NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5019 8.3193 117.1240 57.8831 63.9624 173.3578 3 T 4.1123 8.1755 112.8443 59.9022 69.6562 172.0477 4 I 2.1685 7.5366 122.7878 59.4968 39.0841 175.0558 5 P 4.2894 0.0000 0.0000 62.4996 32.0562 176.5763 6 S 4.3705 8.4759 115.3452 60.3172 62.7132 173.9801 7 E 4.6771 7.8033 119.0063 54.8869 30.2732 176.0885 8 I 3.8324 8.5875 124.5458 63.7267 37.4682 176.0431 9 I 4.4227 7.3744 119.1359 59.0477 39.4630 175.5897 10 N 4.5493 8.5571 124.2805 52.2652 38.5347 175.6001 11 W 4.0470 8.4639 128.7222 59.4939 29.0500 178.3445 12 T 3.9934 7.7294 115.5501 66.4435 68.2034 176.5072 13 I 3.8805 7.7230 121.2747 64.3677 37.3470 178.1057 14 L 3.9173 7.8559 121.0773 58.0436 41.7764 178.6039 15 N 4.4422 8.7255 116.9805 56.2085 38.1536 177.1752 16 E 4.0192 7.8872 119.1070 59.4017 29.7899 179.0826 17 I 4.0578 7.7185 119.3880 64.5727 37.2797 178.4449 18 I 4.1835 8.4454 122.3586 63.6704 36.7042 178.2840 19 S 4.3188 8.2781 113.9765 60.5537 62.8532 175.2434 20 M 4.4121 7.8751 121.1461 54.6715 32.5676 175.4970 21 D 4.7420 7.9236 120.8661 54.2459 42.2098 176.7164 *26 D 4.6393 8.4682 118.4781 54.6854 42.7219 177.8795 27 F 4.2097 8.1660 120.3675 61.3509 39.2885 177.0368 28 S 3.5865 9.2365 113.8232 61.2118 62.7597 176.2188 29 K 3.3733 7.9495 123.1511 58.9272 31.8522 178.7221 30 G 3.5039 8.3299 106.2789 47.5923 0.0000 175.4111 31 L 3.8265 7.5816 122.6142 57.9924 41.9647 179.1989 32 I 3.7377 7.7804 120.1152 64.3999 36.9917 178.5222 33 I 3.7023 7.9475 120.9668 64.2492 36.8069 178.2219 34 Q 3.9337 8.2564 120.5900 59.0244 28.8508 178.0606 35 F 4.0066 8.4144 121.9281 61.4423 39.4854 177.0867 36 I 3.8846 8.1125 119.5512 64.5346 36.8579 178.2047 37 D 4.2851 8.0576 119.6297 57.3952 40.6128 178.4915 38 Q 3.8326 8.0778 119.9638 59.0262 28.9228 178.3721 39 A 2.9744 7.4569 121.9253 54.8359 18.2292 179.5414 40 Q 3.8107 7.5163 116.4320 59.3727 28.6842 179.4182 41 T 3.8190 7.8338 116.6315 66.8723 68.4261 176.8654 42 T 3.8176 7.9289 117.9263 66.6849 68.3868 176.6918 43 F 4.4615 8.1863 119.8033 60.6282 38.9172 177.5784 44 A 4.0226 8.1826 120.3551 55.2992 18.1699 179.7004 45 Q 3.9451 8.3344 116.8171 59.3202 28.7810 178.9289 46 M 4.0525 8.4481 120.0941 58.4621 31.9796 178.5419 47 Q 3.9484 8.3727 119.9230 59.1577 29.3282 178.2630 48 R 3.8679 8.1362 119.6949 59.5557 30.0988 178.5162 49 Q 3.9951 8.1100 117.7468 59.0067 28.5035 178.7858 50 L 4.0122 7.7124 118.7578 57.8102 41.7659 178.8460 51 D 4.7048 8.2933 117.1554 53.4741 41.2316 177.3456 52 G 3.7995 7.9727 103.8213 45.3947 0.0000 174.0017 53 E 3.9267 9.6317 123.1709 57.2101 30.5760 175.5439 54 K 3.7448 8.1723 116.8747 57.1463 30.3635 176.0551 55 N 4.6083 8.5804 118.1589 52.5088 39.2989 173.8815 56 L 4.0104 8.3830 129.5156 58.0930 41.7343 179.6050 57 T 3.8243 8.0610 115.8831 66.5171 68.3142 176.3806 58 E 3.9124 8.2846 120.8202 59.1294 29.6895 178.5282 59 L 3.9937 8.0083 119.1365 57.7011 41.6685 178.9385 60 D 4.2858 8.3535 118.1488 57.5292 41.2095 177.9143 61 N 4.3371 8.2399 116.9082 56.5840 38.5926 177.4301 62 L 4.1768 8.4806 120.7256 57.6831 41.6268 179.6725 63 G 3.7155 8.4384 106.0439 48.0292 0.0000 175.1789 64 H 4.1840 8.3089 120.4684 58.9503 29.7615 177.0529 65 F 4.1601 8.2991 122.3904 61.5038 39.3344 176.9594 66 L 3.6407 8.1360 119.7892 57.5134 41.7236 178.6827 67 K 4.0670 7.7946 121.6428 58.8918 32.0158 178.8849 68 G 3.5375 7.6938 105.5443 47.6915 0.0000 175.6339 69 S 4.0433 7.4676 115.1210 61.0251 62.2389 176.1238 70 S 3.5479 8.1768 116.7665 61.4328 62.5361 176.2610 71 A 3.9135 8.2602 124.7736 54.7243 17.9310 179.5360 72 A 3.9207 7.5009 117.8848 54.5546 18.4883 178.8235 73 L 4.2363 7.3009 115.2916 54.1919 42.1531 177.5704 74 G 3.7302 7.8483 107.8950 46.4521 0.0000 174.1898 75 L 4.4770 