NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4357 8.3349 115.4153 58.2926 64.3983 171.9943 10 I 4.2952 8.1254 120.7680 59.2724 38.5182 174.0324 11 I 4.6421 8.4112 125.1243 59.3122 41.5272 174.6066 12 R 4.4174 8.5974 122.4877 54.5337 31.6277 174.5916 13 F 5.0473 8.1345 119.4314 54.9216 40.8217 174.1841 14 S 4.6932 8.5900 115.4262 56.5578 63.7570 173.3149 15 V 4.5576 8.1577 125.6315 61.0494 34.0217 174.5713 16 S 4.8202 8.6202 121.3975 56.6563 64.9128 173.6152 17 L 4.8747 8.1662 124.1891 52.2189 45.0689 177.1006 18 Q 4.1961 8.3875 120.5709 55.6561 30.6585 177.3692 19 Q 3.9991 8.7238 123.8443 59.6198 28.5541 178.8830 20 N 4.3454 8.0918 117.3990 55.9409 37.3730 177.1103 21 L 4.0467 7.8313 120.8695 57.2262 41.7762 178.8820 22 L 3.9293 7.9949 120.3737 58.3541 42.0593 178.7798 23 D 4.3390 8.3812 119.0818 57.3344 40.7201 178.4346 24 E 3.9940 7.8507 119.1071 58.8490 29.6675 178.4557 25 L 3.9356 8.1239 120.6440 58.2224 42.0742 178.6996 26 D 4.3708 8.4187 119.1597 57.5458 40.6771 178.5931 27 N 4.3996 8.2128 117.0069 56.1995 38.5041 177.4852 28 R 3.9533 8.0700 120.2677 59.0755 30.0442 178.5275 29 I 3.8201 7.8946 119.8858 64.4170 36.7547 178.4535 30 I 3.7332 7.6079 120.0860 64.4854 36.8380 178.4895 31 K 3.9345 8.1531 118.2111 59.2295 32.0404 178.1784 32 N 4.8618 8.3161 113.4637 52.5974 39.1113 175.5925 33 G 3.7783 7.8593 108.1550 46.2027 0.0000 173.6608 34 Y 4.1537 8.0847 116.7654 57.4475 38.6212 175.8797 35 S 4.6671 10.1300 117.4677 59.4065 64.4061 175.2523 36 S 4.6385 7.6760 113.3883 55.9391 66.2977 175.5257 37 R 3.8214 8.5281 122.4548 59.7632 29.7993 178.9524 38 S 3.9762 8.0704 112.0349 61.4969 62.2747 175.8062 39 E 3.9257 8.1446 121.7197 59.2632 29.3823 178.5377 40 L 3.4325 7.8290 120.4598 57.8466 42.0655 179.1234 41 V 3.4828 8.0036 118.5846 65.7701 31.4095 177.6811 42 R 3.9026 8.1056 118.7053 59.9668 29.7359 178.2103 43 D 4.4129 8.2339 118.2191 57.4053 40.7204 178.8771 44 M 4.0589 8.1790 119.5471 58.4596 31.9954 178.3651 45 I 3.6476 8.1410 120.2211 64.8319 37.1669 178.1369 46 R 3.8545 8.1075 118.3274 59.6352 29.7781 177.6984 47 E 4.1923 7.7614 120.5013 59.3713 29.8730 178.6819 48 K 4.0679 8.3185 122.9176 59.4768 33.1001 179.8801 49 L 4.5408 7.7806 119.5771 52.6646 40.0243 178.0271 50 V 4.2027 6.8962 114.6919 62.0868 33.7037 171.2396 *58 N 4.5713 8.0608 118.2803 52.8498 40.5848 172.5835 59 P 4.1168 0.0000 0.0000 62.6897 33.1350 175.9061 60 N 4.9645 7.6681 116.7896 52.2632 39.9331 174.2102 61 D 4.8043 8.6126 116.1920 55.1741 41.4453 176.9140 62 E 4.2366 8.1392 120.1996 56.0894 30.7319 176.2284 63 S 4.8057 8.6118 118.5121 58.3551 63.3449 173.2874 64 K 4.8413 9.2961 125.6633 54.5608 36.6204 175.0271 65 I 4.7501 8.1335 121.7405 60.5248 39.6527 174.4683 66 A 5.2304 9.0542 129.2408 50.5695 23.5216 174.9203 67 V 4.9029 8.9194 118.6204 61.2517 35.0434 174.1149 68 L 5.1547 8.8605 127.8829 53.1464 44.0973 175.4462 69 V 4.7894 8.7041 123.7717 61.1930 33.9287 174.3215 70 V 5.2319 8.9933 128.2423 60.2548 34.4165 173.9392 71 I 4.8489 7.5852 128.4876 59.7213 39.2028 174.2233 72 Y 5.2275 8.3566 124.1795 54.8409 41.8130 173.9324 73 D 4.6577 9.5034 121.8211 54.7116 41.5496 176.6124 74 H 4.0969 9.0359 127.3932 59.4506 29.9687 175.7379 75 H 4.5197 8.0342 113.8490 56.4129 28.9827 175.0619 76 Q 4.1256 7.5867 121.4414 55.6409 29.2874 175.7348 77 R 4.1325 8.4976 124.7732 56.9917 31.1671 177.2807 78 E 3.8950 8.9194 118.4333 57.1009 27.9834 176.2873 79 L 3.8787 7.5582 120.3136 58.0415 42.0724 178.2104 80 N 4.0701 8.0468 116.4686 56.6884 38.8642 175.9123 81 Q 3.9063 8.1202 120.3609 59.6741 28.9986 178.6764 82 R 3.8888 8.0407 118.5407 59.7233 30.0349 179.0200 83 M 4.0223 8.2086 118.3933 58.3141 31.9286 178.9028 84 I 3.7100 8.1060 120.3039 64.4617 37.2472 178.0078 85 D 4.3688 8.2775 119.9305 57.6468 40.6898 