NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 P 4.4527 0.0000 0.0000 62.8358 32.2540 176.2098 7 T 4.1407 8.6701 116.6213 59.1097 69.0968 168.8671 8 I 4.8611 8.9593 129.1708 57.9070 39.9307 175.2539 9 R 4.4546 8.4463 126.3987 55.2668 31.9886 175.5212 10 L 5.1923 8.3225 121.3103 53.2510 44.4380 175.6582 11 E 4.7566 8.8005 120.8532 54.4799 34.6602 174.5337 12 R 4.3851 8.5091 122.8904 56.2306 30.8944 175.4045 13 Y 4.5312 9.1420 129.0178 58.3265 39.2108 175.3740 14 S 4.4025 8.7622 119.7905 56.3328 66.8936 174.8200 15 E 3.8904 8.4206 120.7865 59.1945 29.5228 179.0774 16 R 4.0638 7.8047 113.1457 58.3371 29.7181 176.9835 17 H 4.8557 9.0285 117.3721 56.0680 29.6171 176.5469 18 V 3.8708 7.6184 121.2956 66.2118 31.3335 177.4277 19 E 4.0447 8.2827 118.2889 59.4484 29.6838 178.9571 20 G 3.6245 8.0731 105.2812 47.6441 0.0000 175.2716 21 L 3.9807 8.3046 122.8593 58.1274 41.8432 179.1038 22 T 3.9384 8.1282 115.6271 66.6621 68.2153 176.4799 23 A 4.0951 8.0145 122.4539 54.7416 17.8315 179.4344 24 L 3.8034 7.8482 118.9384 58.5246 42.0505 178.3636 25 Y 4.3600 7.6349 113.0129 59.0135 38.1728 176.4442 26 N 4.7941 7.5451 116.8289 52.6501 39.2606 174.3261 27 D 4.4918 7.4627 121.0816 52.7645 41.4918 174.6005 28 P 4.2164 0.0000 0.0000 66.1102 31.0583 178.3306 29 A 4.0464 8.0823 118.2675 54.5549 18.6007 179.6523 30 V 3.7213 8.1012 117.2117 65.8942 31.8219 177.8380 31 A 4.1627 8.0754 120.2801 55.3415 17.9736 179.6587 32 R 3.9596 7.9158 112.2779 59.0662 29.5182 177.5199 33 Q 4.7429 7.9237 115.1083 56.3955 29.7010 176.2672 34 V 4.4928 7.8766 113.5980 60.9691 33.2030 176.3256 35 L 4.7995 8.5483 127.2999 55.5643 42.5056 176.5425 36 Q 4.2242 7.9976 117.6701 56.0518 29.3898 175.2248 37 M 4.6365 8.1026 119.3040 53.0087 34.1863 174.4468 38 P 4.4177 0.0000 0.0000 62.6622 32.6689 175.3108 39 Y 3.7146 7.7848 113.8465 59.4175 35.0868 171.0504 40 Q 4.4310 8.5777 117.4433 55.3855 30.3918 176.9018 41 S 4.7643 8.2140 115.1802 57.1979 66.0933 175.5585 42 V 3.7318 8.1589 124.4633 65.8594 31.3910 178.3565 43 E 4.0648 8.2947 120.3350 59.9608 29.4457 179.7568 44 Q 4.1177 8.5047 121.2140 59.9830 28.1668 181.7310 45 R 4.2341 7.9048 118.9191 59.2399 30.2093 178.9044 46 R 3.9288 8.3684 118.8309 59.4946 29.8877 178.4605 47 K 4.0531 8.3201 121.0376 59.8991 31.9174 179.8705 48 R 3.9265 7.9049 120.9867 61.5622 29.4904 180.6231 49 L 4.2204 7.8722 119.0027 58.9227 42.0359 178.7419 50 H 4.4135 7.9324 113.9599 57.7404 28.6220 176.3478 51 D 4.8611 7.9000 120.2109 53.1922 41.0369 175.6873 52 S 4.4272 7.4925 119.5750 58.1874 63.9006 174.3806 *54 D 4.4159 8.6218 124.9961 53.8180 40.7731 170.7448 55 D 4.9684 8.5178 126.5175 52.2378 43.9933 176.6822 *56 D 4.7641 8.9556 123.4246 53.9037 40.4325 174.3642 57 R 4.1654 8.2844 115.5177 58.0142 30.1037 175.3944 58 L 5.0797 7.4232 120.1445 53.3093 43.6769 175.0907 59 L 4.7418 9.2227 129.4843 53.2508 44.8699 174.8990 60 I 4.8586 8.4519 126.5821 59.7061 40.0111 174.3466 61 L 5.1953 8.8948 127.6476 53.0915 44.5407 176.0771 62 V 4.8225 8.7671 115.1426 59.4976 35.2095 174.4161 63 A 4.9795 8.3226 126.1661 50.6569 20.6992 176.1740 64 L 5.1640 8.7458 121.7621 53.1656 45.9306 175.2726 65 H 4.7756 8.7096 120.7607 55.3731 33.3476 173.3552 66 Q 3.3410 9.8787 124.4212 56.8658 26.3623 175.1196 67 G 3.9584 8.3926 104.5376 45.5082 0.0000 173.8491 68 D 4.6494 8.7305 121.7144 52.6548 42.0579 176.0205 69 V 4.1059 8.3108 123.9356 63.0051 31.5818 175.2245 70 I 4.2073 7.9833 120.4767 59.9475 38.9437 174.8836 71 G 4.0971 7.3277 109.0350 46.6602 0.0000 172.1384 72 S 5.1671 8.4797 111.9285 57.7758 66.3462 173.9202 73 A 5.0791 8.4642 125.5151 51.0735 23.0290 175.3633 74 S 5.1347 8.4941 113.0039 56.6122 67.3370 172.5045 75 L 5.2355 9.0005 123.0374 53.3868 45.4708 174.7010 76 E 5.1195 9.0336 126.3903 54.2639 32.6598 174.3501 77 Q 