7.4083 122.6129 53.4667 39.0069 177.1371 76 Q 4.1583 8.1618 121.0154 58.4104 29.1685 178.8890 77 R 4.0217 7.8943 120.2319 59.2725 30.3313 178.4352 78 I 3.8718 7.9582 118.9268 64.5190 37.1829 178.0971 79 A 4.0550 8.1165 121.4908 54.8360 18.2101 179.4768 80 W 4.0300 8.3254 126.7978 60.6981 30.7865 178.2725 81 V 3.6014 8.4419 118.3112 66.3003 30.9063 177.5903 82 C 4.0726 8.3205 116.4052 62.9781 28.0237 175.8222 83 E 3.8752 8.1294 120.7005 59.1931 29.0742 179.1297 84 R 3.7268 7.6324 118.1997 59.0867 30.0799 178.8238 85 I 3.5740 7.7721 119.7814 64.5912 37.1838 178.3672 86 Q 3.9816 8.1733 118.6640 59.2123 28.4942 178.8411 87 N 4.3929 8.0143 117.3190 56.0496 38.5484 177.5810 88 L 4.1921 8.3692 121.1135 57.8343 41.5617 179.8115 89 G 3.6311 8.0888 104.0887 46.8937 0.0000 174.8735 90 R 4.2591 7.3749 117.4674 54.8368 30.5856 176.1920 91 K 3.2363 7.4301 117.0987 57.6162 29.9107 176.2883 92 M 4.3842 8.2712 118.9093 55.9791 32.7514 176.5029 93 E 4.9650 7.9553 116.8498 54.9651 33.4309 174.5930 94 H 4.9753 8.4843 115.3486 55.0470 29.1756 173.0532 95 F 4.9990 8.1170 116.1945 57.1669 42.9549 174.0241 96 F 4.7999 8.5638 123.8288 56.2304 42.2066 172.5914 97 P 4.4428 0.0000 0.0000 62.2856 32.0641 176.1698 98 N 4.8358 8.7754 119.0261 51.8697 39.9265 176.2930 99 K 4.5298 8.3795 122.0766 59.5554 32.2489 178.7287 100 T 3.9271 7.9547 115.5592 66.4895 68.1828 176.3489 101 E 3.9134 8.5115 119.8217 59.5066 29.8463 179.1576 102 L 4.0507 7.7630 118.6992 57.8850 41.7240 179.9774 103 V 3.7862 8.3125 112.2609 63.7713 31.2712 177.8907 104 N 4.5581 7.9213 115.4663 55.0967 38.4884 176.2384 105 T 4.1874 7.6761 110.7477 61.1244 69.4806 174.6602 106 L 4.2659 7.2328 123.1143 54.8441 42.2405 177.5221 107 S 4.1578 8.7553 118.2221 60.6941 63.1053 173.7283 108 D 4.6069 7.6865 119.9283 51.0568 41.7907 175.2128 109 K 4.0904 8.4413 127.6550 58.5029 32.3175 178.0641 110 S 4.3068 8.2002 116.1377 60.8959 62.4587 176.0059 111 I 3.8574 7.3783 121.0877 63.3982 37.7773 176.9017 112 I 4.1095 8.0181 119.8166 61.9307 37.3629 175.5714 113 N 4.2616 8.0113 119.0689 54.8024 38.7735 175.5821 114 G 3.9699 9.5193 110.4288 45.7196 0.0000 172.9241 115 I 4.5700 7.2798 111.1630 58.6302 40.7965 174.1644 116 N 4.6056 8.6500 121.8318 52.6628 38.9334 175.7276 117 I 3.9331 8.4192 119.5981 62.8809 38.0902 176.1623 118 D 4.8197 8.4321 120.6730 53.8824 41.4153 177.4582 119 E 3.8668 8.0445 121.4883 59.4635 29.4597 177.4754 120 D 4.7907 7.9149 114.4074 54.0377 41.1383 176.2388 121 D 4.7274 8.0520 120.4679 54.6253 41.2835 175.6743 122 E 4.7938 9.2213 122.1965 54.4062 33.0999 174.6690 123 E 4.7547 8.5066 117.7515 54.4213 32.7009 174.1235 124 I 4.6058 7.8568 114.1658 59.8492 40.5959 175.2134 125 K 4.1633 8.1137 119.9154 54.3989 34.3697 169.8154 *132 D 4.3905 7.9474 121.7692 53.1309 41.9369 175.3380 133 E 3.9873 8.9972 127.2844 59.8174 29.6311 178.5026 134 N 4.6747 8.7459 116.1449 56.1658 38.4118 177.4031 135 S 4.1229 7.7861 116.9075 61.6411 63.0212 176.4334 136 I 3.5035 7.2006 120.9127 64.8608 36.7746 178.1246 137 Y 4.0879 7.5744 116.6227 60.9106 37.7155 178.1776 138 L 4.0059 8.1970 120.0443 57.9248 41.7283 179.6719 139 I 3.7088 7.9635 119.8702 64.3365 36.9157 178.5657 140 L 4.0531 7.7437 119.4417 57.7276 41.4651 179.5535 141 I 3.5118 8.0334 119.8204 64.0888 37.0083 178.2268 142 A 3.9251 8.2631 122.0557 55.1158 18.2086 179.6281 143 K 3.8890 7.9589 117.8751 59.5399 32.2218 178.9586 144 A 3.1293 7.7853 121.4651 54.4042 18.1071 179.2916 145 L 3.6754 8.1454 119.3178 58.3931 42.1265 178.9452 146 N 4.2371 8.0730 116.3181 56.3206 38.4358 177.1434 147 Q 4.0560 7.9771 120.8872 59.3975 29.1371 178.4570 148 S 4.2357 8.3197 116.5786 61.7519 62.8019 176.9800 149 R 3.8354 7.8225 120.7303 58.8985 29.6482 178.9550 150 L 3.9923 7.8123 