179.1031 86 I 3.6691 7.8232 119.9458 64.4724 36.8690 178.5182 87 Q 3.9909 8.1107 117.8646 59.2904 28.6460 178.2869 88 H 4.2074 8.5111 115.9769 58.9831 28.8962 177.6342 89 A 4.1056 8.6182 121.3857 53.7874 18.5818 178.0993 90 S 4.1605 7.5985 111.9676 58.5164 62.8617 174.6620 91 G 3.7812 8.5761 114.6907 47.2307 0.0000 174.1344 92 T 4.0704 7.6610 110.2823 61.8967 69.5576 173.6368 93 H 4.7535 9.1712 123.5803 54.7031 31.0046 173.6659 94 V 4.0996 8.1869 126.8479 62.4300 31.3978 175.6331 95 L 4.1550 8.8879 129.4378 57.5173 42.4955 177.2967 96 C 4.7149 7.3558 114.4594 58.8568 34.7335 172.8262 97 T 5.2216 8.7074 121.6059 62.1492 71.8289 173.4183 98 T 4.8045 8.6995 120.8153 62.2193 72.7983 172.6817 99 H 5.6180 8.9862 121.8634 54.0700 32.6450 172.5476 100 I 4.8119 8.5880 114.5662 59.5098 41.7630 173.7148 101 H 4.7778 8.7090 119.6515 55.1558 29.7703 175.5712 102 M 4.2159 8.6794 125.2388 57.5992 32.4025 175.5934 103 D 4.5273 7.3991 116.7346 53.1818 41.7043 174.7297 104 E 4.1153 8.6618 113.1123 58.0891 30.3122 172.8088 105 H 4.5977 8.1085 113.4815 57.3834 30.0135 174.5005 106 N 5.3583 8.5322 116.2465 51.4360 42.3040 173.6056 107 C 4.9747 8.3660 119.6518 57.6410 32.1350 172.5109 108 L 5.0495 8.4498 122.9149 53.2399 44.7489 174.7560 109 E 5.3588 9.5491 126.9679 54.5142 33.2546 174.1890 110 T 5.1636 8.6502 116.0256 59.9587 71.7927 172.8757 111 I 4.9202 8.8567 125.8882 59.5753 40.3399 174.3122 112 I 4.9553 8.7539 128.5621 59.4532 39.3992 174.8290 113 L 5.0699 8.7829 125.8457 54.6184 44.6511 174.5009 114 Q 5.0494 8.9937 118.7210 54.3527 32.4007 175.4068 115 G 4.2279 8.3893 109.0550 46.2136 0.0000 172.2831 116 N 5.8964 8.6324 117.7281 51.1542 38.8450 176.3959 117 S 4.0345 8.3241 113.9453 61.5609 62.5233 177.2319 118 F 4.2332 7.9192 120.0669 60.4650 38.8606 177.5180 119 E 4.0283 9.1383 118.6706 59.5206 29.3078 179.5316 120 I 3.7033 7.8676 119.7837 64.4178 37.1679 178.2713 121 Q 3.9696 8.0531 120.4227 59.0345 28.7872 178.2964 122 R 3.8555 8.0370 119.7422 59.2979 30.1327 177.9832 123 L 3.9173 7.8135 120.1197 58.3760 41.9590 178.6025 124 Q 3.9657 8.1168 119.1573 59.3571 28.9368 178.5493 125 L 4.0075 7.9742 119.7751 57.6494 41.5163 178.8841 126 E 3.9656 8.2522 117.8795 59.8796 29.9161 179.4883 127 I 3.9674 8.0515 119.6104 64.3101 36.9694 178.8000 128 G 3.8224 8.3910 106.0711 47.3188 0.0000 175.0584 129 G 3.8807 7.9957 105.2244 44.2040 0.0000 174.0764 130 L 4.1628 7.3676 122.1832 54.0373 42.3381 176.6139 131 R 4.1211 8.3538 123.3544 57.8511 30.6003 176.5920 132 G 3.9663 9.0834 113.4891 45.1834 0.0000 172.9122 133 V 4.1308 7.2285 119.5147 62.1470 31.6469 175.7896 134 K 4.3604 8.9429 128.8084 59.3731 32.6927 177.2839 135 F 4.9236 7.2625 111.7393 56.0270 41.1010 173.3480 136 A 4.8712 8.8497 120.8829 50.4802 21.0153 175.1237 137 K 4.5232 9.3225 121.6264 55.5490 34.4291 175.6173 138 L 5.0706 8.4795 126.6653 53.8798 43.9810 175.4095 139 T 4.6578 8.9789 122.4714 61.7310 71.4009 173.0625 140 K 5.1275 8.8028 125.1141 54.4902 34.9075 175.6774 141 A 4.9889 8.8016 124.4637 49.1688 22.0183 175.3134 142 S 4.5005 9.2550 117.8720 58.3522 63.9510 175.4629 143 S 3.1576 8.8549 124.1848 61.9457 62.9785 177.3630 *144 F 4.0869 7.8020 117.8513 57.6321 37.9548 177.0090 145 E 4.7322 8.5299 118.2183 56.3468 29.9490 175.8699 146 Y 4.3863 7.2534 123.1788 58.5391 38.0182 173.8138 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 9 S 8.33 4.44 0.00 4.01 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 10 I 8.13 4.30 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 1.43 0.27 0.92 0.00 0.00 11 I 8.41 4.64 1.97 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 1.34 0.92 1.01 0.00 0.00 12 R 8.60 4.42 0.00 1.71 1.79 0.00 3.30 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 13 F 8.13 5.05 0.00 3.13 