4.5459 9.1324 129.7116 55.8636 29.9110 175.4113 78 H 4.1383 8.8128 126.6231 55.6731 30.3684 173.8249 79 P 4.4059 0.0000 0.0000 65.1496 31.8114 176.8602 80 R 4.2476 8.1106 119.0935 55.2392 31.0068 176.8200 81 I 3.6418 8.6266 122.8919 64.4386 37.9732 177.4159 82 R 4.3162 7.9397 115.3723 57.3491 30.1841 176.7910 83 R 4.5872 8.0825 116.4163 55.5259 31.6834 177.0415 84 S 4.4941 7.8064 112.6763 60.0949 63.0198 174.4000 85 H 4.7850 8.1263 116.8882 56.3438 29.7466 174.6818 86 S 5.2784 8.2248 114.6544 56.7217 66.3596 173.2111 87 G 4.5768 9.1987 107.4041 44.7374 0.0000 171.2328 88 S 5.3171 8.9841 114.7723 55.9538 66.1241 174.2887 89 I 5.0966 8.1480 118.1554 59.1785 38.7591 176.3583 90 G 3.6514 7.6463 111.6370 47.9041 0.0000 176.1927 91 M 4.6371 8.0583 123.2425 55.0604 32.4629 176.5610 92 G 4.3305 7.5441 104.3263 45.0084 0.0000 172.8460 93 V 4.0642 8.3906 120.1646 62.6016 32.6987 176.7641 94 A 4.6725 9.1496 130.0883 50.3960 20.6951 175.3380 95 V 4.6127 8.3569 121.0260 61.8797 34.0384 174.8977 96 A 4.3915 8.6699 127.0569 52.7689 20.4010 178.2647 97 W 4.6319 7.8299 117.1624 55.4047 27.8235 175.7698 98 Q 4.2815 7.8767 119.3026 56.8826 29.2237 177.2345 99 G 3.9055 8.9581 110.4582 46.7301 0.0000 174.7107 100 K 4.5031 7.8135 119.3925 54.1467 32.3559 182.1622 101 G 4.0867 8.3613 107.6388 46.8289 0.0000 176.4090 102 V 3.6084 7.8562 119.7526 65.9247 31.5525 177.9221 103 G 3.6104 8.0725 104.9994 48.0084 0.0000 175.6668 104 S 4.0768 7.9840 116.9171 61.1712 63.1223 176.4955 105 R 3.9024 8.0266 121.4846 59.4054 29.8431 178.6750 106 L 3.9291 7.9703 118.7620 57.7180 41.6822 179.2891 107 L 3.9232 8.0060 120.6239 57.9554 42.0102 179.2080 108 G 3.7428 8.0929 106.1014 47.7562 0.0000 175.3581 109 E 3.9986 8.0987 121.3062 59.0448 29.7086 178.9063 110 L 4.0427 7.9374 119.1113 57.8494 41.5946 179.5393 111 L 4.1459 8.1576 118.8922 57.4443 41.4261 179.0402 112 D 4.4220 8.0694 118.2731 57.3333 41.1857 178.3372 113 I 3.9679 7.7955 119.5996 64.3968 37.1657 178.1006 114 A 4.0562 8.1166 121.5050 55.6494 18.0825 179.2561 115 D 4.3099 8.5321 117.6180 57.4590 40.8560 178.4159 116 N 4.4500 8.6251 116.1049 54.0989 38.9358 176.0256 117 W 4.5580 8.1629 118.2782 57.9171 31.4958 176.4845 118 M 4.2484 8.7000 116.4635 55.0825 32.2148 175.4739 119 N 4.5664 8.0216 114.8573 53.5839 37.2636 174.0134 120 L 4.3416 8.3920 116.6737 54.7247 42.8078 177.6294 121 R 4.3156 9.0359 122.6704 57.8623 31.7349 176.0739 122 R 5.0279 7.8295 118.5219 54.3958 33.9996 173.8057 123 V 4.9201 8.6614 125.6377 61.2965 34.2332 174.0536 124 E 5.4794 9.4607 127.7837 55.0836 32.5400 174.8459 125 L 4.8742 8.4537 121.1867 55.1638 44.5789 173.8871 126 T 5.1203 8.7232 109.7908 59.9946 71.9854 173.2350 127 V 4.5833 8.4897 122.0999 60.1265 35.4712 173.6118 128 Y 4.6132 8.4213 121.4599 58.3642 38.1989 177.4443 129 T 3.4886 8.5341 115.0428 64.1156 68.6709 174.4875 130 D 4.7465 7.9924 118.8373 53.3666 40.5125 177.3189 131 N 4.6914 8.2422 121.0470 52.2554 35.7442 174.5661 132 A 4.0616 7.9156 126.8472 54.6740 18.9032 177.4741 133 P 4.1727 0.0000 0.0000 65.5746 31.4211 178.7496 134 A 3.6119 7.8138 118.3747 54.9540 18.3295 179.5358 135 L 4.0536 8.0809 117.3366 58.0919 41.7294 179.6868 136 A 4.0314 8.0855 120.5531 54.8920 18.0405 179.5208 137 L 3.9186 7.4456 118.6407 58.6226 42.2203 178.7905 138 Y 4.5344 7.5384 116.7125 61.4250 37.8300 178.9845 139 R 4.4781 8.3473 120.2846 58.6025 29.9019 179.0026 140 K 4.0184 7.9843 118.4294 58.8171 32.1601 177.8120 141 F 4.5747 7.8738 115.8853 57.0950 39.2061 176.6385 142 G 3.9897 8.0604 107.3785 44.8231 0.0000 174.3367 143 F 4.5784 8.5074 119.3091 57.4173 40.3749 174.4736 144 E 4.8183 9.1648 120.9867 54.6996 33.7858 175.1278 145 T 4.5808 8.4663 119.0403 63.7596 68.6317 174.3244 146 E 4.5472 9.2034 125.6497 57.2104 31.9349 176.0231 147 G 4.1918 7.6518 