NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 D 4.5600 8.2227 120.5422 54.1809 43.5594 177.1077 14 E 3.5444 8.4159 119.9360 58.9530 29.2475 177.1667 15 A 4.1060 8.0938 119.1356 54.9874 18.9814 178.8919 16 G 3.9719 7.7355 104.4705 47.0323 0.0000 175.5710 17 I 4.0739 7.6970 121.5485 62.9223 37.6758 177.2138 18 T 3.9576 7.1775 115.9603 63.7501 69.1261 174.0716 19 G 3.5673 7.8889 112.4810 44.6213 0.0000 171.3797 20 T 4.6085 7.7202 117.0198 61.5943 70.1977 174.4875 21 W 4.7288 8.4440 125.4118 54.8489 33.0734 174.0660 22 Y 5.3844 9.1319 120.1377 56.4349 41.6549 175.3359 23 N 5.3439 9.0173 120.8807 51.0370 40.3070 175.3784 24 Q 4.3106 8.7248 115.4874 57.1870 29.0435 177.2181 25 L 4.5209 8.1818 116.9813 54.3344 42.1980 177.3518 26 G 4.1080 8.3889 108.2569 44.8765 0.0000 174.3473 27 S 4.4945 8.2547 116.2246 59.6543 64.2697 173.6912 28 T 4.9753 8.8417 119.0963 61.6270 72.3887 172.9932 29 F 5.1532 8.6033 120.3163 54.9194 41.7301 173.7088 30 I 4.8654 8.6988 121.9983 59.5519 39.6411 175.0290 31 V 4.8329 8.7977 126.2412 60.1629 35.3012 174.4210 32 T 4.8156 9.2005 119.5196 61.8097 70.9898 172.9929 33 A 4.9143 8.8107 129.3820 50.5602 20.1008 177.0670 34 G 4.1026 9.3631 110.7077 45.0658 0.0000 174.7484 35 A 4.3936 8.6701 123.1108 54.3946 18.6478 178.3377 36 D 4.4931 8.0531 113.4090 53.6074 39.9860 177.2978 37 G 3.3422 8.0979 109.0218 44.8439 0.0000 173.2880 38 A 4.6026 8.1515 121.7018 51.5607 20.1821 176.5557 39 L 5.3167 8.8909 120.6817 53.1116 44.8876 175.9125 40 T 4.9085 9.0741 113.3108 59.2796 72.2205 174.1100 41 G 4.1365 7.7395 111.3280 46.5001 0.0000 171.3794 42 T 5.1981 8.0702 111.6611 60.1728 72.9633 172.6932 43 Y 5.1804 9.3172 124.4307 55.8590 41.5830 174.2195 44 E 5.7938 9.3858 123.9243 53.6849 33.1249 176.2074 45 S 3.9828 9.3696 117.0101 61.7777 62.0248 175.3533 *48 G 3.9681 8.0792 106.4913 44.9158 0.0000 172.6027 49 N 4.7089 7.6306 116.1630 50.6205 39.4613 175.6258 50 A 3.9741 8.2905 121.0234 55.3032 18.5073 179.8014 51 E 3.4609 7.7175 113.8459 58.6425 29.9598 177.6317 52 S 5.0938 7.8777 114.1906 58.1439 64.2629 173.1408 53 R 5.2226 7.5974 120.7629 54.9546 31.6607 175.0497 54 Y 4.8763 9.1580 122.7990 55.8461 42.5873 174.9266 55 V 4.2901 8.6512 122.7541 62.9969 32.5114 175.0584 56 L 5.1411 8.8582 127.4402 54.4092 43.7960 175.1721 57 T 5.0468 8.5391 114.2384 61.4095 71.4686 173.3713 58 G 4.6290 8.7769 112.1780 46.3994 0.0000 172.0846 59 R 5.5626 8.6581 118.0917 54.9125 34.8418 174.0965 60 Y 5.2775 8.7201 118.9650 55.1937 41.8872 174.6984 61 D 4.3059 9.0866 120.8876 54.0628 40.6531 176.7725 62 S 4.3519 8.1321 120.5391 58.9607 63.7008 175.1320 63 A 4.6545 8.1269 124.0497 50.7874 19.4871 173.6824 64 P 5.0543 0.0000 0.0000 60.1211 33.2383 177.0014 65 A 4.2130 8.3428 121.3416 52.7788 18.6614 177.2435 66 T 4.6485 8.2533 109.4247 62.1652 69.5299 174.9729 67 D 4.8260 8.4800 118.2913 54.1781 39.8473 176.6445 68 G 3.9795 8.4941 107.9837 45.7649 0.0000 174.5510 69 S 4.3593 7.7634 115.3013 57.8625 63.4611 173.9855 70 G 4.1608 8.2891 109.8531 46.1953 0.0000 172.9005 71 T 4.7845 8.9317 116.7164 61.4097 70.0923 174.6432 72 A 4.7949 8.6161 129.4531 52.3144 19.9058 175.8801 73 L 5.0502 8.8815 120.4106 55.4691 44.6366 174.0626 74 G 4.6588 9.3007 105.7668 45.5145 0.0000 171.9061 75 W 5.7464 8.6136 116.8807 55.5612 32.3219 173.4805 76 T 5.2449 9.1313 116.6455 61.8141 72.0902 173.3808 77 V 4.5426 8.6868 124.2242 60.9515 34.4145 173.9769 78 A 4.4768 8.3282 129.8362 49.8938 19.9709 177.8013 79 W 4.0647 8.4311 125.8336 55.9165 28.5087 176.5112 80 K 5.3060 7.8608 118.3077 54.6826 35.0193 174.4228 81 N 5.0770 8.9103 124.0872 52.0590 39.3562 173.7168 82 N 4.4815 8.8114 113.8808 55.1982 39.1677 175.0408 83 Y 4.4822 8.5256 115.9943 58.9678 39.5581 175.8259 84 R 4.7600 7.9554 113.5675 54.7904 32.6761 173.3593 85 N 5.2710 8.4824 116.1140 52.5314 40.9544 173.6439 86 A 4.3017 9.2529 128.6742 51.7356 19.9086 176.1690 87 H 4.1631 8.6532 113.9481 55.9787 26.8235 173.2545 88 S 5.1710 7.4442 111.4937 57.9976 66.8667 174.4933 89 A 4.9229 9.0283 120.8964 50.9101 22.8347 175.2982 90 T 4.9776 8.7494 117.9731 