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 14 S 8.59 4.69 0.00 3.86 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 15 V 8.16 4.56 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 0.96 0.00 0.00 1.10 0.00 0.00 16 S 8.62 4.82 0.00 3.89 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 17 L 8.17 4.87 0.00 1.58 1.53 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.39 4.20 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 19 Q 8.72 4.00 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 20 N 8.09 4.35 0.00 2.97 3.07 0.00 0.00 6.26 6.67 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 21 L 7.83 4.05 0.00 1.89 1.75 0.94 0.57 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 22 L 7.99 3.93 0.00 1.87 1.80 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.38 4.34 0.00 2.95 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 24 E 7.85 3.99 0.00 2.19 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 2.30 2.35 0.00 25 L 8.12 3.94 0.00 1.87 1.79 0.85 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.42 4.37 0.00 2.88 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.21 4.40 0.00 2.93 2.87 0.00 0.00 6.68 7.79 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 28 R 8.07 3.95 0.00 2.01 2.04 0.00 3.16 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 29 I 7.89 3.82 2.07 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 1.52 0.59 1.04 0.00 0.00 30 I 7.61 3.73 2.01 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 1.54 0.88 0.93 0.00 0.00 31 K 8.15 3.93 0.00 1.74 1.92 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.63 7.81 32 N 8.32 4.86 0.00 3.13 3.12 0.00 0.00 7.20 7.23 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 33 G 7.86 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 34 Y 8.08 4.15 0.00 3.01 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 10.13 4.67 0.00 3.94 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.68 4.64 0.00 4.00 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 37 R 8.53 3.82 0.00 1.84 2.00 0.00 3.12 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 1.70 1.69 0.00 38 S 8.07 3.98 0.00 3.81 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 39 E 8.14 3.93 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.42 0.00 40 L 7.83 3.43 0.00 1.21 1.40 -0.05 0.70 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 41 V 8.00 3.48 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 0.87 0.00 0.00 0.92 0.00 0.00 42 R 8.11 3.90 0.00 2.00 2.17 0.00 3.18 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 43 D 8.23 4.41 0.00 2.95 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 M 8.18 4.06 0.00 2.02 2.19 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 2.62 2.51 0.00 45 I 8.14 3.65 2.06 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.76 0.94 0.00 0.00 46 R 8.11 3.85 0.00 1.90 2.02 0.00 3.28 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 1.67 1.69 0.00 47 E 7.76 4.19 0.00 2.29 1.98 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 2.31 2.33 0.00 48 K 8.32 4.07 0.00 1.84 1.73 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.40 1.38 7.81 49 L 7.78 4.54 0.00 1.63 1.67 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 50 V 6.90 4.20 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 0.68 0.00 0.00 0.98 0.00 0.00 *58 N 8.06 4.57 0.00 2.69 2.58 0.00 0.00 7.31 7.69 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 59 P 0.00 4.12 0.00 1.25 1.66 0.00 3.80 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.90 0.00 60 N 7.67 4.96 0.00 2.95 2.94 0.00 0.00 6.25 8.07 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 61 D 8.61 4.80 0.00 2.74 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 62 E 8.14 4.24 0.00 1.93 1.87 