104.2240 45.3831 0.0000 171.7348 148 E 5.1754 8.8029 120.7953 54.4840 32.4600 174.6238 149 M 4.6606 8.7934 127.1350 53.5128 34.1866 175.6498 150 R 5.0596 8.6532 123.3695 56.1250 31.1915 176.5585 151 D 4.4988 8.9927 122.0215 55.6881 38.7754 174.4855 152 Y 4.1607 8.3579 120.7200 60.1817 39.5113 175.0047 153 A 4.8093 7.8842 120.1116 50.3894 22.6644 174.4033 154 V 4.4453 8.2472 119.0909 61.9314 32.6688 175.6519 155 R 4.3618 8.8474 126.2981 56.4089 33.2432 174.4998 156 D 4.4869 9.5143 125.6945 55.6246 38.2864 174.1523 157 G 3.8695 8.6291 102.1210 45.8829 0.0000 173.7155 158 R 4.2929 7.3127 114.1806 54.0679 32.4790 173.7912 159 F 5.0309 8.2180 118.1800 57.5112 39.7464 175.4406 160 V 4.6345 9.3555 116.4374 59.6739 35.7513 174.5021 161 D 5.4125 8.5332 121.0888 53.5818 43.1923 176.0656 162 V 4.9030 8.1682 112.5029 60.0729 36.2654 174.2102 163 Y 5.0171 9.5031 121.3982 56.9319 40.2231 174.5678 164 S 4.9004 9.0152 118.8500 57.2369 64.1911 172.8445 165 M 5.4678 9.1410 126.2456 53.8074 36.0690 174.4078 166 A 5.3898 8.9213 120.6773 50.7944 23.6677 175.1968 167 R 4.4697 8.6060 120.0008 54.3911 32.8032 174.2758 168 L 5.1649 8.4867 125.7865 53.0431 44.1926 176.4601 169 R 4.2174 8.4717 121.6977 56.4865 29.8083 175.3428 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 6 P 0.00 4.45 0.00 2.45 2.35 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 7 T 8.67 4.14 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 1.21 0.00 0.00 8 I 8.96 4.86 1.84 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 1.21 2.12 0.77 0.00 0.00 9 R 8.45 4.45 0.00 1.73 1.81 0.00 3.07 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 10 L 8.32 5.19 0.00 1.46 1.50 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.80 4.76 0.00 1.82 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 2.21 2.23 0.00 12 R 8.51 4.39 0.00 1.78 1.84 0.00 3.56 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 13 Y 9.14 4.53 0.00 2.85 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 4.40 0.00 3.85 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 15 E 8.42 3.89 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 16 R 7.80 4.06 0.00 1.90 1.97 0.00 2.97 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.31 0.00 17 H 9.03 4.86 0.00 3.53 3.54 0.00 5.66 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.62 3.87 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.95 0.00 0.00 19 E 8.28 4.04 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 2.41 2.41 0.00 20 G 8.07 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 3.98 0.00 1.59 1.63 0.22 0.84 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 22 T 8.13 3.94 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 1.26 0.00 0.00 23 A 8.01 4.10 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 24 L 7.85 3.80 0.00 1.70 1.68 0.69 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.63 4.36 0.00 3.00 2.95 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 26 N 7.55 4.79 0.00 2.88 2.77 0.00 0.00 6.88 7.93 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 27 D 7.46 4.49 0.00 2.75 2.65 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 0.00 0.00 0.00 0.00 28 P 0.00 4.22 0.00 2.15 2.08 0.00 3.59 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 2.05 2.08 0.00 29 A 8.08 4.