119.8024 58.3368 42.1900 178.8374 151 E 4.0635 8.6596 118.9466 59.2630 29.2657 179.2417 152 F 4.5073 8.8373 121.1493 61.2999 39.5199 176.9247 153 K 3.7003 8.1663 119.2197 59.6912 32.0060 178.6262 154 L 3.9746 8.3527 119.1939 57.6502 41.4319 179.4159 155 A 4.0090 8.0732 120.7671 55.2788 18.2802 179.8521 156 R 3.7881 8.0574 116.7147 59.3336 30.0720 179.4338 157 I 3.7088 7.8794 119.6598 64.4075 37.1744 178.3068 158 E 4.0561 8.2308 119.2566 59.5617 29.3083 179.3912 159 L 4.2238 8.6812 119.3239 58.0343 41.6977 179.7832 160 S 4.9079 8.7459 116.8202 61.0983 62.9724 176.9430 161 K 4.0510 8.2593 121.4952 60.1576 32.0166 178.6170 162 Y 4.0105 7.9273 119.9460 60.2997 38.8887 176.5634 163 Y 4.3143 8.2730 114.5001 57.0747 38.5185 174.9734 164 N 4.2605 7.7136 115.1257 53.6479 37.2022 173.8950 165 T 4.4914 7.6961 109.1417 60.8072 70.7468 172.2521 166 N 4.4991 8.7666 125.0485 53.4834 38.4094 175.3057 167 L 4.3043 8.6140 123.3012 54.7399 41.9241 176.6927 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 8.32 4.50 0.00 3.65 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 3 T 8.18 4.11 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 1.12 0.00 0.00 4 I 7.54 2.17 0.56 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.18 0.40 0.00 0.00 5 P 0.00 4.29 0.00 2.01 1.91 0.00 3.56 0.00 0.00 3.38 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 6 S 8.48 4.37 0.00 3.79 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 7 E 7.80 4.68 0.00 1.99 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 2.30 2.32 0.00 8 I 8.59 3.83 1.88 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 1.43 0.86 0.91 0.00 0.00 9 I 7.37 4.42 1.25 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.42 -0.63 0.00 0.00 10 N 8.56 4.55 0.00 2.82 2.61 0.00 0.00 6.86 8.64 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 11 W 8.46 4.05 0.00 3.44 3.20 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 12 T 7.73 3.99 4.47 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 1.23 0.00 0.00 13 I 7.72 3.88 1.92 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 1.50 0.91 0.89 0.00 0.00 14 L 7.86 3.92 0.00 1.52 1.28 0.79 -0.14 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 15 N 8.73 4.44 0.00 2.93 2.94 0.00 0.00 6.95 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 16 E 7.89 4.02 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 17 I 7.72 4.06 2.07 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 1.75 0.62 1.02 0.00 0.00 18 I 8.45 4.18 2.00 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 1.44 1.23 1.09 0.00 0.00 19 S 8.28 4.32 0.00 4.06 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 20 M 7.88 4.41 0.00 1.79 2.38 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.53 0.00 21 D 7.92 4.74 0.00 2.99 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 *26 D 8.47 4.64 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 27 F 8.17 4.21 0.00 3.20 3.33 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 28 S 9.24 3.59 0.00 4.09 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.95 3.37 0.00 1.52 1.68 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.15 0.94 7.81 30 G 8.33 3.50 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 0.00 0.00 0.00 31 L 7.58 3.83 0.00 1.24 1.50 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.78 3.74 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.71 0.92 0.00 0.00 33 I 7.95 3.70 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.60 0.90 0.00 0.00 34 Q 8.26 3.93 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 35 F 8.41 4.01 0.00 3.14 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.11 3.88 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.08 1.03 0.00 0.00 37 D 8.06 