NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 D 4.6055 8.2233 120.3130 53.1890 41.2980 177.2128 25 T 3.6536 8.0755 119.6687 66.6051 68.2471 174.5172 26 R 3.8688 8.0389 120.4271 59.4679 30.6439 178.3285 27 V 2.2703 7.4744 117.5714 65.4359 31.4355 177.9974 28 V 3.2045 7.8019 118.1440 65.5571 31.2896 177.8805 29 A 3.9575 7.9945 120.9735 55.4082 18.4057 179.2374 30 Y 4.5170 7.4051 117.3992 59.1871 38.0965 178.2881 31 G 3.5587 7.8595 108.1886 47.9381 0.0000 175.8986 32 T 4.0100 8.1943 118.5076 66.3236 68.3490 177.1273 33 T 3.9525 8.1342 112.0771 64.7941 68.7196 176.1767 34 D 4.3618 8.1125 120.8127 56.9395 41.2985 177.6615 35 E 3.9751 8.5269 120.2174 59.2488 29.5763 178.3831 36 L 4.0932 8.2698 120.4852 58.4444 42.2617 178.1558 37 N 4.3493 8.5780 117.3943 57.0278 38.7748 176.8018 38 S 4.0916 8.2677 115.2917 61.6165 63.0617 176.5274 39 F 4.0836 8.3014 121.5692 59.9774 38.4863 177.7520 40 V 3.6879 8.3645 118.5548 65.9194 31.0783 178.2876 41 G 3.5994 7.8736 104.4666 47.9673 0.0000 175.5616 42 S 4.2427 8.1381 117.3976 61.1870 62.7904 176.6138 43 A 4.1575 8.0859 124.8963 54.6470 18.1163 179.5028 44 I 3.5166 7.9416 118.8273 64.8263 36.9892 178.4585 45 T 4.0889 7.4445 108.4812 63.8320 68.6960 175.6471 46 Q 4.3292 7.9518 119.8516 55.6077 29.1321 175.2100 47 L 4.5758 7.2057 120.9990 52.3326 43.2319 175.9358 48 D 4.5246 9.0250 123.5955 54.4959 41.6875 177.0801 49 E 4.1526 8.9108 125.5877 59.3790 30.0718 178.1850 50 N 4.5755 8.4510 115.8226 56.1811 39.2264 177.4007 51 T 3.6118 8.2594 113.6576 65.8843 68.6764 174.9164 52 F 5.0426 7.9958 119.6096 56.4555 40.3468 177.2024 53 A 4.1562 8.0649 125.6024 55.3459 18.1084 179.7288 54 D 4.4056 8.1530 116.9586 57.0531 39.5835 178.8663 55 I 3.9866 7.9316 121.6118 63.5868 37.2085 178.4294 56 R 3.9928 8.8735 119.5244 59.3202 29.9954 179.1922 57 G 3.9422 8.3153 105.4278 48.1376 0.0000 175.5320 58 E 4.2073 8.5383 120.9146 59.2128 29.5302 179.4853 59 L 4.1007 8.4579 119.5599 57.7437 41.7311 179.4371 60 F 4.4325 8.2969 117.8429 60.4366 38.8639 177.4783 61 K 3.9153 8.3487 119.1723 59.8103 32.0342 178.8186 62 I 4.1290 8.0613 121.5500 64.0313 36.9706 178.4630 63 Q 4.7188 8.2692 120.2410 58.8195 28.5244 178.4931 64 H 4.1791 8.3052 116.7810 59.0314 28.7728 177.7287 65 E 3.9485 8.3322 120.3308 59.3913 29.1809 179.4642 66 L 4.2747 8.7407 119.5345 57.5685 41.6660 179.2774 67 F 4.0008 8.4305 120.8328 61.3513 39.3310 176.9072 68 D 4.4223 8.4775 118.5396 57.6648 40.6543 178.5375 69 C 4.1732 8.6420 117.7304 62.7156 28.1995 176.4025 70 G 3.6722 8.3308 107.5282 47.7477 0.0000 175.8978 71 G 3.4739 7.4968 107.0924 47.6062 0.0000 175.1627 72 D 4.6690 8.0116 120.3348 57.1741 40.8768 178.6544 73 L 4.2359 7.9057 118.4559 56.7103 42.9811 178.6061 74 A 4.3418 7.3732 124.2342 51.6043 15.2559 177.2928 *76 L 4.2213 7.6777 122.5821 52.6176 43.9287 176.6882 *83 P 4.1282 0.0000 0.0000 62.4992 32.2429 175.8964 84 Y 4.5705 8.0716 116.9392 58.3496 38.4350 176.5721 85 K 4.1339 9.4255 122.9988 58.4455 32.7655 177.7240 86 A 4.1671 8.4033 122.5955 51.3994 19.0424 176.7159 87 K 4.7098 8.1427 121.5164 53.7765 36.0345 176.7797 88 Q 4.0035 8.8026 121.3654 59.7312 28.6444 178.8332 89 E 4.0620 8.3318 118.1384 59.5375 29.1674 179.1272 90 I 3.8393 7.9053 113.8941 63.5368 37.6328 178.5579 91 V 3.8006 7.8805 120.2912 66.0823 31.4045 177.6711 92 D 4.6730 8.1388 119.5341 56.6779 40.6706 178.3849 93 F 4.2181 8.4621 121.0940 61.3697 39.4524 177.0464 94 L 3.9739 7.8571 118.6109 57.9498 40.9123 179.3389 95 E 3.9714 8.3325 118.3378 59.6254 29.4125 179.4350 96 Q 3.9314 8.1158 117.9380 59.1237 28.6902 179.3341 97 R 3.5665 7.7422 