NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5296 8.1627 120.3615 55.9771 34.4143 177.3168 2 M 3.9522 8.1144 117.5909 57.9377 32.2808 176.1290 3 D 4.3503 8.3797 117.9608 57.4444 41.8224 177.0494 4 Y 4.1339 7.9352 119.5849 60.7922 38.8301 177.8036 5 L 3.7530 8.3563 120.2470 57.5239 41.4253 179.6659 6 I 3.9814 7.7816 119.4285 64.7330 37.2528 178.4050 7 T 4.1243 8.1510 109.2887 63.7414 68.7314 175.1665 8 Q 4.3248 7.6229 118.8580 54.7016 29.4528 175.4418 9 N 4.1009 7.9506 114.0081 54.2484 36.0787 174.5840 10 G 4.0163 8.8593 100.0063 45.2150 0.0000 174.8385 11 G 3.8858 7.8723 110.7627 47.1667 0.0000 175.5524 12 M 4.0002 8.1563 120.3621 59.0913 32.0886 178.4242 13 V 3.5113 7.4750 111.9604 64.3851 31.5054 178.5503 14 F 4.4519 7.8605 117.0345 60.2702 38.8149 177.7433 15 A 4.0654 8.1236 120.1642 55.0017 18.1796 179.7197 16 V 3.5056 8.0138 116.9708 66.0902 31.6432 177.9835 17 L 4.0082 8.0975 119.8965 58.0527 41.8421 178.8204 18 A 4.2299 8.3102 122.4170 54.9461 18.3704 179.5089 19 M 4.0033 8.1106 116.9706 58.3956 31.9688 178.7756 20 A 3.9894 8.1730 121.1126 55.3326 18.4252 179.6343 21 T 4.0332 8.4758 108.3892 65.1007 68.8747 176.0762 22 A 4.1277 8.1915 124.2962 55.0484 18.3888 179.7510 23 T 3.9457 7.9278 113.8018 66.9191 68.5138 176.8933 24 I 3.5119 7.9476 121.8785 64.6593 37.2619 178.6984 25 F 4.0922 7.8632 118.1183 60.2155 38.6785 178.1702 26 S 4.3281 7.9041 113.6352 61.3332 62.8841 176.7689 27 G 3.6136 8.2941 109.4510 47.5165 0.0000 175.7916 28 I 3.7723 8.1549 122.5906 63.9351 37.0799 178.4712 29 G 3.7159 7.9182 106.2728 48.1937 0.0000 175.8169 30 S 4.5461 8.3716 119.3232 60.5409 62.8050 176.7477 31 A 3.9826 8.2383 123.6489 55.0805 18.0080 179.9204 32 K 4.0287 8.3709 117.3128 59.3290 32.1519 179.9792 33 G 3.5343 8.2468 106.0711 47.8848 0.0000 175.9859 34 V 3.9432 7.9084 123.3320 64.8433 31.5040 177.9879 35 G 3.6702 8.2620 105.5869 48.2485 0.0000 175.1033 36 M 4.1872 8.4058 121.6162 58.5429 32.1990 178.5844 37 T 4.0418 8.1770 115.9145 66.4305 68.5181 176.9648 38 G 3.6327 8.4192 108.2106 47.7872 0.0000 175.5953 39 E 3.9904 8.4131 120.6832 59.1800 29.5098 179.3608 40 A 3.9874 7.9119 120.2691 55.0687 18.4772 179.5911 41 A 3.9650 8.4294 119.5101 55.1996 18.3290 179.7156 42 A 3.9883 8.5216 119.5787 55.2392 18.2215 179.7495 43 A 3.9507 7.7945 118.3596 55.1613 18.7753 179.2472 44 L 4.0619 8.0614 118.8664 58.7331 40.9735 179.4263 45 T 4.2436 8.1838 115.6579 66.4620 68.0773 176.6571 46 T 4.0976 7.6641 111.6466 63.8361 68.6802 175.6023 47 S 4.6804 7.4987 112.4785 58.1200 66.4197 174.3638 48 Q 4.8721 8.6363 120.0520 52.3024 28.6297 174.3459 49 P 4.4559 0.0000 0.0000 64.8312 31.8533 179.1343 50 E 4.0856 8.2362 117.0846 58.4979 29.8792 177.9252 51 K 4.5069 8.0134 119.1636 56.4717 32.5384 178.0101 52 F 4.3560 8.3114 124.0279 61.5300 39.2441 177.3740 53 G 3.4595 8.1235 104.5672 48.0800 0.0000 175.4913 54 Q 3.9713 7.9744 120.0806 58.3079 28.7930 178.4771 55 A 3.9445 7.9843 121.9986 54.9253 18.4991 179.4440 56 L 3.7004 7.9107 119.2592 58.1517 41.8669 179.1009 57 I 3.6146 7.1854 118.3701 64.5447 37.0939 178.0119 58 L 4.1004 7.8158 119.6138 57.8668 41.2575 179.3677 59 Q 3.9519 8.0463 119.4509 59.0939 28.8791 178.1218 60 L 4.2019 7.7182 118.8313 56.4360 41.5077 178.9551 61 L 3.9281 7.2828 118.6977 57.6495 41.7115 176.8210 62 P 5.3193 0.0000 0.0000 62.6464 30.8299 177.8403 63 G 3.8322 8.2808 107.1544 46.1195 0.0000 176.1711 64 T 3.8116 7.7175 111.6276 63.9186 69.1124 176.5054 65 Q 4.3312 8.2887 121.0767 59.3789 28.8179 179.3901 66 G 3.7199 8.4485 106.4977 47.7481 0.0000 175.6985 67 L 4.0161 7.1283 121.0390 57.7560 