NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2596 8.3031 120.1505 54.9608 34.2041 176.0387 7 G 3.7602 8.4331 105.1921 45.7565 0.0000 171.6869 8 I 4.2218 8.8075 122.3067 60.6991 38.6575 174.4879 9 R 4.5709 9.4899 123.9128 57.1540 32.8630 176.2813 10 K 4.7379 7.7317 118.6926 54.9680 35.9544 174.9603 11 V 4.5831 8.5060 126.5093 60.8843 35.0188 173.4606 12 E 4.7234 8.9718 127.9963 54.1437 31.7406 174.5243 13 L 4.7555 8.3660 128.2851 53.2129 44.4927 174.5314 14 A 5.0196 8.7840 128.0982 50.0396 22.2829 174.9190 15 V 5.4393 9.3343 120.6932 61.2007 35.4189 174.4974 16 K 5.4371 9.7645 125.6508 55.4679 36.3185 174.7484 17 W 5.5200 8.7537 117.3671 57.1152 31.3467 172.9651 18 D 5.0342 9.0588 120.9224 51.6798 42.3033 175.3724 19 P 4.7621 0.0000 0.0000 61.8922 32.1353 176.4455 20 S 4.3340 8.4084 115.3024 57.8011 63.6258 172.8273 21 P 4.3736 0.0000 0.0000 61.9578 31.7076 174.4484 22 P 4.4447 0.0000 0.0000 64.5307 31.5971 177.0617 23 G 3.9838 8.9709 110.7072 45.4411 0.0000 173.2743 24 D 4.7408 7.5643 118.7542 52.2559 42.0882 174.5901 25 P 4.2796 0.0000 0.0000 62.4666 31.8770 176.6774 26 A 4.1289 8.3864 124.8295 52.5861 19.0599 177.0252 27 T 4.2314 8.0814 118.0808 62.4313 69.4486 173.6900 28 D 4.9305 8.2259 125.4534 52.5852 44.0934 173.8264 29 L 4.4937 7.0492 125.7383 53.1514 43.5956 175.9028 30 D 5.7741 8.6716 121.7959 51.5553 44.6200 175.1307 31 I 4.7471 8.9026 123.8216 60.9843 38.3348 175.6975 32 V 4.9556 9.1606 125.0902 60.0126 35.0606 174.1884 33 A 5.3850 9.1994 124.0820 50.1844 22.6232 174.7854 34 A 4.9375 9.0151 121.5466 50.2302 22.7137 175.4123 35 T 4.7054 7.6046 111.4871 59.9870 71.7507 173.6256 36 F 5.1063 8.9463 120.8211 55.7046 43.6223 174.2442 37 L 4.8409 8.6637 121.3745 53.9984 43.0109 176.3886 38 A 4.2057 8.7398 125.2031 52.1592 19.1253 177.5879 39 G 3.8726 8.4221 106.4639 45.2585 0.0000 173.9410 40 D 4.6707 7.6530 114.6644 53.8558 43.6682 177.2939 41 A 4.0434 8.1501 122.6939 54.5047 19.1392 178.1981 42 Y 4.5282 7.4165 111.1341 56.5960 39.7350 176.2545 43 G 4.2826 7.2465 108.8364 44.5163 0.0000 176.2028 44 K 4.1881 9.3071 128.0689 55.0286 32.4017 174.9062 45 P 3.5609 0.0000 0.0000 62.6952 31.8607 176.1696 46 A 4.3298 8.4428 125.6696 55.1203 18.9343 177.0155 47 Y 4.7607 6.8738 110.0212 56.3890 41.6841 174.0911 48 V 4.9767 8.4432 112.5912 59.5477 35.5019 175.2640 49 V 4.7171 8.6938 123.2873 61.6808 34.5125 174.3570 50 H 5.1969 8.5050 122.0887 55.0216 31.5799 174.2328 51 F 4.2340 9.5231 112.7933 59.4383 37.5873 175.3507 52 D 4.4580 7.2779 118.6636 53.2562 41.2530 176.0064 53 S 4.2176 7.9013 114.0331 56.5858 63.2208 173.5433 54 R 4.2652 8.0932 126.2115 55.3468 30.6416 177.0888 55 S 3.8972 8.3308 115.7296 57.7029 62.8714 172.8159 56 P 4.2337 0.0000 0.0000 64.4353 31.3964 176.4848 57 D 4.6441 7.6219 116.5708 52.1577 40.0352 176.8663 58 G 3.8710 8.0605 107.3661 46.5380 0.0000 174.3652 59 T 4.4375 7.9707 110.4284 62.4386 70.4648 174.5408 60 I 5.0782 7.7397 122.6018 59.5002 40.1937 174.4042 61 Y 4.9139 8.3142 124.2846 55.5817 41.1674 174.2504 62 L 4.2910 8.6138 124.1868 54.8082 43.0070 176.3349 63 N 4.7406 9.3191 124.6685 55.8459 39.3016 175.4168 64 R 4.8275 7.4060 111.6600 55.3174 32.5220 173.5125 65 D 5.4926 8.6357 119.1895 52.0354 43.1291 174.3453 66 S 4.6422 8.7992 111.8238 57.0619 65.1865 173.6506 67 K 4.8334 9.0665 123.9131 