118.9191 58.8855 30.0590 178.8877 98 I 3.7841 8.2954 120.0643 64.7088 37.1847 178.1327 99 D 4.3138 8.1248 119.1687 57.2451 40.7722 178.6464 100 A 3.8459 7.7109 121.2096 55.4799 18.2464 179.3759 101 Y 4.3522 7.9233 115.5249 61.1521 37.7110 178.3519 102 I 3.7252 8.0548 120.5243 64.2243 37.2489 178.0004 103 K 4.0704 7.8009 119.5652 59.5125 32.1052 178.2171 104 E 4.0729 7.8900 117.9902 58.1845 29.8996 177.1373 105 A 4.3111 7.5053 120.4945 50.6191 19.3506 175.3353 106 P 4.3035 0.0000 0.0000 62.1483 31.9589 176.3132 107 E 3.8534 8.6935 122.1742 56.5467 29.7033 176.0563 108 L 4.3735 8.5821 131.1456 55.1639 42.9814 177.3357 109 E 4.7746 8.2654 124.3011 54.1418 30.7327 171.6775 110 R 4.5507 7.4041 116.0474 55.5929 34.3580 175.1074 111 F 4.6345 8.5548 119.8893 57.5991 40.3330 174.2759 112 I 4.9864 8.6624 123.6813 59.6803 39.0414 175.3028 113 L 4.7130 9.0572 127.6398 52.7453 43.0974 175.1024 114 P 3.7878 0.0000 0.0000 63.0158 32.4854 175.6093 115 G 3.7864 9.2094 107.1114 44.7623 0.0000 171.3937 116 G 4.1224 9.3500 112.7206 45.0949 0.0000 177.4214 117 S 4.3805 6.5952 116.6826 57.6638 65.7418 174.0546 118 E 3.8835 8.7401 123.0449 59.4810 29.4387 179.1163 119 A 3.8678 7.8858 119.9973 55.0409 18.4822 179.2563 120 A 3.7977 8.0440 119.1061 55.2040 18.4656 179.5523 121 A 3.9556 8.3548 119.9354 55.4776 18.2829 180.0610 122 S 4.0972 8.1048 112.6337 61.5188 63.0095 176.7495 123 L 3.8547 7.6990 122.2892 57.6679 41.3622 179.0005 124 H 4.1693 8.4141 116.5082 58.5834 28.5344 177.9593 125 V 3.4000 7.8093 120.1448 66.1726 31.2846 177.7288 126 C 3.7056 7.5846 116.1873 62.6017 27.8230 176.0234 127 R 4.1109 7.7296 120.3566 59.9364 29.7085 178.7476 128 T 3.9505 7.8382 109.4042 64.7972 68.7278 176.6789 129 I 3.7300 7.8981 122.5034 63.7671 37.0078 178.0528 130 A 4.0963 8.4040 122.2984 55.4410 18.2439 179.9490 131 R 3.9516 7.9676 116.3539 59.1107 29.9263 179.3212 132 R 3.8506 8.0687 118.4737 59.3278 30.1721 178.3037 133 A 4.1515 8.3763 120.9500 55.2620 18.3405 178.9765 134 E 3.9198 8.6058 118.1320 59.7683 29.7127 179.2539 135 R 3.8599 8.0044 117.7964 59.6149 29.9820 178.7299 136 Y 4.0951 7.7530 116.5161 60.9337 37.7684 178.4999 137 V 3.6494 8.0301 119.4018 65.6615 31.5894 178.1869 138 V 3.6366 8.3589 121.1298 66.7212 31.3901 178.8754 139 R 4.0990 7.9039 120.1339 61.3808 29.2485 180.2451 140 L 4.2854 8.2612 121.6382 58.1107 41.8651 178.8848 141 Q 4.1421 8.2220 118.7064 59.3241 29.0087 178.0809 142 Q 4.1362 7.7895 117.7881 58.1986 28.7675 177.4940 143 E 4.4995 7.4654 117.2226 58.1572 30.4681 175.6225 144 G 4.0053 7.9282 107.4140 45.6554 0.0000 172.8800 145 E 4.2729 8.7740 115.7343 55.4367 30.2845 171.7722 146 I 4.6652 7.9269 115.1856 57.8655 41.0992 174.3753 147 N 4.0726 7.9789 119.0585 51.8486 38.4793 173.6592 148 P 4.2987 0.0000 0.0000 65.8709 31.1661 178.2185 149 I 3.7041 7.9128 119.9495 64.3016 36.9464 178.3772 150 V 3.5996 7.6482 119.0474 65.7959 31.3591 177.8819 151 L 3.9624 7.8112 119.5587 58.1105 41.9941 178.6130 152 K 3.9450 8.1239 119.5934 59.6422 31.7061 178.0808 153 Y 4.1200 8.5130 120.2110 60.7546 38.6021 178.0036 154 L 3.9547 8.1561 119.9451 57.6186 41.4259 178.9556 155 N 4.4678 8.3046 116.9694 57.0159 38.8964 177.2165 156 R 3.9683 8.2406 119.5690 59.1349 30.0152 179.0058 157 L 3.6333 7.9745 119.5815 57.6070 41.4919 179.6938 158 S 4.4129 7.8981 114.3734 61.5585 62.9446 176.3637 159 D 4.3985 7.7148 122.4723 57.1603 40.5370 177.9505 160 Y 4.0304 8.3084 120.3884 60.9213 38.8283 178.3353 161 F 4.4060 8.4932 119.0219 60.4228 39.0872 177.4620 162 F 4.0479 8.4621 120.1595 61.2965 39.2568 177.1359 163 A 3.9258 8.1638 120.3620 