41.5819 178.9417 68 Y 4.2113 7.9476 117.1616 61.0445 37.7534 179.0295 69 G 4.3025 8.2949 107.9275 47.3837 0.0000 175.4070 70 F 4.1694 8.4379 123.4134 61.0044 39.3221 177.3295 71 V 3.7233 8.3541 117.9138 66.1531 31.4123 177.9745 72 I 3.8176 8.3984 119.4028 64.4874 37.0172 178.1898 73 A 4.0173 8.2788 121.6487 55.2641 18.1889 179.5182 74 F 3.9677 8.2895 119.2114 61.1506 39.1864 177.2136 75 L 3.9854 8.0551 119.5996 58.0206 42.1285 178.7606 76 I 3.6512 7.8377 119.9892 63.9681 36.8327 177.9320 77 F 3.9246 7.9263 122.2335 61.1866 39.1532 176.9431 78 I 3.5010 7.2253 111.0755 62.3714 37.4982 176.0461 79 N 4.7920 7.5750 118.0370 52.9191 38.5940 174.8065 80 L 4.5193 7.1817 117.1146 55.4025 41.0715 178.2119 81 G 3.8396 7.6640 109.4281 44.9158 0.0000 173.0624 82 S 4.6360 7.3378 115.3540 57.4788 65.8790 174.0570 83 D 4.8865 8.3455 112.9979 52.8784 39.3003 175.9422 84 M 4.0679 8.0239 118.4027 56.6398 33.2905 176.2721 85 S 4.4677 8.4830 120.8526 57.9057 65.6043 175.4304 86 V 3.7642 8.2595 121.7455 66.0269 31.2342 178.2327 87 V 3.5010 7.7692 117.6091 66.1462 31.4039 177.6556 88 Q 3.9358 7.9890 118.9745 59.0260 28.8774 178.3125 89 G 3.9383 8.3790 106.8114 48.0923 0.0000 175.7193 90 L 3.9708 8.4261 121.9708 57.3493 41.5366 179.2534 91 N 4.2896 8.3543 116.7743 56.3292 38.4734 177.4511 92 F 4.2632 8.1904 119.2162 60.2871 38.7675 177.4778 93 L 4.1767 8.0127 119.2565 58.2317 42.1331 178.8739 94 G 3.7969 8.5639 105.8640 47.9114 0.0000 175.4248 95 A 4.0756 8.2222 123.3733 54.7453 18.4892 179.5639 96 S 4.3145 8.1608 111.8091 60.6655 63.3376 176.7626 97 L 4.1785 7.7803 123.5020 57.3520 41.4073 177.1854 98 P 4.3630 0.0000 0.0000 65.9595 31.3351 178.5111 99 I 3.8592 7.9675 116.9236 63.7292 37.8855 177.5703 100 A 3.9241 7.9891 121.4551 55.2271 18.2706 179.2346 101 F 4.6376 8.2840 115.3517 59.5940 39.4488 178.6722 102 T 4.2450 8.2770 109.9609 64.5893 68.5820 176.8436 103 G 3.7845 8.3014 108.6662 47.5648 0.0000 175.2556 104 L 3.9818 7.9106 123.0952 58.0508 42.1206 179.1627 105 F 4.2719 8.3851 117.7699 60.3857 38.9659 178.1228 106 S 4.3968 8.7052 114.3261 61.1960 62.8720 176.8116 107 G 3.6445 8.1922 109.3447 47.7047 0.0000 175.7867 108 I 3.7303 7.6604 121.9181 63.9903 36.8935 178.4316 109 A 4.0620 8.2776 121.7227 55.2762 18.2554 179.4572 110 Q 4.0722 8.7464 118.6172 59.1521 29.0618 178.4276 111 G 3.7759 8.2581 106.8465 48.0783 0.0000 175.6993 112 K 4.0403 7.8394 120.8361 59.0279 32.0093 179.7498 113 V 3.5892 7.5572 118.1301 65.8661 31.2977 177.9035 114 A 4.0100 8.3075 119.5079 55.2257 18.5452 179.1136 115 A 4.0754 8.4900 119.4334 55.3107 18.3376 179.7226 116 A 4.1150 8.2622 119.3696 55.1871 18.4094 180.0726 117 G 3.6856 8.1708 104.2268 47.6712 0.0000 175.9703 118 I 3.7840 7.5489 121.8559 64.5935 37.0740 178.4082 119 Q 4.0165 8.0226 118.7415 58.6772 28.4226 178.7177 120 I 3.7288 7.7467 120.5797 64.3496 37.0452 177.8055 121 L 3.8981 7.7790 119.4985 58.2526 41.8986 178.6382 122 A 4.1383 8.0793 119.8560 54.6880 18.4040 179.0290 123 K 4.3222 7.9734 115.1639 57.2679 34.5818 177.6472 124 K 4.7111 8.4176 117.6656 53.5217 32.3128 174.9841 125 P 4.5321 0.0000 0.0000 65.6180 31.6604 179.1201 126 E 4.0557 8.1745 115.1186 58.3317 29.9122 176.8991 127 H 4.7950 8.5834 116.9331 55.6107 29.3562 176.1891 128 A 4.0536 7.8051 125.3084 55.6765 17.9242 180.6942 129 T 3.8173 7.8892 113.8064 66.6157 68.4950 176.5935 130 K 3.7070 8.0546 120.6607 59.3493 32.1060 179.5061 131 G 3.7637 8.0083 105.3681 47.7979 0.0000 175.5324 132 I 3.7139 7.5581 121.7582 64.2044 36.9879 178.5855 133 I 3.6175 7.7501 120.4658 64.3627 36.7183 178.1696 134 F 4.5252 7.5034 