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 0.00 2.51 2.40 0.00 63 S 8.61 4.81 0.00 3.91 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 64 K 9.30 4.84 0.00 1.71 1.78 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.41 7.81 65 I 8.13 4.75 1.85 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 1.05 1.42 0.83 0.00 0.00 66 A 9.05 5.23 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 67 V 8.92 4.90 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 1.05 0.00 0.00 0.90 0.00 0.00 68 L 8.86 5.15 0.00 1.64 1.58 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.70 4.79 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 1.18 0.00 0.00 0.97 0.00 0.00 70 V 8.99 5.23 2.28 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 1.34 0.00 0.00 0.96 0.00 0.00 71 I 7.59 4.85 0.85 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 1.18 0.14 0.71 0.00 0.00 72 Y 8.36 5.23 0.00 3.08 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 73 D 9.50 4.66 0.00 2.87 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 74 H 9.04 4.10 0.00 2.97 3.28 0.00 5.80 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.03 4.52 0.00 3.24 3.32 0.00 5.73 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 76 Q 7.59 4.13 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.89 0.00 0.00 0.00 0.00 0.00 2.53 2.39 0.00 77 R 8.50 4.13 0.00 1.92 1.82 0.00 3.31 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 78 E 8.92 3.90 0.00 2.15 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 2.29 2.22 0.00 79 L 7.56 3.88 0.00 1.81 1.66 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.05 4.07 0.00 2.82 2.77 0.00 0.00 6.76 7.12 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 81 Q 8.12 3.91 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.63 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 82 R 8.04 3.89 0.00 2.00 1.95 0.00 3.17 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 1.63 1.84 0.00 83 M 8.21 4.02 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 84 I 8.11 3.71 1.99 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 1.54 0.62 0.92 0.00 0.00 85 D 8.28 4.37 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 86 I 7.82 3.67 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.63 0.91 0.00 0.00 87 Q 8.11 3.99 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 88 H 8.51 4.21 0.00 3.30 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.62 4.11 1.34 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 90 S 7.60 4.16 0.00 3.96 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 91 G 8.58 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 92 T 7.66 4.07 4.39 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 1.23 0.00 0.00 93 H 9.17 4.75 0.00 3.15 3.24 0.00 5.59 0.00 0.00 0.00 0.00 6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.19 4.10 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 0.90 0.00 0.00 0.91 0.00 0.00 95 L 8.89 4.16 0.00 1.58 1.64 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.36 4.71 0.00 2.92 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 97 T 8.71 5.22 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 1.26 0.00 0.00 98 T 8.70 4.80 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 99 H 8.99 5.62 0.00 3.00 3.21 0.00 5.64 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 0.00 100 I 8.59 4.81 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 1.33 0.91 0.93 0.00 0.00 101 H 8.71 4.78 0.00 3.05 3.19 0.00 5.89 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 M 8.68 4.22 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 103 D 7.40 4.53 0.00 2.67 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 0.00 104 E 8.66 4.12 0.00 2.01 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 2.21 1.89 