00 64 I 8.51 4.83 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 73 Y 7.73 5.58 0.00 3.57 3.39 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 74 V 9.06 4.76 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 0.91 0.00 0.00 0.99 0.00 0.00 75 K 9.21 4.78 0.00 1.44 1.50 0.00 1.34 0.00 0.00 1.50 0.00 0.00 2.62 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.83 0.21 7.81 76 V 8.54 4.97 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 0.75 0.00 0.00 1.03 0.00 0.00 77 N 9.09 5.68 0.00 2.54 2.64 0.00 0.00 6.67 7.03 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 78 I 8.41 4.91 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 1.44 0.92 0.94 0.00 0.00 79 D 8.92 4.10 0.00 2.86 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 0.00 0.00 0.00 80 D 8.86 4.71 0.00 2.69 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 81 A 7.91 4.35 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 82 Q 7.81 4.41 0.00 2.42 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.76 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 83 S 9.83 4.48 0.00 4.03 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 84 E 7.97 4.78 0.00 1.67 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.34 0.00 85 E 8.63 3.97 0.00 1.92 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 2.32 2.31 0.00 *87 G 8.34 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 0.00 0.00 0.00 88 A 8.34 4.64 1.33 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 0.00 0.00 0.00 89 E 8.08 4.93 0.00 1.88 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 2.29 2.21 0.00 90 S 8.07 5.29 0.00 4.15 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 91 L 8.97 5.00 0.00 1.75 1.53 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 92 E 9.32 4.21 0.00 1.46 1.50 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 0.00 1.67 1.47 0.00 93 I 7.46 4.23 1.55 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 1.03 0.60 0.81 0.00 0.00 94 E 8.64 4.10 0.00 1.99 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 2.30 2.35 0.00 95 R 7.59 4.75 0.00 1.90 1.95 0.00 3.96 0.00 0.00 3.75 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.81 0.00 96 I 7.35 4.57 1.77 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.42 0.80 0.00 0.00 97 Y 8.76 4.81 0.00 2.80 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 98 I 8.24 5.15 1.79 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 0.72 0.93 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1.64 1.69 0.80 0.95 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 0.00 108 G 7.85 3.35 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 0.00 109 K 8.05 4.20 0.00 1.96 1.99 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.62 7.81 110 H 8.03 4.31 0.00 3.51 3.32 0.00 5.69 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 0.00 111 L 8.08 4.00 0.00 1.88 1.73 0.91 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.30 4.07 0.00 2.06 1.99 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.66 4.39 0.00 2.94 2.87 0.00 0.00 6.65 8.29 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 0.00 114 K 7.99 3.79 0.00 1.84 1.90 0.00 1.36 0.00 0.00 1.33 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.70 0.97 7.81 115 A 7.86 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.17 4.28 0.00 1.83 1.78 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.62 1.60 7.81 125 K 8.95 4.33 0.00 1.68 1.84 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.56 7.81 126 N 8.08 5.49 0.00 2.72 2.69 0.00 0.00 6.56 7.45 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 0.00 127 I 8.70 5.27 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.97 0.86 0.00 0.00 128 W 8.69 5.96 0.00 3.57 3.19 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 0.00 129 L 8.40 3.74 0.00 1.18 1.14 -0.11 -1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.50 4.40 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 0.00 131 V 8.64 4.70 2.18 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 0.92 0.00 0.00 1.16 0.00 0.00 132 W 9.46 5.62 0.00 3.56 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 E 9.68 4.06 0.00 2.15 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 0.00 2.68 2.26 0.00 134 K 7.05 3.84 0.00 0.79 1.14 0.00 1.13 0.00 0.00 1.27 0.00 0.00 3.21 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.08 0.90 7.81 135 N 7.70 4.57 0.00 2.88 2.94 0.00 0.00 7.03 7.38 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 0.00 136 E 7.93 4.00 0.00 1.96 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 2.31 2.30 0.00 137 N 8.06 4.29 0.00 2.68 2.79 0.00 0.00 7.05 8.04 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 0.00 138 A 7.86 3.78 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 0.00 139 I 7.77 3.82 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.95 0.98 0.00 0.00 140 A 8.03 3.99 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 0.00 141 F 7.73 4.08 0.00 2.77 2.93 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 0.00 142 Y 7.76 3.95 0.00 3.09 2.64 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 0.00 0.00 0.00 0.00 143 K 8.17 4.38 0.00 1.90 1.91 0.00 1.70 0.00 0.00 1.52 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.55 7.81 144 K 7.91 4.29 0.00 1.81 1.90 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.48 7.81 *146 G 7.94 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 F 8.55 4.67 0.00 3.01 2.98 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 0.00 148 V 8.36 4.57 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 0.66 0.00 0.00 1.00 0.00 0.00 149 Q 8.84 4.54 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 150 T 8.90 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 1.29 0.00 0.00 151 G 7.44 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 0.00 0.00 0.00 0.00 152 A 8.64 5.35 1.24 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 0.00 0.00 0.00 153 H 9.48 4.96 0.00 3.18 3.19 0.00 5.78 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 0.00 154 S 8.72 5.06 0.00 3.67 3.59 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 0.00 155 F 8.67 4.82 0.00 2.98 2.98 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 0.00 156 Y 8.33 4.79 0.00 3.04 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 *158 G 8.70 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 9.41 4.71 0.00 2.72 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 0.00 160 E 7.99 4.51 0.00 2.05 1.89 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 2.23 2.29 0.00 161 E 8.66 3.69 0.00 1.56 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.47 0.00 162 Q 8.69 4.60 0.00 0.93 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.53 0.00 0.00 0.00 0.00 0.00 1.84 1.58 0.00 163 T 8.47 4.96 4.66 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 1.31 0.00 0.00 164 D 9.41 5.57 0.00 3.09 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 0.00 165 L 9.19 4.83 0.00 1.68 1.64 0.99 0.76 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 0.00 166 I 8.73 4.73 2.07 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.86 0.94 0.00 0.00 *168 A 8.20 4.90 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 K 8.62 4.61 0.00 0.79 0.81 0.00 1.39 0.00 0.00 1.28 0.00 0.00 2.18 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.06 1.15 7.81 170 T 8.44 4.53 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 1.23 0.00 0.00 171 L 8.78 4.60 0.00 1.53 1.40 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 172 I 8.32 3.97 1.78 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 1.35 0.42 0.69 0.00 0.00 173 L 8.42 4.26 0.00 1.60 1.70 0.90 0.87 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 0.00 174 E 7.52 4.63 0.00 1.85 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 0.00 2.17 2.31 0.00 175 H 8.74 4.49 0.00 3.16 3.27 0.00 5.95 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 0.00 176 H 8.92 4.36 0.00 3.19 3.33 0.00 5.84 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 H 8.24 4.50 0.00 3.09 3.20 0.00 5.93 0.00 0.00 0.00 0.00 6.91 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.