NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 N 4.7534 8.2833 118.2210 51.7111 38.9699 174.8003 18 P 4.1307 0.0000 0.0000 65.7482 31.1832 177.3508 19 N 4.3988 8.4542 115.1116 56.2985 38.9925 176.6129 20 E 3.9324 9.0809 120.9124 59.1775 29.7415 178.6333 21 A 3.9171 8.2009 120.8370 55.2721 18.2509 178.8529 22 Y 4.1677 8.1304 116.8679 61.1409 38.9926 178.2533 23 R 3.9313 7.8669 117.4452 59.4708 30.4207 178.1676 24 H 4.1710 8.1808 117.8486 59.4270 29.7546 178.5153 25 Y 4.2876 7.5415 116.0643 58.2539 37.5980 178.3104 *27 K 3.9884 8.0276 122.8986 56.3121 34.1609 177.5968 28 K 4.0068 8.0685 119.3149 59.6615 31.9282 178.8047 29 L 4.0583 8.1902 119.5115 57.5164 41.2733 179.3520 30 S 4.1764 7.5279 113.0591 60.3586 63.2325 174.2612 31 Y 4.9590 7.5471 119.5386 57.8441 39.1368 174.5895 32 E 5.2048 7.8479 116.7368 55.3803 33.4955 173.9836 33 T 4.5758 8.2197 110.8558 61.4502 70.8057 171.9488 34 D 5.1268 8.3949 126.0967 51.5857 42.5087 177.0204 35 I 3.8651 8.6222 118.8493 64.6738 36.7178 178.3241 36 A 3.9872 8.0346 120.6932 55.4523 18.4562 179.2426 37 D 4.3274 9.4557 118.3937 57.3376 40.8451 178.8707 38 L 4.0258 8.2180 121.0998 58.2663 42.3231 179.1365 39 S 4.5406 8.7181 114.4769 61.5517 62.5434 176.7217 40 I 3.8163 7.5007 123.3313 64.3650 36.9618 177.8779 41 D 4.4349 8.0010 119.2770 57.4243 40.6437 179.1081 42 I 3.7472 8.0637 120.3177 64.3538 36.9763 178.3971 43 K 4.0405 7.8494 118.7374 59.1055 32.1110 178.0020 44 K 4.4196 8.3381 116.2400 55.4854 32.2523 177.0485 45 G 3.9567 7.9729 107.0692 46.2516 0.0000 173.4576 46 Y 4.2469 8.1891 121.2883 58.1325 38.9835 176.4019 47 E 4.4124 8.3810 125.2593 56.2782 29.9408 176.5435 48 G 3.5178 5.6869 105.4450 45.8155 0.0000 173.5031 49 I 5.2918 7.1135 112.6164 58.9965 41.4054 174.8964 50 I 4.4303 8.4339 123.1200 59.5259 40.5148 174.7902 51 V 4.3182 8.3359 127.9119 62.0454 33.1539 174.6053 52 V 4.5932 8.9130 128.4557 60.9695 34.2103 173.9254 53 D 3.5515 8.7604 129.4020 53.5008 41.7939 176.3876 54 V 4.6880 7.7040 118.9629 60.8234 32.7170 177.1877 55 R 4.2409 7.9149 121.7928 55.1335 31.7010 175.5915 56 D 4.4993 8.5923 117.4031 54.5036 42.6732 177.3684 57 A 3.9824 8.5559 123.9707 55.6349 18.5996 180.0153 58 E 4.0278 8.2984 116.8209 59.0472 29.7314 178.7242 59 A 4.1386 7.9820 120.8479 55.2668 18.3444 178.7951 60 Y 3.9217 7.8149 116.9789 60.6622 39.0906 177.7068 61 K 4.1459 8.3852 120.6637 59.4247 32.2124 178.6761 62 E 4.0618 8.1757 118.5526 58.1301 29.5115 176.3870 63 C 5.0536 7.5638 116.7181 58.6768 35.2082 172.8907 64 H 4.8938 8.7295 120.9158 54.1007 32.3941 172.6047 65 I 3.7834 8.3557 120.4133 60.0769 37.9097 174.3891 66 P 4.5270 0.0000 0.0000 64.6019 31.5743 176.8152 67 T 3.3793 8.6627 110.1619 61.7358 67.5955 171.4643 68 A 4.7479 7.8312 124.3897 51.6611 19.7103 177.2589 69 I 4.3428 8.6781 115.0799 59.5019 40.7257 174.2227 70 S 4.3894 7.6965 117.6421 56.8355 63.7708 174.4283 71 I 4.3319 8.2774 127.6309 59.3024 40.2153 171.5116 72 P 4.4890 0.0000 0.0000 61.8395 32.0600 177.1071 73 G 3.7638 9.1375 113.9485 48.9916 0.0000 174.7617 74 N 4.6733 8.0533 113.4561 53.0395 37.3286 175.2122 75 K 4.4005 8.0738 116.9232 56.2342 33.0576 175.8957 76 I 3.7778 7.3119 121.8811 60.8198 36.9542 174.8905 77 N 4.6737 7.9030 122.0227 52.1853 39.4360 174.6040 78 E 4.1142 8.7564 116.8053 59.8651 29.7663 178.5230 79 D 4.4601 8.2062 117.7147 57.4846 41.0734 177.4786 80 T 4.0703 8.7148 111.8515 63.7190 67.6958 174.6463 81 T 4.7057 7.5707 109.4248 61.4598 69.2510 176.0221 82 K 4.0618 8.3138 123.1303 60.0362 32.5745 177.5952 83 R 4.4069 7.9170 116.0479 55.8433 30.4878 175.6021 84 L 4.5449 7.6900 119.5113 53.2517 42.8282 176.3975 85 S 4.3679 8.5514 118.4135 57.9933 62.9757 174.5014 86 K 4.2167 8.4985 125.4685 57.4798 32.0012 177.5833 87 E 4.1411 8.2261 119.0937 57.8646 29.7939 176.6277 88 K 4.5384 