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.10 3.72 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 0.83 0.00 0.00 0.91 0.00 0.00 31 A 8.08 4.16 1.48 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 0.00 0.00 0.00 32 R 7.92 3.96 0.00 1.91 2.13 0.00 3.04 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.61 0.00 33 Q 7.92 4.74 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.64 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 34 V 7.88 4.49 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.20 0.00 0.00 35 L 8.55 4.80 0.00 1.60 1.66 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.00 4.22 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.03 0.00 37 M 8.10 4.64 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 38 P 0.00 4.42 0.00 2.05 1.83 0.00 3.89 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 39 Y 7.78 3.71 0.00 3.14 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 40 Q 8.58 4.43 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 41 S 8.21 4.76 0.00 4.07 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 42 V 8.16 3.73 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 1.33 0.00 0.00 0.97 0.00 0.00 43 E 8.29 4.06 0.00 2.04 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 2.42 2.33 0.00 44 Q 8.50 4.12 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 45 R 7.90 4.23 0.00 2.03 2.12 0.00 3.17 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 46 R 8.37 3.93 0.00 2.01 2.13 0.00 3.46 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 47 K 8.32 4.05 0.00 2.19 1.82 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.32 7.81 48 R 7.90 3.93 0.00 1.94 1.89 0.00 3.27 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 49 L 7.87 4.22 0.00 1.72 1.73 0.56 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 50 H 7.93 4.41 0.00 3.19 3.31 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.90 4.86 0.00 2.71 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 52 S 7.49 4.43 0.00 4.02 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 *54 D 8.62 4.42 0.00 2.49 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 55 D 8.52 4.97 0.00 2.67 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 *56 D 8.96 4.76 0.00 2.74 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 57 R 8.28 4.17 0.00 2.02 2.22 0.00 2.69 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.56 0.00 58 L 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0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 1.84 2.23 0.00 67 G 8.39 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 68 D 8.73 4.65 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.31 4.11 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 0.70 0.00 0.00 0.93 0.00 0.00 70 I 7.98 4.21 0.99 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.28 0.39 0.00 0.00 71 G 7.33 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 72 S 8.48 5.17 0.00 3.75 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 73 A 8.46 5.08 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 74 S 8.49 5.13 0.00 3.89 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.50 0.00 0.00 6.99 7.55 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 0.00 117 W 8.16 4.56 0.00 3.38 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 0.00 118 M 8.70 4.25 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.54 0.00 119 N 8.02 4.57 0.00 2.81 2.87 0.00 0.00 7.39 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 0.00 120 L 8.39 4.34 0.00 1.65 1.69 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 121 R 9.04 4.32 0.00 1.93 2.11 0.00 3.23 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 122 R 7.83 5.03 0.00 1.88 1.66 0.00 3.19 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 123 V 8.66 4.92 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 1.12 0.00 0.00 0.94 0.00 0.00 124 E 9.46 5.48 0.00 1.91 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 2.26 2.40 0.00 125 L 8.45 4.87 0.00 1.45 1.34 0.34 -1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 126 T 8.72 5.12 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 0.96 0.00 0.00 127 V 8.49 4.58 2.11 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 0.91 0.00 0.00 1.14 0.00 0.00 128 Y 8.42 4.61 