55.7468 32.0859 176.7107 68 D 5.0423 7.2678 114.9533 52.3375 42.1947 176.8856 69 G 2.7292 8.3318 108.3688 44.9750 0.0000 173.9413 70 K 3.8927 8.0683 120.6266 56.0785 32.2608 175.2121 71 G 3.6585 8.4931 109.3371 43.3908 0.0000 173.0997 72 F 4.1797 8.4591 126.9301 58.6851 40.6148 176.9361 73 G 3.2023 7.0078 112.4562 44.2789 0.0000 172.3167 74 W 4.3382 8.1632 120.1077 56.8296 29.7231 175.7830 75 D 4.5394 8.7844 123.6477 56.1341 41.4881 176.9080 76 E 4.9791 8.1901 118.2820 54.8237 33.6241 174.4532 77 V 5.2126 8.4460 125.0016 60.5375 36.3070 173.5317 *79 T 4.2109 8.2290 116.6701 63.1697 70.0744 173.4549 80 L 4.4353 8.5594 125.6880 52.7162 44.4316 176.3062 81 E 4.4874 8.8577 127.9745 54.6401 28.2096 177.6478 82 L 3.5001 7.4048 122.5399 57.3495 42.3354 179.2895 83 N 4.4948 8.1930 116.6587 56.7719 38.8246 175.8545 84 R 4.2621 7.8926 114.9095 57.2270 30.6009 176.9232 85 L 4.2427 7.6587 119.2322 54.3498 42.3035 176.6924 86 D 4.6425 9.0489 122.5767 54.1905 41.7800 177.2924 87 S 4.1908 8.6878 118.6959 60.9901 63.2412 175.7483 88 R 3.8007 8.2397 117.4983 58.7100 29.0248 175.2992 89 Y 5.1761 7.7913 116.5396 56.9654 38.4562 175.5309 90 A 4.6248 9.2368 125.0901 51.8624 21.6378 175.6250 91 R 5.4722 8.0693 114.9446 55.0810 34.0151 173.7387 92 V 5.0458 9.4477 124.9879 61.1998 35.1368 174.0755 93 V 5.0003 9.1153 127.2176 61.2839 34.2959 174.5622 94 V 5.0020 8.7407 120.3631 60.0673 34.9614 174.8495 95 G 4.7293 9.1544 109.7731 45.5878 0.0000 171.6738 96 V 5.0074 9.1177 119.3495 61.1878 34.6811 174.5767 97 V 4.3446 8.6983 121.0182 59.5763 34.6398 174.6400 98 I 4.3453 7.6727 124.7680 59.4303 38.2162 175.9506 99 Q 4.0906 8.6975 127.3306 56.3819 28.8270 176.6241 100 Q 4.6860 8.5703 119.1420 54.8371 31.0602 177.6050 101 R 3.8853 8.1765 117.8980 59.4116 30.0621 177.0745 102 D 4.4804 7.9318 115.0700 55.7384 41.3124 176.3170 103 A 4.2818 7.3213 118.9502 51.3320 22.4915 175.0701 104 H 4.5465 8.9357 122.3406 56.2385 30.3657 174.8765 105 R 4.3017 8.7725 127.0390 55.0407 33.0356 174.1731 106 T 4.4137 7.9047 114.6511 59.2932 71.6259 175.0054 107 F 3.9638 8.4027 119.7989 60.4325 38.9043 178.6000 108 V 3.7381 7.9962 119.6613 64.0946 31.2665 177.1342 109 G 3.7897 7.9648 107.7787 45.4974 0.0000 173.2560 110 V 4.0910 7.2682 120.4410 60.7673 32.9019 174.9353 111 L 4.1595 8.5488 129.0714 55.5202 42.6615 176.1986 112 N 4.2791 8.9202 125.3840 53.8422 35.8850 172.1098 113 P 5.0243 0.0000 0.0000 63.3334 33.5311 177.0569 114 G 4.6514 9.4343 107.5635 45.3931 0.0000 171.7686 115 L 5.7106 9.1439 120.9883 54.3068 44.7198 175.5203 116 R 5.2414 8.5540 119.3297 54.2675 34.1114 173.5313 *118 R 4.3754 8.3951 113.9905 56.1569 31.1582 174.2037 119 E 5.0396 8.2889 120.5706 54.2575 31.9755 176.6827 120 G 3.6425 8.1027 116.9599 47.3379 0.0000 173.5498 121 Y 4.7294 8.5408 121.4015 57.7287 38.3208 175.0695 122 T 4.2512 8.1566 119.5684 62.2561 68.7302 174.3368 123 V 3.9575 8.3310 127.4481 62.7294 32.1056 175.4799 124 L 4.3624 8.3907 126.6420 56.5793 42.6524 176.5708 125 A 4.7655 7.2569 117.1162 51.0504 22.3949 175.2589 126 E 4.9512 8.5816 118.7801 55.1387 33.8747 174.2626 127 D 4.6484 8.8274 120.9168 53.1867 45.1959 175.0941 128 D 5.2527 8.3406 120.4583 51.9348 40.0090 176.3952 129 F 3.6011 8.5136 117.1625 58.6040 36.8450 177.1911 130 G 3.7536 8.4608 110.6998 47.5532 0.0000 175.2549 131 G 