7.4803 117.9005 55.1910 34.5671 175.7726 89 V 4.5548 8.4900 120.7671 61.4920 33.8834 174.5664 90 I 4.3061 8.7527 129.1671 60.5017 38.7744 174.6985 91 I 4.8995 8.6013 128.6102 59.8552 39.3855 174.7486 92 T 5.1035 8.5188 118.3303 60.4440 71.4916 173.3678 93 Y 5.1012 8.2173 120.0340 56.2129 41.9069 173.1741 94 C 5.3346 8.5577 121.5215 55.6416 48.3124 173.4666 95 W 4.0939 9.4442 115.1835 58.9710 29.5480 176.0251 96 G 4.5014 7.8059 106.5343 45.6117 0.0000 171.8026 97 P 4.2687 0.0000 0.0000 65.5925 31.4673 176.9849 98 A 4.3946 8.1445 117.9379 52.4545 18.8271 177.0775 99 C 4.9529 8.0302 116.2807 55.0291 45.9237 173.5826 100 N 4.8393 8.4511 120.8393 52.9645 39.3065 176.3443 101 G 3.7511 8.0650 106.7072 48.8968 0.0000 175.2944 102 A 4.0290 8.0617 122.8808 55.2413 18.3659 179.7405 103 T 3.8529 7.8392 113.6092 66.7232 68.7102 177.0305 104 K 3.9992 8.2143 120.2669 59.1643 32.0048 179.3613 105 A 3.9236 8.2645 121.0394 55.0351 18.3479 179.2404 106 A 4.0598 8.2189 119.2030 55.5055 18.3270 179.6666 107 A 3.9443 7.8251 118.4992 55.3030 18.2471 180.0242 108 K 3.8527 7.6300 115.1025 59.6311 32.4753 179.2114 109 F 4.1856 8.7630 118.0942 60.5466 38.7666 177.5364 110 A 4.3292 8.6763 120.7710 55.4288 17.9968 179.4994 111 Q 4.0016 8.1868 116.9827 58.8266 29.1013 177.4630 112 L 4.5424 7.6677 117.9697 54.3347 41.7417 177.1255 113 G 3.8006 8.2953 107.1641 46.0761 0.0000 173.8500 114 F 4.6774 8.1682 116.8599 55.6424 41.1605 174.9377 115 R 4.7501 8.5003 123.0803 55.2236 31.3365 175.4027 116 V 5.0799 8.4409 124.8426 60.0512 34.8986 174.7434 117 K 5.0433 9.1937 121.8065 54.6699 36.2687 174.8501 118 E 5.0348 8.7911 121.7101 54.7304 32.0722 174.6920 119 L 4.6856 8.9927 126.0825 54.6725 42.8885 175.8481 120 I 4.1593 8.2748 120.9742 60.9535 38.4321 175.2986 121 G 4.0267 9.9247 114.4990 44.2583 0.0000 175.1509 122 G 4.3307 8.2086 108.3053 45.0956 0.0000 173.3741 123 I 3.7377 7.9228 116.4349 63.2223 37.7353 178.1817 124 E 3.8520 8.4071 120.7309 59.8917 29.5316 178.3841 125 Y 3.9198 8.2421 116.0542 60.0079 37.9844 177.8322 126 W 4.1360 7.9973 130.1339 60.3192 30.6968 178.2418 127 R 3.8462 8.1232 118.0208 59.1620 29.4570 178.9009 128 K 3.8986 7.7514 116.8970 59.3373 31.9798 177.6475 129 E 4.2107 8.1714 116.5606 56.1021 29.1598 175.8589 130 N 4.0208 8.0189 116.1012 54.5662 37.5229 174.5089 131 G 3.0334 7.2741 104.6509 43.8711 0.0000 174.0050 132 E 4.3885 8.3958 119.5327 55.7663 30.4829 176.8083 133 V 4.7503 8.0864 113.7480 59.6881 35.6532 174.8272 134 E 4.6019 9.5255 120.6772 54.3514 32.7510 176.8701 135 G 4.1534 8.0584 106.6392 44.3564 0.0000 173.0627 136 T 4.0877 8.1854 116.9761 65.5733 68.8533 175.8934 137 L 4.5156 8.2766 120.6221 53.7436 44.7305 177.5819 138 G 3.6673 7.7891 106.6966 46.3827 0.0000 175.7287 139 A 4.1768 8.7318 126.9751 53.5740 18.1844 178.1241 140 K 4.2465 7.7722 114.2261 56.4909 32.7371 177.2268 141 A 4.3128 7.7852 122.2514 51.3447 18.9925 177.1840 142 D 4.5404 8.5605 119.9369 54.6315 41.3989 177.1427 143 L 4.1008 8.4657 124.3890 56.6536 42.4980 176.5539 144 F 5.0882 7.6311 115.0463 54.6372 42.4423 174.3512 145 W 2.6603 8.0336 132.5973 56.9396 31.0822 175.2815 146 N 4.2828 7.2357 123.3648 51.6777 40.5803 174.7750 *148 K 4.1446 8.2928 116.6642 55.7680 33.9965 177.0878 149 K 3.7492 7.5126 119.8208 59.0180 32.1328 175.7967 150 E 4.1751 7.8403 122.0834 56.1949 29.5817 175.2595 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 17 N 8.28 4.75 0.00 2.98 3.03 0.00 0.00 6.10 6.88 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 18 P 0.00 4.13 0.00 2.28 2.20 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.26 0.00 19 N 8.45 4.40 0.00 3.00 2.91 0.00 0.00 6.74 7.66 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 20 E 9.08 3.93 0.00 2.01 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 2.33 0.00 21 A 