0.00 105 H 8.11 4.60 0.00 3.37 3.33 0.00 5.72 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.53 5.36 0.00 2.56 2.49 0.00 0.00 6.68 8.49 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 0.00 107 C 8.37 4.97 0.00 1.46 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 0.00 108 L 8.45 5.05 0.00 1.61 1.42 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 109 E 9.55 5.36 0.00 2.15 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.85 0.00 110 T 8.65 5.16 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 0.00 111 I 8.86 4.92 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.67 0.89 0.00 0.00 112 I 8.75 4.96 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.71 0.87 0.00 0.00 113 L 8.78 5.07 0.00 1.77 1.69 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.99 5.05 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 115 G 8.39 4.23 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 0.00 116 N 8.63 5.90 0.00 3.13 3.12 0.00 0.00 6.94 7.19 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 0.00 117 S 8.32 4.03 0.00 3.51 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 7.92 4.23 0.00 3.27 3.05 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 0.00 119 E 9.14 4.03 0.00 2.16 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 2.38 2.54 0.00 120 I 7.87 3.70 1.85 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 1.41 1.00 0.91 0.00 0.00 121 Q 8.05 3.97 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 122 R 8.04 3.86 0.00 2.28 1.94 0.00 3.19 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 123 L 7.81 3.92 0.00 1.83 1.86 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 8.12 3.97 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 125 L 7.97 4.01 0.00 1.77 1.71 0.94 1.01 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 0.00 126 E 8.25 3.97 0.00 2.11 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 2.36 2.54 0.00 127 I 8.05 3.97 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.11 0.88 0.00 0.00 128 G 8.39 3.82 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 0.00 0.00 0.00 129 G 8.00 3.88 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 0.00 0.00 0.00 130 L 7.37 4.16 0.00 1.82 1.57 0.86 0.53 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 0.00 131 R 8.35 4.12 0.00 1.77 1.85 0.00 3.21 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 132 G 9.08 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 0.00 133 V 7.23 4.13 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 0.86 0.00 0.00 0.93 0.00 0.00 134 K 8.94 4.36 0.00 1.42 1.82 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.44 7.81 135 F 7.26 4.92 0.00 3.02 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 0.00 136 A 8.85 4.87 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 0.00 137 K 9.32 4.52 0.00 1.69 1.64 0.00 0.83 0.00 0.00 1.20 0.00 0.00 2.32 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.06 7.81 138 L 8.48 5.07 0.00 1.63 1.54 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 139 T 8.98 4.66 4.23 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 1.20 0.00 0.00 140 K 8.80 5.13 0.00 1.60 1.69 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.39 7.81 141 A 8.80 4.99 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 0.00 142 S 9.25 4.50 0.00 3.94 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 0.00 143 S 8.85 3.16 0.00 3.83 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 *144 F 7.80 4.09 0.00 2.32 2.24 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 0.00 145 E 8.53 4.73 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.38 0.00 146 Y 7.25 4.39 0.00 3.07 2.90 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 * Residues marked with a * may have inaccurate shift predictions.