4.29 0.00 2.82 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 38 Q 8.08 3.83 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.55 0.00 39 A 7.46 2.97 -0.18 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 40 Q 7.52 3.81 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.53 2.62 0.00 41 T 7.83 3.82 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 1.16 0.00 0.00 42 T 7.93 3.82 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 1.26 0.00 0.00 43 F 8.19 4.46 0.00 3.02 2.86 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 44 A 8.18 4.02 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 45 Q 8.33 3.95 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 46 M 8.45 4.05 0.00 2.05 2.30 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.58 0.00 47 Q 8.37 3.95 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 48 R 8.14 3.87 0.00 2.03 2.01 0.00 3.13 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 49 Q 8.11 4.00 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 50 L 7.71 4.01 0.00 1.77 1.72 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.29 4.70 0.00 2.64 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 52 G 7.97 3.80 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 0.00 0.00 0.00 53 E 9.63 3.93 0.00 1.92 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 2.28 2.33 0.00 54 K 8.17 3.74 0.00 1.86 1.86 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.51 7.81 55 N 8.58 4.61 0.00 2.71 2.85 0.00 0.00 7.28 6.94 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 56 L 8.38 4.01 0.00 1.67 1.82 0.88 0.75 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 57 T 8.06 3.82 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 58 E 8.28 3.91 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 59 L 8.01 3.99 0.00 1.85 1.69 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.35 4.29 0.00 2.80 2.86 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 61 N 8.24 4.34 0.00 2.95 2.85 0.00 0.00 7.12 6.25 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 62 L 8.48 4.18 0.00 1.82 1.76 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.44 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 0.00 0.00 0.00 64 H 8.31 4.18 0.00 3.52 3.61 0.00 5.79 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 65 F 8.30 4.16 0.00 3.16 3.23 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 66 L 8.14 3.64 0.00 1.79 1.66 0.58 0.08 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 67 K 7.79 4.07 0.00 1.99 1.91 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.48 7.81 68 G 7.69 3.54 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 0.00 0.00 0.00 69 S 7.47 4.04 0.00 3.90 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 70 S 8.18 3.55 0.00 4.23 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 0.00 71 A 8.26 3.91 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 72 A 7.50 3.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.30 4.24 0.00 1.11 1.40 0.55 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.85 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.41 4.48 0.00 1.56 1.55 0.39 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.16 4.16 0.00 2.12 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 77 R 7.89 4.02 0.00 1.94 2.19 0.00 3.20 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 78 I 7.96 3.87 2.17 0.00 0.00 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 1.87 0.85 1.18 0.00 0.00 79 A 8.12 4.05 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 80 W 8.33 4.03 0.00 3.56 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 81 V 8.44 3.60 2.38 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 1.13 0.00 0.00 1.47 0.00 0.00 82 C 8.32 