116.9508 61.0740 38.7170 177.5540 135 A 4.2133 8.2017 119.6008 55.0181 17.9594 179.4551 136 A 4.0627 8.0588 118.3772 55.1027 18.4560 179.3983 137 M 4.2186 7.6877 116.9608 57.8187 32.3501 178.0053 138 V 4.0762 7.5796 120.3597 63.0569 31.3169 177.8285 *140 T 4.0719 7.9958 117.1936 63.7000 70.5125 176.4955 141 Y 4.1751 7.0891 117.8370 60.4759 37.8164 178.0114 142 A 4.1232 8.0637 121.7477 54.9664 18.5253 179.5128 143 I 3.2034 7.5361 117.8217 64.3759 37.2511 178.3491 144 L 4.0617 7.9698 119.8238 57.8252 41.4890 179.7476 145 G 3.8586 8.0664 106.8774 47.1419 0.0000 175.2878 146 F 4.2349 8.6239 123.5490 61.0441 39.3415 177.3300 147 V 3.3559 8.1710 118.1289 66.0312 31.3385 177.9943 148 I 3.6988 7.8951 119.5070 64.4971 36.8623 178.5539 149 S 4.4225 8.1482 117.3032 60.9077 62.7915 176.3887 150 F 3.7547 8.3975 123.5240 61.3715 38.6392 177.0952 151 L 4.0612 8.1634 118.4948 57.9921 41.2086 179.6562 152 L 4.0023 7.7941 117.7924 57.3356 41.7010 179.4073 153 V 3.7483 7.9599 118.6656 66.0697 31.3239 178.2050 154 L 3.9569 7.4936 116.8261 56.7107 41.4277 177.9296 155 N 4.7009 7.1582 113.6413 52.9999 39.2080 174.2724 156 A 3.8203 7.2666 127.5414 52.7783 18.2712 177.6245 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 M 8.16 4.53 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 2 M 8.11 3.95 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.78 0.00 3 D 8.38 4.35 0.00 2.80 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 4 Y 7.94 4.13 0.00 3.10 3.16 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 5 L 8.36 3.75 0.00 1.93 1.73 0.86 0.91 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 6 I 7.78 3.98 2.08 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 1.61 0.56 0.92 0.00 0.00 7 T 8.15 4.12 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 1.22 0.00 0.00 8 Q 7.62 4.32 0.00 1.57 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 9 N 7.95 4.10 0.00 2.87 2.91 0.00 0.00 6.90 7.78 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 10 G 8.86 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 0.00 0.00 0.00 11 G 7.87 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 12 M 8.16 4.00 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 13 V 7.47 3.51 1.82 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 0.70 0.00 0.00 0.16 0.00 0.00 14 F 7.86 4.45 0.00 3.32 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 15 A 8.12 4.07 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.01 3.51 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 0.99 0.00 0.00 0.97 0.00 0.00 17 L 8.10 4.01 0.00 2.04 2.02 1.02 1.23 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 18 A 8.31 4.23 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 0.00 0.00 0.00 0.00 0.00 19 M 8.11 4.00 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.73 0.00 20 A 8.17 3.99 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.48 4.03 4.46 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 1.47 0.00 0.00 22 A 8.19 4.13 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 23 T 7.93 3.95 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 24 I 7.95 3.51 1.43 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.67 0.11 0.00 0.00 25 F 7.86 4.09 0.00 2.84 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 26 S 7.90 4.33 0.00 4.38 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 0.00 27 G 8.29 3.61 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 0.00 0.00 0.00 28 I 8.15 3.77 1.96 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.61 0.88 0.00 0.00 29 G 7.92 