55.2445 18.1337 180.0822 164 V 3.0211 7.8269 111.1514 64.0293 31.4709 178.6044 165 A 3.7881 7.7933 120.6199 55.1934 18.0847 179.9502 166 R 3.8898 7.4853 116.0790 59.3205 30.0809 179.4298 167 V 3.5327 7.6154 118.0917 65.8164 31.4102 178.3189 168 V 3.6855 7.9763 118.4218 66.1145 31.3911 177.7854 169 N 4.3333 8.1397 116.2290 56.1989 38.3472 177.1773 170 S 4.0927 8.2628 114.6811 61.7667 62.2948 176.6693 171 R 4.0025 8.3092 119.4142 58.8552 29.8775 178.2070 172 L 4.2759 7.9627 116.1675 54.0541 42.6065 176.4074 173 Q 3.4746 7.9108 117.3493 57.3924 26.7961 173.8724 174 V 4.5529 7.7093 108.6259 58.6045 35.4268 174.7330 175 P 4.4892 0.0000 0.0000 62.3752 32.0868 175.9738 176 D 4.4870 8.3304 119.6224 54.3034 41.7701 175.8697 177 V 4.2077 8.1008 120.6837 61.8302 32.7597 174.4770 178 E 4.8692 8.6756 127.7002 55.5142 30.4140 175.9843 179 Y 4.2742 9.3171 128.1243 60.6917 39.5896 176.5255 180 E 4.1357 8.1295 118.1788 55.8953 30.9773 176.9877 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 24 D 8.22 4.61 0.00 2.76 2.91 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 25 T 8.08 3.65 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 1.31 0.00 0.00 26 R 8.04 3.87 0.00 1.91 1.95 0.00 3.28 0.00 0.00 3.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.86 0.00 27 V 7.47 2.27 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 0.68 0.00 0.00 0.86 0.00 0.00 28 V 7.80 3.20 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.74 0.00 0.00 29 A 7.99 3.96 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 30 Y 7.41 4.52 0.00 3.12 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.86 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.19 4.01 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 33 T 8.13 3.95 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 1.37 0.00 0.00 34 D 8.11 4.36 0.00 2.99 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.53 3.98 0.00 2.13 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 2.65 2.54 0.00 36 L 8.27 4.09 0.00 1.89 1.98 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.58 4.35 0.00 3.14 3.01 0.00 0.00 7.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.27 4.09 0.00 3.92 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 39 F 8.30 4.08 0.00 3.20 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 40 V 8.36 3.69 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 1.20 0.00 0.00 1.15 0.00 0.00 41 G 7.87 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 42 S 8.14 4.24 0.00 4.06 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 43 A 8.09 4.16 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.94 3.52 1.85 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.64 0.53 0.00 0.00 45 T 7.44 4.09 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 46 Q 7.95 4.33 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.68 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 47 L 7.21 4.58 0.00 1.76 1.63 0.76 0.11 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 48 D 9.02 4.52 0.00 2.79 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 49 E 8.91 4.15 0.00 2.05 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 2.42 2.41 0.00 50 N 8.45 4.58 0.00 2.87 2.82 0.00 0.00 7.16 7.05 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 51 T 8.26 3.61 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 0.25 0.00 0.00 52 F 8.00 5.04 0.00 3.26 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.06 4.16 1.41 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 0.00 0.00 0.00 54 D 8.15 4.41 0.00 3.18 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 55 I 7.93 3.99 1.97 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.71 0.85 0.00 0.00 56 R 8.87 3.99 0.00 2.00 2.11 0.00 3.50 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 57 G 8.32 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.54 4.21 0.00 2.53 2.31 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 2.85 2.80 0.00 59 L 8.46 4.10 0.00 1.68 1.68 0.