4.07 0.00 3.22 3.17 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 83 E 8.13 3.88 0.00 1.99 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 2.16 2.27 0.00 84 R 7.63 3.73 0.00 1.82 1.93 0.00 2.33 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.51 0.00 85 I 7.77 3.57 1.99 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.60 0.87 0.00 0.00 86 Q 8.17 3.98 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 87 N 8.01 4.39 0.00 2.92 2.86 0.00 0.00 7.07 6.74 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 88 L 8.37 4.19 0.00 1.82 1.80 0.86 0.97 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 89 G 8.09 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 0.00 0.00 0.00 90 R 7.37 4.26 0.00 1.89 1.91 0.00 3.29 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 91 K 7.43 3.24 0.00 1.58 1.22 0.00 1.37 0.00 0.00 1.12 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.88 7.81 92 M 8.27 4.38 0.00 1.99 2.20 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.77 0.00 93 E 7.96 4.96 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 94 H 8.48 4.98 0.00 2.72 3.20 0.00 5.48 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.12 5.00 0.00 3.02 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 96 F 8.56 4.80 0.00 3.00 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 97 P 0.00 4.44 0.00 1.81 1.94 0.00 2.20 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.94 0.00 98 N 8.78 4.84 0.00 3.05 3.00 0.00 0.00 6.93 5.90 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 99 K 8.38 4.53 0.00 1.90 1.88 0.00 1.95 0.00 0.00 1.95 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.55 1.67 7.81 100 T 7.95 3.93 4.38 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 1.21 0.00 0.00 101 E 8.51 3.91 0.00 2.09 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 2.32 2.45 0.00 102 L 7.76 4.05 0.00 1.78 1.72 0.75 0.83 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 0.00 103 V 8.31 3.79 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 0.98 0.00 0.00 104 N 7.92 4.56 0.00 2.94 2.85 0.00 0.00 6.97 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 0.00 105 T 7.68 4.19 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 1.16 0.00 0.00 106 L 7.23 4.27 0.00 1.76 1.65 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.76 4.16 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 0.00 108 D 7.69 4.61 0.00 2.73 2.56 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 0.00 109 K 8.44 4.09 0.00 1.86 1.79 0.00 1.78 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.49 7.81 110 S 8.20 4.31 0.00 4.12 4.13 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 0.00 0.00 0.00 0.00 111 I 7.38 3.86 1.90 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 1.54 0.84 0.98 0.00 0.00 112 I 8.02 4.11 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.43 0.92 0.00 0.00 113 N 8.01 4.26 0.00 2.75 2.76 0.00 0.00 6.81 7.82 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 0.00 114 G 9.52 3.97 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 0.00 0.00 0.00 115 I 7.28 4.57 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.73 0.92 0.00 0.00 116 N 8.65 4.61 0.00 2.83 2.75 0.00 0.00 6.89 7.98 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 0.00 117 I 8.42 3.93 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.73 0.93 0.00 0.00 118 D 8.43 4.82 0.00 2.90 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.04 3.87 0.00 2.06 2.04 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 2.35 2.33 0.00 120 D 7.91 4.79 0.00 2.72 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 0.00 121 D 8.05 4.73 0.00 2.72 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 0.00 122 E 9.22 4.79 0.00 1.94 