61.7427 71.8025 173.3579 91 T 4.9477 8.4914 115.4912 59.6077 71.9719 172.8587 92 W 4.9922 8.8010 124.1922 54.8032 32.1512 174.4001 93 S 4.9008 8.7775 119.5575 56.7534 64.8691 172.9880 94 G 4.4078 8.5368 113.0787 46.6444 0.0000 171.7357 95 Q 5.2339 8.4210 118.1430 54.9763 32.6322 173.5035 96 Y 4.8079 9.1879 123.3227 56.8274 40.7010 174.1630 97 V 4.1097 8.5258 126.5919 61.0184 34.2619 175.6879 98 G 3.7820 8.0054 115.8571 44.5676 0.0000 170.9602 99 G 3.8865 9.0234 104.6438 43.7346 0.0000 174.7868 100 A 4.0519 8.5407 121.1816 54.1122 18.8911 177.4073 101 E 4.6758 7.7742 115.0771 54.2532 29.7506 175.4411 102 A 4.4139 7.6718 120.5512 53.4023 19.7130 178.8373 103 R 5.2405 9.2356 118.2118 55.2756 35.7542 174.3490 104 I 4.9782 9.2425 123.4211 59.8534 40.0240 174.2688 105 N 5.4004 8.8690 125.5973 52.3448 40.1997 174.7846 106 T 5.3195 9.1703 112.9573 60.2044 73.2314 172.5478 107 Q 5.2237 9.1268 121.2431 53.8678 32.1016 174.8745 108 W 5.3963 8.5703 119.3443 54.7188 32.3029 173.9209 109 L 5.2623 8.8837 120.6648 52.9630 44.7813 175.2680 110 L 4.9192 9.3363 126.7819 53.8529 44.1333 174.7733 111 T 5.0409 8.7089 124.0129 62.0047 70.7330 174.1336 112 S 5.0974 8.8844 123.0236 56.7337 64.9848 174.3640 113 G 3.9314 8.6605 111.4543 46.4408 0.0000 173.0393 114 T 4.7752 8.1753 113.4063 59.5133 72.3334 173.1369 115 T 4.1969 8.0377 111.7505 60.8311 70.0738 175.0804 116 E 3.9355 8.7635 121.5251 59.4446 29.2822 178.5538 117 A 4.1926 8.0250 119.4352 54.3944 18.8240 178.1121 118 N 4.5822 7.7337 112.7449 53.2122 38.8694 176.7009 119 A 3.9825 7.7868 124.9686 54.9100 18.1842 180.1626 120 W 4.2863 8.2615 113.3533 58.4807 28.3911 176.8228 121 K 4.1204 6.6111 117.7071 56.1796 32.0562 177.3846 122 S 4.1443 7.8321 116.4583 60.8180 63.4256 173.3867 123 T 5.0662 7.5125 117.0208 61.7226 70.9418 173.6533 124 L 4.6562 8.9501 127.4058 53.8948 43.6292 176.3519 125 V 4.4269 7.7577 120.2326 60.3421 34.6070 175.0415 126 G 2.9785 6.6142 107.7648 45.8012 0.0000 171.3620 127 H 5.3892 7.9787 113.7416 54.4104 31.9896 172.0980 128 D 4.9094 9.1467 117.4255 53.7697 44.7997 173.9693 129 T 5.3601 8.3020 118.9636 61.8294 72.5381 172.9926 130 F 5.5212 9.8425 123.9264 56.1603 42.8307 174.4186 131 T 5.5462 9.1673 111.3911 60.3205 72.4989 174.2841 132 K 3.8747 8.6592 118.7367 56.6329 32.4850 177.0022 133 V 3.9649 7.0138 119.2390 60.4241 32.0105 175.3529 134 K 2.6354 7.9405 129.3080 55.3405 32.3057 174.5323 135 P 4.3727 0.0000 0.0000 62.2323 32.3030 176.7402 136 S 4.3957 8.0642 115.3985 57.6563 65.1276 175.1765 137 A 3.9592 8.4613 123.1159 55.7966 18.1870 178.6288 138 A 3.8833 8.2657 118.9501 54.6585 18.2007 179.3399 139 S 4.0374 8.1267 109.7335 61.7379 63.2192 177.4098 140 I 4.1759 8.3173 125.0107 63.3940 36.7436 178.2649 141 D 4.3425 8.6482 120.0628 57.2719 40.5244 178.6695 142 A 4.0452 7.9557 119.5050 54.6988 18.6026 179.1670 143 A 4.0929 8.2118 119.6415 55.4983 18.3321 179.7552 144 K 3.8064 7.7254 115.4077 59.8192 32.3645 179.0745 145 K 4.1318 8.1242 119.4589 58.8079 31.8226 177.3112 146 A 4.7968 8.0676 119.9911 50.7744 19.9444 173.1244 147 G 3.8883 7.5217 117.4731 46.1503 0.0000 175.3166 148 V 3.8415 8.3833 117.3635 61.7901 32.1481 175.6930 149 N 5.1740 8.6056 119.7148 52.8453 39.5140 174.5272 150 N 4.6402 8.3471 115.7697 53.1925 37.9445 174.7258 151 G 2.0000 8.3965 108.2474 44.4619 0.0000 172.9424 152 N 3.7614 7.4108 116.9046 49.6145 39.0338 173.2413 153 P 4.0795 0.0000 0.0000 62.1507 32.2451 177.0838 154 L 3.8145 8.3057 122.0893 58.2509 42.0907 178.0603 155 D 4.3979 7.8113 115.1573 55.3564 41.2803 176.0921 156 A 4.2937 7.4615 120.3041 53.5210 18.9346 177.2194 157 V 4.1450 7.6327 116.9618 60.9947 32.5167 175.0413 158 Q 4.2954 8.9144 129.7878 54.8371 28.6376 175.4135 159 Q 4.1777 8.5484 123.6892 56.2473 28.7945 176.3339 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 13 D 8.22 4.56 0.00 2.84 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 14 E 8.42 3.54 0.00 2.22 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 2.59 0.00 15 A 8.09 4.11 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 16 G 7.74 