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.30 4.43 0.00 3.31 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 61 K 8.35 3.92 0.00 1.94 2.05 0.00 1.22 0.00 0.00 1.12 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.31 7.81 62 I 8.06 4.13 2.11 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.12 1.02 0.00 0.00 63 Q 8.27 4.72 0.00 2.42 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 64 H 8.31 4.18 0.00 3.44 3.37 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.33 3.95 0.00 2.23 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 2.19 2.43 0.00 66 L 8.74 4.27 0.00 1.93 1.86 1.12 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.43 4.00 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 68 D 8.48 4.42 0.00 2.91 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 C 8.64 4.17 0.00 3.15 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 70 G 8.33 3.67 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 0.00 0.00 0.00 71 G 7.50 3.47 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 0.00 0.00 0.00 72 D 8.01 4.67 0.00 2.76 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 73 L 7.91 4.24 0.00 1.90 1.89 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.37 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *76 L 7.68 4.22 0.00 1.70 1.64 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 *83 P 0.00 4.13 0.00 2.19 2.08 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.98 0.00 84 Y 8.07 4.57 0.00 2.99 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 85 K 9.43 4.13 0.00 1.75 1.88 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.42 7.81 86 A 8.40 4.17 1.16 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 0.00 0.00 0.00 87 K 8.14 4.71 0.00 1.76 1.67 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.56 7.81 88 Q 8.80 4.00 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 89 E 8.33 4.06 0.00 2.26 2.23 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 2.36 2.37 0.00 90 I 7.91 3.84 1.88 0.00 0.00 -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 1.51 0.91 0.84 0.00 0.00 91 V 7.88 3.80 2.29 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 1.12 0.00 0.00 1.07 0.00 0.00 92 D 8.14 4.67 0.00 2.94 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 93 F 8.46 4.22 0.00 3.24 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 94 L 7.86 3.97 0.00 1.89 1.69 0.44 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.33 3.97 0.00 2.18 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 2.35 2.55 0.00 96 Q 8.12 3.93 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 97 R 7.74 3.57 0.00 2.03 2.00 0.00 2.83 0.00 0.00 2.48 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.48 0.00 98 I 8.30 3.78 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.93 0.96 0.00 0.00 99 D 8.12 4.31 0.00 2.80 2.66 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 0.00 100 A 7.71 3.85 0.99 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 0.00 0.00 0.00 0.00 0.00 101 Y 7.92 4.35 0.00 2.92 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 0.00 102 I 8.05 3.73 1.95 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 1.47 0.62 0.94 0.00 0.00 