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 2.22 2.33 0.00 123 E 8.51 4.75 0.00 2.01 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 2.15 2.24 0.00 124 I 7.86 4.61 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 1.26 0.73 1.04 0.00 0.00 125 K 8.11 4.16 0.00 1.78 1.59 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.11 0.78 7.81 *132 D 7.95 4.39 0.00 2.69 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 0.00 133 E 9.00 3.99 0.00 2.11 2.01 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 2.54 2.48 0.00 134 N 8.75 4.67 0.00 2.96 2.91 0.00 0.00 7.07 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 0.00 135 S 7.79 4.12 0.00 3.91 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 0.00 136 I 7.20 3.50 1.14 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.89 0.49 0.00 0.00 137 Y 7.57 4.09 0.00 3.16 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 0.00 138 L 8.20 4.01 0.00 1.85 1.72 0.96 0.66 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 0.00 139 I 7.96 3.71 2.02 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 1.50 0.65 0.90 0.00 0.00 140 L 7.74 4.05 0.00 1.86 1.75 0.84 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 141 I 8.03 3.51 1.98 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 1.39 0.59 0.85 0.00 0.00 142 A 8.26 3.93 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 0.00 143 K 7.96 3.89 0.00 1.96 2.03 0.00 1.75 0.00 0.00 1.91 0.00 0.00 3.33 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.74 1.58 7.81 144 A 7.79 3.13 0.38 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 0.00 145 L 8.15 3.68 0.00 1.64 1.77 0.63 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 146 N 8.07 4.24 0.00 2.92 3.01 0.00 0.00 6.70 6.59 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 0.00 147 Q 7.98 4.06 0.00 2.48 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.81 2.69 0.00 148 S 8.32 4.24 0.00 3.65 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 0.00 149 R 7.82 3.84 0.00 1.94 1.97 0.00 3.04 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.24 0.00 150 L 7.81 3.99 0.00 1.79 1.90 0.96 1.36 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 0.00 151 E 8.66 4.06 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.65 0.00 152 F 8.84 4.51 0.00 3.52 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 0.00 153 K 8.17 3.70 0.00 2.02 1.99 0.00 1.90 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.47 7.81 154 L 8.35 3.97 0.00 1.75 1.73 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 155 A 8.07 4.01 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 3.79 0.00 1.85 1.99 0.00 2.21 0.00 0.00 2.69 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.24 0.00 157 I 7.88 3.71 2.05 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 1.53 0.94 0.94 0.00 0.00 158 E 8.23 4.06 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 159 L 8.68 4.22 0.00 1.79 1.97 0.93 1.13 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 0.00 160 S 8.75 4.91 0.00 4.10 4.02 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 0.00 161 K 8.26 4.05 0.00 2.04 2.13 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.74 1.60 7.81 162 Y 7.93 4.01 0.00 3.14 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 0.00 163 Y 8.27 4.31 0.00 3.11 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 0.00 164 N 7.71 4.26 0.00 2.93 2.89 0.00 0.00 6.65 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 T 7.70 4.49 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 1.28 0.00 0.00 166 N 8.77 4.50 0.00 2.75 2.79 0.00 0.00 6.86 7.85 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 0.00 167 L 8.61 4.30 0.00 1.61 1.53 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.