8.20 3.92 1.54 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 22 Y 8.13 4.17 0.00 3.09 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 23 R 7.87 3.93 0.00 2.03 1.98 0.00 3.26 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 24 H 8.18 4.17 0.00 3.11 3.21 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.54 4.29 0.00 2.99 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 *27 K 8.03 3.99 0.00 1.89 1.90 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.35 7.81 28 K 8.07 4.01 0.00 1.77 1.90 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.52 7.81 29 L 8.19 4.06 0.00 1.67 1.67 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.53 4.18 0.00 3.68 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 31 Y 7.55 4.96 0.00 2.89 2.92 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 32 E 7.85 5.20 0.00 1.99 1.97 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 2.48 2.12 0.00 33 T 8.22 4.58 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 1.29 0.00 0.00 34 D 8.39 5.13 0.00 2.83 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 35 I 8.62 3.87 2.09 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.12 1.01 0.00 0.00 36 A 8.03 3.99 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 37 D 9.46 4.33 0.00 2.78 2.74 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 38 L 8.22 4.03 0.00 1.99 1.87 0.69 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.72 4.54 0.00 4.06 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 40 I 7.50 3.82 2.03 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 1.53 0.89 0.90 0.00 0.00 41 D 8.00 4.43 0.00 2.94 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 42 I 8.06 3.75 2.02 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.06 0.98 0.00 0.00 43 K 7.85 4.04 0.00 2.01 2.00 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.52 7.81 44 K 8.34 4.42 0.00 1.87 1.87 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.58 7.81 45 G 7.97 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 0.00 0.00 0.00 0.00 46 Y 8.19 4.25 0.00 2.98 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 47 E 8.38 4.41 0.00 1.83 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 2.16 2.44 0.00 48 G 5.69 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.11 5.29 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 1.06 0.00 0.00 50 I 8.43 4.43 1.71 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 1.05 0.76 0.81 0.00 0.00 51 V 8.34 4.32 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 1.10 0.00 0.00 0.88 0.00 0.00 52 V 8.91 4.59 1.94 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 0.88 0.00 0.00 0.71 0.00 0.00 53 D 8.76 3.55 0.00 2.64 2.44 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 54 V 7.70 4.69 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 0.79 0.00 0.00 0.87 0.00 0.00 55 R 7.91 4.24 0.00 1.79 1.80 0.00 2.21 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.33 0.00 56 D 8.59 4.50 0.00 2.89 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 57 A 8.56 3.98 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 58 E 8.30 4.03 0.00 2.17 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 2.44 2.50 0.00 59 A 7.98 4.14 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 60 Y 7.81 3.92 0.00 2.95 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 61 K 8.39 4.15 0.00 2.01 2.02 0.00 1.97 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.55 7.81 62 E 8.18 4.06 0.00 2.28 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 2.36 2.46 0.00 63 C 7.56 5.05 0.00 2.93 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 64 H 8.73 4.89 0.00 3.06 2.96 0.00 5.51 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.36 3.78 1.36 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 -0.05 -0.33 0.00 0.00 66 P 0.00 4.53 0.00 2.04 2.03 0.00 3.42 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.14 0.00 67 T 8.66 3.38 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 1.21 0.00 0.00 68 A 7.83 4.75 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.68 4.34 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.53 0.88 0.00 0.00 70 S 7.70 4.39 0.00 2.72 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 71 I 8.28 4.33 1.82 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 1.12 0.40 0.79 0.00 0.00 72 P 0.00 4.49 0.00 2.01 1.95 0.00 3.80 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 73 G 9.14 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 74 N 8.05 4.67 0.00 2.79 2.90 0.00 0.00 5.81 7.13 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 75 K 8.07 4.40 0.00 1.78 1.74 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.45 7.81 76 I 7.31 3.78 1.56 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.42 0.07 0.00 0.00 77 N 7.90 4.67 0.00 2.85 2.84 0.00 0.00 6.23 7.66 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 78 E 8.76 4.11 0.00 1.98 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 2.33 2.33 0.00 79 D 8.21 4.46 0.00 2.80 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 80 T 8.71 4.07 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 81 T 7.57 4.71 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 1.13 0.00 0.00 82 K 8.31 4.06 0.00 1.91 2.17 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.48 7.81 83 R 7.92 4.41 0.00 1.83 2.01 0.00 3.36 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 84 L 7.69 4.54 0.00 1.91 1.68 0.83 0.73 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 85 S 8.55 4.37 0.00 3.88 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 86 K 8.50 4.22 0.00 1.64 1.60 0.00 1.39 0.00 0.00 0.61 0.00 0.00 2.39 0.00 0.00 2.22 0.00 0.00 0.00 0.00 1.04 1.11 7.81 87 E 8.23 4.14 0.00 1.95 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 2.41 0.00 88 K 7.48 4.54 0.00 1.59 1.78 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.36 7.81 89 V 8.49 4.55 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 1.12 0.00 0.00 0.98 0.00 0.00 90 I 8.75 4.31 1.39 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.14 -0.33 0.00 0.00 91 I 8.60 4.90 1.85 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 1.26 0.94 0.93 0.00 0.00 92 T 8.52 5.10 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 1.18 0.00 0.00 93 Y 8.22 5.10 0.00 3.01 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 94 C 8.56 5.33 0.00 3.07 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 95 W 9.44 4.09 0.00 3.46 3.43 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 96 G 7.81 4.50 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 97 P 0.00 4.27 0.00 2.21 2.21 0.00 3.98 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.19 0.00 98 A 8.14 4.39 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 99 C 8.03 4.95 0.00 3.06 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 0.00 100 N 8.45 4.84 0.00 2.77 2.71 0.00 0.00 6.90 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 0.00 101 G 8.07 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 0.00 0.00 0.00 102 A 8.06 4.03 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 0.00 103 T 7.84 3.85 4.36 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 1.19 0.00 0.00 104 K 8.21 4.00 0.00 1.93 1.82 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.59 7.81 105 A 8.26 3.92 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 0.00 106 A 8.22 4.06 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.83 3.94 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 0.00 108 K 7.63 3.85 0.00 1.74 1.64 0.00 1.73 0.00 0.00 1.60 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.45 