103 K 7.80 4.07 0.00 2.13 2.02 0.00 1.92 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.32 7.81 104 E 7.89 4.07 0.00 2.13 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 0.00 2.37 2.37 0.00 105 A 7.51 4.31 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.30 0.00 2.05 2.00 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 107 E 8.69 3.85 0.00 1.90 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 2.29 2.37 0.00 108 L 8.58 4.37 0.00 1.69 1.61 1.06 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.27 4.77 0.00 1.96 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 2.12 1.89 0.00 110 R 7.40 4.55 0.00 1.77 1.87 0.00 3.37 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 111 F 8.55 4.63 0.00 3.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.66 4.99 2.25 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.95 1.01 0.00 0.00 113 L 9.06 4.71 0.00 1.51 1.61 0.99 1.17 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 0.00 114 P 0.00 3.79 0.00 2.10 1.97 0.00 3.75 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 1.95 1.94 0.00 115 G 9.21 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 0.00 0.00 0.00 116 G 9.35 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 0.00 0.00 0.00 117 S 6.60 4.38 0.00 4.04 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 0.00 118 E 8.74 3.88 0.00 2.05 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 2.42 2.38 0.00 119 A 7.89 3.87 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 0.00 120 A 8.04 3.80 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 0.00 121 A 8.35 3.96 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 0.00 122 S 8.10 4.10 0.00 4.07 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 0.00 123 L 7.70 3.85 0.00 1.77 1.69 0.77 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 124 H 8.41 4.17 0.00 3.29 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.81 3.40 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 0.55 0.00 0.00 0.84 0.00 0.00 126 C 7.58 3.71 0.00 2.09 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 0.00 127 R 7.73 4.11 0.00 2.01 2.19 0.00 3.44 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 128 T 7.84 3.95 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 0.00 129 I 7.90 3.73 1.69 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.53 0.93 0.00 0.00 130 A 8.40 4.10 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 7.97 3.95 0.00 2.07 1.98 0.00 3.14 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 132 R 8.07 3.85 0.00 1.92 2.14 0.00 3.26 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 133 A 8.38 4.15 1.48 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 0.00 0.00 134 E 8.61 3.92 0.00 2.15 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 2.32 2.39 0.00 135 R 8.00 3.86 0.00 1.81 1.68 0.00 3.04 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.87 0.00 136 Y 7.75 4.10 0.00 3.15 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 0.00 137 V 8.03 3.65 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 1.11 0.00 0.00 1.08 0.00 0.00 138 V 8.36 3.64 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 0.91 0.00 0.00 0.95 0.00 0.00 139 R 7.90 4.10 0.00 1.89 1.92 0.00 3.33 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 140 L 8.26 4.29 0.00 1.90 1.91 0.99 1.06 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 0.00 141 Q 8.22 4.14 0.00 2.19 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 142 Q 7.79 4.14 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.63 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 