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 17 I 7.70 4.07 1.44 0.00 0.00 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 0.73 -0.36 0.55 0.00 0.00 18 T 7.18 3.96 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 1.16 0.00 0.00 19 G 7.89 3.57 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 0.00 20 T 7.72 4.61 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 21 W 8.44 4.73 0.00 1.78 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 0.00 0.00 0.00 0.00 22 Y 9.13 5.38 0.00 2.89 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 23 N 9.02 5.34 0.00 2.82 2.66 0.00 0.00 6.89 7.10 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 24 Q 8.72 4.31 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 25 L 8.18 4.52 0.00 1.80 1.75 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.39 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.25 4.49 0.00 4.15 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 28 T 8.84 4.98 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 0.70 0.00 0.00 29 F 8.60 5.15 0.00 2.93 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 30 I 8.70 4.87 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.58 0.83 0.00 0.00 31 V 8.80 4.83 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 0.97 0.00 0.00 0.78 0.00 0.00 32 T 9.20 4.82 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 1.19 0.00 0.00 33 A 8.81 4.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.36 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 0.00 0.00 0.00 35 A 8.67 4.39 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 36 D 8.05 4.49 0.00 2.78 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 37 G 8.10 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.15 4.60 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 39 L 8.89 5.32 0.00 1.70 1.45 1.02 0.16 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 40 T 9.07 4.91 4.22 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 1.21 0.00 0.00 41 G 7.74 4.14 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 0.00 0.00 0.00 42 T 8.07 5.20 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 1.21 0.00 0.00 43 Y 9.32 5.18 0.00 2.89 2.89 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 44 E 9.39 5.79 0.00 2.06 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 0.00 2.24 2.05 0.00 45 S 9.37 3.98 0.00 4.06 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *48 G 8.08 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 49 N 7.63 4.71 0.00 2.96 2.90 0.00 0.00 6.13 7.95 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 50 A 8.29 3.97 1.25 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 0.00 0.00 51 E 7.72 3.46 0.00 1.70 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 1.84 1.47 0.00 52 S 7.88 5.09 0.00 3.87 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 53 R 7.60 5.22 0.00 1.80 1.83 0.00 3.20 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 54 Y 9.16 4.88 0.00 2.90 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 55 V 8.65 4.29 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 0.79 0.00 0.00 0.95 0.00 0.00 56 L 8.86 5.14 0.00 1.88 1.66 0.58 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.54 5.05 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 1.23 0.00 0.00 58 G 8.78 4.63 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 59 R 8.66 5.56 0.00 1.75 1.78 0.00 3.27 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 60 Y 8.72 5.28 0.00 2.94 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 9.09 4.31 0.00 2.79 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 62 S 8.13 4.35 0.00 3.95 3.36 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 63 A 8.13 4.65 1.22 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 0.00 0.00 64 P 0.00 5.05 0.00 2.27 2.19 0.00 3.45 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.31 0.00 65 A 8.34 4.21 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 66 T 8.25 4.65 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 1.24 0.00 0.00 67 D 8.48 4.83 0.00 2.77 