7.81 109 F 8.76 4.19 0.00 3.17 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.68 4.33 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 0.00 111 Q 8.19 4.00 0.00 2.14 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.10 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 112 L 7.67 4.54 0.00 2.23 1.95 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.30 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 0.00 114 F 8.17 4.68 0.00 3.33 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 0.00 115 R 8.50 4.75 0.00 1.99 1.86 0.00 3.24 0.00 0.00 3.42 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 116 V 8.44 5.08 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 0.96 0.00 0.00 0.95 0.00 0.00 117 K 9.19 5.04 0.00 1.68 1.73 0.00 1.67 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.38 7.81 118 E 8.79 5.03 0.00 2.10 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 0.00 2.44 2.28 0.00 119 L 8.99 4.69 0.00 1.67 1.80 1.05 0.98 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 0.00 120 I 8.27 4.16 1.87 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 1.42 0.75 0.94 0.00 0.00 121 G 9.92 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 0.00 0.00 0.00 122 G 8.21 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 0.00 0.00 0.00 0.00 123 I 7.92 3.74 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.28 0.93 0.00 0.00 124 E 8.41 3.85 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 125 Y 8.24 3.92 0.00 3.23 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 W 8.00 4.14 0.00 3.32 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 8.12 3.85 0.00 2.06 1.90 0.00 3.19 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.90 0.00 128 K 7.75 3.90 0.00 1.62 1.73 0.00 0.61 0.00 0.00 1.22 0.00 0.00 2.85 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.26 1.38 7.81 129 E 8.17 4.21 0.00 2.02 1.80 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 2.33 2.30 0.00 130 N 8.02 4.02 0.00 2.69 2.75 0.00 0.00 7.00 7.61 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 0.00 131 G 7.27 3.03 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 0.00 0.00 0.00 132 E 8.40 4.39 0.00 2.11 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 2.31 2.32 0.00 133 V 8.09 4.75 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 0.88 0.00 0.00 0.94 0.00 0.00 134 E 9.53 4.60 0.00 1.65 1.67 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 2.17 2.14 0.00 135 G 8.06 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 0.00 0.00 0.00 136 T 8.19 4.09 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 137 L 8.28 4.52 0.00 1.82 1.68 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.79 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 0.00 139 A 8.73 4.18 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 0.00 140 K 7.77 4.25 0.00 1.86 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.55 7.81 141 A 7.79 4.31 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 0.00 142 D 8.56 4.54 0.00 2.83 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 0.00 143 L 8.47 4.10 0.00 1.36 0.58 0.57 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 144 F 7.63 5.09 0.00 2.95 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 W 8.03 2.66 0.00 1.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 N 7.24 4.28 0.00 2.48 2.31 0.00 0.00 7.18 6.13 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 *148 K 8.29 4.14 0.00 1.75 1.78 0.00 1.61 0.00 0.00 1.53 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.42 7.81 149 K 7.51 3.75 0.00 1.57 1.69 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.35 7.81 150 E 7.84 4.18 0.00 1.98 1.80 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 2.26 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.