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 30 S 8.37 4.55 0.00 3.88 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 31 A 8.24 3.98 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 32 K 8.37 4.03 0.00 2.03 1.86 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.55 7.81 33 G 8.25 3.53 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 0.00 0.00 0.00 0.00 34 V 7.91 3.94 2.16 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 1.19 0.00 0.00 0.94 0.00 0.00 35 G 8.26 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 36 M 8.41 4.19 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 37 T 8.18 4.04 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 1.25 0.00 0.00 38 G 8.42 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 39 E 8.41 3.99 0.00 2.23 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 2.34 2.52 0.00 40 A 7.91 3.99 1.32 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 0.00 0.00 0.00 41 A 8.43 3.96 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 42 A 8.52 3.99 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 43 A 7.79 3.95 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 44 L 8.06 4.06 0.00 1.81 1.87 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.18 4.24 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 1.23 0.00 0.00 46 T 7.66 4.10 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 1.25 0.00 0.00 47 S 7.50 4.68 0.00 3.99 3.99 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 48 Q 8.64 4.87 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 49 P 0.00 4.46 0.00 2.19 2.40 0.00 3.78 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 50 E 8.24 4.09 0.00 2.16 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 0.00 2.39 2.29 0.00 51 K 8.01 4.51 0.00 2.03 1.87 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.39 7.81 52 F 8.31 4.36 0.00 3.17 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 53 G 8.12 3.46 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 0.00 54 Q 7.97 3.97 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 55 A 7.98 3.94 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 56 L 7.91 3.70 0.00 1.02 1.40 0.85 0.60 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 57 I 7.19 3.61 1.95 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 1.45 0.67 0.86 0.00 0.00 58 L 7.82 4.10 0.00 1.84 1.71 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 8.05 3.95 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 60 L 7.72 4.20 0.00 1.82 1.63 0.85 0.48 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 61 L 7.28 3.93 0.00 1.82 1.76 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 5.32 0.00 2.19 2.08 0.00 4.06 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.05 0.00 63 G 8.28 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 64 T 7.72 3.81 3.61 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 1.05 0.00 0.00 65 Q 8.29 4.33 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.80 2.69 0.00 66 G 8.45 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 67 L 7.13 4.02 0.00 1.49 1.51 0.72 0.61 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 68 Y 7.95 4.21 0.00 3.23 2.99 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 69 G 8.29 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.44 4.17 0.00 3.24 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 71 V 8.35 3.72 2.58 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 1.50 0.00 0.00 1.13 0.00 0.00 72 I 8.40 3.82 2.21 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 2.16 1.23 1.01 0.00 0.00 73 A 8.28 4.02 1.32 