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 68 G 8.49 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 0.00 0.00 0.00 69 S 7.76 4.36 0.00 3.95 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 70 G 8.29 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.93 4.78 4.59 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 1.48 0.00 0.00 72 A 8.62 4.79 1.30 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 73 L 8.88 5.05 0.00 2.11 1.94 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.30 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 0.00 0.00 0.00 0.00 75 W 8.61 5.75 0.00 3.38 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 76 T 9.13 5.24 4.26 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 1.19 0.00 0.00 77 V 8.69 4.54 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 -0.46 0.00 0.00 0.82 0.00 0.00 78 A 8.33 4.48 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 79 W 8.43 4.06 0.00 3.27 2.79 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 80 K 7.86 5.31 0.00 1.90 1.74 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.46 7.81 81 N 8.91 5.08 0.00 2.73 2.58 0.00 0.00 7.08 7.65 0.00 0.00 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 N 8.81 4.48 0.00 2.20 2.55 0.00 0.00 6.65 7.46 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 83 Y 8.53 4.48 0.00 3.08 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 84 R 7.96 4.76 0.00 2.04 2.09 0.00 3.03 0.00 0.00 3.55 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 85 N 8.48 5.27 0.00 2.68 2.63 0.00 0.00 6.91 7.96 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 86 A 9.25 4.30 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 87 H 8.65 4.16 0.00 3.33 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.44 5.17 0.00 4.01 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 89 A 9.03 4.92 1.13 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 0.00 0.00 90 T 8.75 4.98 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 -0.28 0.00 0.00 91 T 8.49 4.95 4.14 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 1.14 0.00 0.00 92 W 8.80 4.99 0.00 1.78 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 0.00 0.00 0.00 93 S 8.78 4.90 0.00 3.78 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 94 G 8.54 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.42 5.23 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 96 Y 9.19 4.81 0.00 3.00 2.88 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 0.00 0.00 0.00 0.00 97 V 8.53 4.11 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 0.92 0.00 0.00 0.91 0.00 0.00 98 G 8.01 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 99 G 9.02 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 0.00 100 A 8.54 4.05 1.30 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 0.00 101 E 7.77 4.68 0.00 1.91 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 0.00 2.18 2.23 0.00 102 A 7.67 4.41 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 0.00 103 R 9.24 5.24 0.00 1.81 1.94 0.00 3.13 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.07 0.00 104 I 9.24 4.98 1.91 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 -0.21 1.15 0.00 0.00 105 N 8.87 5.40 0.00 2.75 2.82 0.00 0.00 6.10 7.11 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 0.00 106 T 9.17 5.32 4.48 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 1.51 0.00 0.00 107 Q 9.13 5.22 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 108 W 8.57 5.40 0.00 2.72 2.40 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 0.00 109 L 8.88 5.26 0.00 1.50 1.54 0.87 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.34 4.92 0.00 1.56 1.70 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.71 5.04 4.22 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 1.24 0.00 0.00 112 S 8.88 5.10 0.00 3.66 3.75 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 0.00 113 G 8.66 3.93 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 0.00 0.00 0.00 114 T 8.18 4.78 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 115 T 8.04 4.20 