143 E 7.47 4.50 0.00 2.14 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 2.30 2.46 0.00 144 G 7.93 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 0.00 145 E 8.77 4.27 0.00 2.00 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 1.86 0.00 146 I 7.93 4.67 1.83 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 1.30 1.12 0.94 0.00 0.00 147 N 7.98 4.07 0.00 1.44 2.13 0.00 0.00 6.62 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 0.00 148 P 0.00 4.30 0.00 2.29 2.29 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 149 I 7.91 3.70 1.98 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 1.50 0.88 0.90 0.00 0.00 150 V 7.65 3.60 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 1.03 0.00 0.00 0.81 0.00 0.00 151 L 7.81 3.96 0.00 1.80 1.82 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.12 3.94 0.00 1.90 1.98 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.48 7.81 153 Y 8.51 4.12 0.00 3.10 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 0.00 154 L 8.16 3.95 0.00 1.93 1.75 1.01 0.46 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 0.00 155 N 8.30 4.47 0.00 2.96 3.00 0.00 0.00 7.23 7.27 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 0.00 156 R 8.24 3.97 0.00 1.87 1.92 0.00 3.36 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.84 0.00 157 L 7.97 3.63 0.00 1.67 1.54 0.79 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 158 S 7.90 4.41 0.00 4.09 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 0.00 159 D 7.71 4.40 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 Y 8.31 4.03 0.00 2.93 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 0.00 161 F 8.49 4.41 0.00 3.14 3.10 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 0.00 162 F 8.46 4.05 0.00 3.24 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 0.00 163 A 8.16 3.93 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 0.00 164 V 7.83 3.02 1.64 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 -0.27 0.00 0.00 0.75 0.00 0.00 165 A 7.79 3.79 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 0.00 166 R 7.49 3.89 0.00 1.84 1.84 0.00 2.58 0.00 0.00 2.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.22 0.00 167 V 7.62 3.53 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.00 0.00 0.00 168 V 7.98 3.69 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 0.69 0.00 0.00 0.36 0.00 0.00 169 N 8.14 4.33 0.00 2.96 3.06 0.00 0.00 6.70 6.87 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 0.00 170 S 8.26 4.09 0.00 3.94 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 0.00 171 R 8.31 4.00 0.00 1.95 1.83 0.00 3.11 0.00 0.00 3.06 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 172 L 7.96 4.28 0.00 1.75 1.76 1.03 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 173 Q 7.91 3.47 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 174 V 7.71 4.55 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 0.79 0.00 0.00 1.04 0.00 0.00 175 P 0.00 4.49 0.00 2.18 2.05 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 176 D 8.33 4.49 0.00 2.69 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 0.00 177 V 8.10 4.21 2.27 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 0.85 0.00 0.00 0.92 0.00 0.00 178 E 8.68 4.87 0.00 1.92 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 2.33 2.33 0.00 179 Y 9.32 4.27 0.00 3.03 3.26 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 0.00 180 E 8.13 4.14 0.00 1.97 1.62 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 2.11 1.83 0.00 * Residues marked with a * may have inaccurate shift predictions.