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 0.00 0.00 0.00 74 F 8.29 3.97 0.00 2.77 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.06 3.99 0.00 1.88 1.89 0.81 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.84 3.65 1.91 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 1.52 0.66 0.39 0.00 0.00 77 F 7.93 3.92 0.00 2.96 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 78 I 7.23 3.50 1.70 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 1.33 0.61 0.47 0.00 0.00 79 N 7.58 4.79 0.00 2.88 2.95 0.00 0.00 6.74 7.91 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 80 L 7.18 4.52 0.00 1.44 1.30 0.62 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.66 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.34 4.64 0.00 3.92 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 83 D 8.35 4.89 0.00 2.73 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 M 8.02 4.07 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.65 0.00 85 S 8.48 4.47 0.00 4.10 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.26 3.76 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 1.03 0.00 0.00 1.11 0.00 0.00 87 V 7.77 3.50 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.90 0.00 0.00 88 Q 7.99 3.94 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 89 G 8.38 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 90 L 8.43 3.97 0.00 1.67 1.57 0.68 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.35 4.29 0.00 2.67 2.61 0.00 0.00 6.97 8.31 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 92 F 8.19 4.26 0.00 3.41 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.01 4.18 0.00 1.90 1.96 1.08 1.27 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 94 G 8.56 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 95 A 8.22 4.08 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 96 S 8.16 4.31 0.00 4.26 4.35 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 97 L 7.78 4.18 0.00 1.78 1.98 0.97 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.36 0.00 2.35 2.18 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 99 I 7.97 3.86 2.07 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.43 1.12 0.00 0.00 100 A 7.99 3.92 1.17 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 0.00 0.00 101 F 8.28 4.64 0.00 3.27 3.28 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 0.00 102 T 8.28 4.25 4.54 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 1.36 0.00 0.00 103 G 8.30 3.78 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 0.00 0.00 0.00 104 L 7.91 3.98 0.00 2.05 1.85 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.39 4.27 0.00 3.33 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 0.00 106 S 8.71 4.40 0.00 4.38 4.35 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 0.00 107 G 8.19 3.64 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 0.00 0.00 0.00 108 I 7.66 3.73 2.02 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.73 0.95 0.00 0.00 109 A 8.28 4.06 1.47 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 0.00 110 Q 8.75 4.07 0.00 2.28 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 111 G 8.26 3.78 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 0.00 0.00 0.00 112 K 7.84 4.04 0.00 1.98 1.89 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.63 7.81 113 V 7.56 3.59 2.26 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 1.14 0.00 0.00 1.00 0.00 0.00 114 A 8.31 4.01 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 0.00 115 A 8.49 4.08 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 0.00 116 