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 1.20 0.00 0.00 116 E 8.76 3.94 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 2.39 2.46 0.00 117 A 8.02 4.19 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 0.00 118 N 7.73 4.58 0.00 2.63 2.63 0.00 0.00 6.76 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 0.00 119 A 7.79 3.98 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 0.00 120 W 8.26 4.29 0.00 3.61 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 0.00 121 K 6.61 4.12 0.00 1.11 0.74 0.00 0.77 0.00 0.00 1.30 0.00 0.00 2.70 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.66 7.81 122 S 7.83 4.14 0.00 4.15 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 0.00 123 T 7.51 5.07 4.22 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 1.19 0.00 0.00 124 L 8.95 4.66 0.00 1.81 1.76 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.76 4.43 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 0.55 0.00 0.00 0.71 0.00 0.00 126 G 6.61 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 0.00 0.00 0.00 127 H 7.98 5.39 0.00 3.18 3.14 0.00 5.75 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.15 4.91 0.00 3.27 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 5.36 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 130 F 9.84 5.52 0.00 3.14 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 0.00 131 T 9.17 5.55 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 1.43 0.00 0.00 132 K 8.66 3.87 0.00 1.50 1.56 0.00 1.48 0.00 0.00 1.30 0.00 0.00 2.60 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 0.21 7.81 133 V 7.01 3.96 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 0.65 0.00 0.00 0.88 0.00 0.00 134 K 7.94 2.64 0.00 0.79 1.29 0.00 1.68 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.12 0.84 7.81 135 P 0.00 4.37 0.00 2.20 2.02 0.00 3.56 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.18 0.00 136 S 8.06 4.40 0.00 4.06 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 0.00 137 A 8.46 3.96 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 0.00 138 A 8.27 3.88 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 0.00 139 S 8.13 4.04 0.00 4.07 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.32 4.18 2.08 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 1.55 2.01 0.93 0.00 0.00 141 D 8.65 4.34 0.00 2.90 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 0.00 142 A 7.96 4.05 1.30 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 0.00 143 A 8.21 4.09 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 0.00 144 K 7.73 3.81 0.00 1.90 1.93 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.81 7.81 145 K 8.12 4.13 0.00 2.16 1.84 0.00 1.52 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 146 A 8.07 4.80 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 0.00 147 G 7.52 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 0.00 148 V 8.38 3.84 2.12 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 0.76 0.00 0.00 0.97 0.00 0.00 149 N 8.61 5.17 0.00 2.76 3.09 0.00 0.00 7.02 8.00 0.00 0.00 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 N 8.35 4.64 0.00 2.80 2.93 0.00 0.00 6.08 7.00 0.00 0.00 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 G 8.40 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 0.00 0.00 0.00 0.00 0.00 0.00 152 N 7.41 3.76 0.00 1.65 2.53 0.00 0.00 6.21 7.75 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 0.00 153 P 0.00 4.08 0.00 1.94 1.90 0.00 2.20 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.35 0.00 154 L 8.31 3.81 0.00 1.66 1.64 0.89 1.09 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 0.00 155 D 7.81 4.40 0.00 2.59 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 0.00 156 A 7.46 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 V 7.63 4.15 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 0.80 0.00 0.00 0.90 0.00 0.00 158 Q 8.91 4.30 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 159 Q 8.55 4.18 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.42 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.