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 3.49 3.71 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 0.44 0.00 0.00 130 D 7.99 4.75 0.00 2.82 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 0.00 131 N 8.24 4.69 0.00 2.96 2.95 0.00 0.00 7.04 7.30 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 0.00 132 A 7.92 4.06 1.36 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 0.00 0.00 133 P 0.00 4.17 0.00 2.15 2.09 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 134 A 7.81 3.61 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 0.00 135 L 8.08 4.05 0.00 1.95 1.81 1.19 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.09 4.03 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 0.00 137 L 7.45 3.92 0.00 1.57 1.39 1.04 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 7.54 4.53 0.00 3.05 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 0.00 139 R 8.35 4.48 0.00 2.01 2.04 0.00 3.31 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 140 K 7.98 4.02 0.00 1.85 2.22 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.98 1.32 7.81 141 F 7.87 4.57 0.00 3.46 3.30 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 0.00 142 G 8.06 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 0.00 0.00 0.00 143 F 8.51 4.58 0.00 3.24 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 0.00 144 E 9.16 4.82 0.00 1.87 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 145 T 8.47 4.58 4.07 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 1.02 0.00 0.00 146 E 9.20 4.55 0.00 1.92 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 2.25 2.25 0.00 147 G 7.65 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 0.00 0.00 0.00 0.00 148 E 8.80 5.18 0.00 2.15 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 2.15 2.15 0.00 149 M 8.79 4.66 0.00 2.07 1.82 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 2.42 2.46 0.00 150 R 8.65 5.06 0.00 1.71 1.88 0.00 3.58 0.00 0.00 3.89 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.46 0.00 151 D 8.99 4.50 0.00 2.66 2.45 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 0.00 152 Y 8.36 4.16 0.00 3.08 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 0.00 153 A 7.88 4.81 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 0.00 154 V 8.25 4.45 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 0.68 0.00 0.00 0.88 0.00 0.00 155 R 8.85 4.36 0.00 1.53 1.42 0.00 3.00 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.55 0.00 156 D 9.51 4.49 0.00 2.76 2.65 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 0.00 0.00 0.00 0.00 157 G 8.63 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 158 R 7.31 4.29 0.00 1.83 1.87 0.00 2.73 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 159 F 8.22 5.03 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 V 9.36 4.63 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 0.62 0.00 0.00 0.93 0.00 0.00 161 D 8.53 5.41 0.00 2.50 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 V 8.17 4.90 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 0.64 0.00 0.00 0.08 0.00 0.00 163 Y 9.50 5.02 0.00 2.75 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 0.00 164 S 9.02 4.90 0.00 3.81 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 0.00 165 M 9.14 5.47 0.00 2.14 1.84 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 166 A 8.92 5.39 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 R 8.61 4.47 0.00 0.67 0.88 0.00 2.48 0.00 0.00 2.66 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.23 0.00 168 L 8.49 5.16 0.00 1.51 1.52 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 169 R 8.47 4.22 0.00 1.75 1.85 0.00 3.39 0.00 0.00 3.41 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 * Residues marked with a * may have inaccurate shift predictions.