A 8.26 4.11 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 0.00 117 G 8.17 3.69 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 0.00 0.00 0.00 118 I 7.55 3.78 2.07 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 1.73 0.94 0.95 0.00 0.00 119 Q 8.02 4.02 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 120 I 7.75 3.73 2.09 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.90 1.02 0.00 0.00 121 L 7.78 3.90 0.00 1.65 1.88 0.93 0.95 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 0.00 122 A 8.08 4.14 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 0.00 123 K 7.97 4.32 0.00 1.77 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.62 7.81 124 K 8.42 4.71 0.00 1.75 1.82 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.50 7.81 125 P 0.00 4.53 0.00 2.21 2.43 0.00 3.78 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 126 E 8.17 4.06 0.00 2.01 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 0.00 1.96 2.15 0.00 127 H 8.58 4.80 0.00 3.28 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.81 4.05 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 0.00 129 T 7.89 3.82 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 0.00 130 K 8.05 3.71 0.00 1.93 1.58 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.42 7.81 131 G 8.01 3.76 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 0.00 0.00 0.00 132 I 7.56 3.71 2.00 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 0.53 0.88 0.00 0.00 133 I 7.75 3.62 1.69 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.67 0.78 0.00 0.00 134 F 7.50 4.53 0.00 3.22 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.20 4.21 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 0.00 136 A 8.06 4.06 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 0.00 137 M 7.69 4.22 0.00 2.07 2.37 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 2.74 3.02 0.00 138 V 7.58 4.08 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 1.15 0.00 0.00 1.03 0.00 0.00 *140 T 8.00 4.07 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 0.74 0.00 0.00 141 Y 7.09 4.18 0.00 3.25 3.13 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 0.00 142 A 8.06 4.12 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 0.00 143 I 7.54 3.20 1.88 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 1.53 0.77 0.83 0.00 0.00 144 L 7.97 4.06 0.00 1.90 1.76 0.99 0.73 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 0.00 145 G 8.07 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 0.00 0.00 0.00 146 F 8.62 4.23 0.00 2.81 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 0.00 147 V 8.17 3.36 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 1.02 0.00 0.00 0.95 0.00 0.00 148 I 7.90 3.70 1.90 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 1.72 0.94 0.93 0.00 0.00 149 S 8.15 4.42 0.00 4.13 3.95 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 0.00 150 F 8.40 3.75 0.00 2.56 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 0.00 151 L 8.16 4.06 0.00 1.90 1.72 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.79 4.00 0.00 1.80 1.68 0.92 0.76 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 0.00 153 V 7.96 3.75 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.04 0.00 0.00 154 L 7.49 3.96 0.00 1.75 1.65 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.16 4.70 0.00 2.72 2.75 0.00 0.00 7.16 7.84 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 0.00 156 A 7.27 3.82 0.19 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 * Residues marked with a * may have inaccurate shift predictions.