3.9518 7.9069 107.0887 46.1009 0.0000 174.0493 132 V 4.6437 7.6218 114.2450 60.9043 32.9134 177.6655 133 L 4.1913 8.3413 121.6399 57.3651 42.5594 179.2970 134 G 4.1033 8.2691 103.6016 46.4301 0.0000 174.0648 135 S 5.0509 8.4738 117.6161 57.7789 64.9581 174.8993 136 T 4.2076 8.5855 110.9261 62.2084 70.1469 173.8325 137 A 4.8815 7.7338 122.3462 51.3895 22.7935 174.7781 138 A 5.4846 8.7259 120.4919 50.8873 23.1900 176.1507 139 T 4.8183 9.2960 112.4030 61.7309 70.4096 175.3945 140 V 4.6279 9.8368 115.8241 59.9401 33.6342 175.6790 141 G 4.5098 7.3312 112.5673 46.3205 0.0000 171.3262 142 E 5.3603 7.7914 120.5585 54.2431 33.7228 174.1747 143 F 5.6157 9.5670 123.9691 55.8302 43.1011 174.0570 144 V 5.0674 9.4571 122.8996 61.1745 34.7893 173.8329 145 R 4.9291 8.7694 128.3906 53.7690 31.5117 175.6916 146 D 4.7175 8.1613 125.8165 51.8384 41.6018 176.6152 147 D 4.3460 8.4223 118.1232 57.0355 40.7647 178.0857 148 S 4.1369 7.9017 112.7899 59.3982 63.2295 175.3524 149 G 3.8200 8.2296 109.5566 44.9802 0.0000 172.8096 150 E 4.5768 7.8196 120.0136 54.7468 31.6745 175.3679 151 W 4.9900 8.8089 123.6615 56.5777 30.9233 175.1624 152 T 5.0703 9.4067 121.7153 61.8414 70.6752 173.1837 153 F 4.9120 8.9618 128.2916 57.6255 40.4243 174.5735 154 H 4.4731 8.5625 124.2286 52.9021 30.1625 172.0443 155 P 3.7453 0.0000 0.0000 61.6193 32.1215 175.6377 156 G 4.3073 7.6383 116.9725 45.2547 0.0000 171.6582 157 I 4.7091 7.7319 125.2686 59.7473 39.4892 174.7480 158 H 4.8938 9.3825 123.9413 53.9301 32.1455 173.2037 159 G 4.6969 8.8311 110.5497 45.4522 0.0000 172.3043 160 Y 4.9454 9.4056 119.6708 55.9983 42.3266 175.8018 161 D 4.7108 8.9447 120.2683 54.1818 41.3765 176.6620 162 S 4.7446 7.9007 114.2904 56.8397 65.0284 173.8007 163 D 4.6923 8.2296 121.5173 51.9894 41.7522 175.4914 164 P 4.2500 0.0000 0.0000 65.7782 31.0335 178.8527 165 A 4.0559 7.9217 117.8614 55.4190 18.6881 179.4286 166 T 4.0182 8.3620 114.2902 66.6754 68.7101 176.5775 167 F 4.0657 8.5617 122.6446 61.5357 39.1339 177.0808 168 A 3.9564 7.9968 118.7192 54.9220 18.1566 179.2133 169 R 4.2543 7.8266 115.5434 56.9981 31.9239 177.5634 170 V 4.1662 7.2342 113.2014 59.4076 30.8692 176.4176 *172 G 3.4823 7.9255 109.5203 44.0969 0.0000 170.8369 173 G 3.8352 7.8490 109.4373 45.3902 0.0000 173.8066 174 R 4.0725 8.4489 123.0388 56.2323 30.8452 176.4178 175 Q 4.1581 8.3709 121.2956 56.0613 29.1817 175.5489 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 K 8.30 4.26 0.00 2.23 2.09 0.00 1.87 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.71 7.81 7 G 8.43 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 8 I 8.81 4.22 2.07 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 1.69 1.84 0.79 0.00 0.00 9 R 9.49 4.57 0.00 1.72 1.92 0.00 3.33 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 10 K 7.73 4.74 0.00 1.68 1.46 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.70 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.29 7.81 11 V 8.51 4.58 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 0.60 0.00 0.00 0.35 0.00 0.00 12 E 8.97 4.72 0.00 1.77 1.62 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 2.01 2.07 0.00 13 L 8.37 4.76 0.00 1.73 1.43 0.96 0.94 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 14 A 8.78 5.02 0.26 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 0.00 0.00 0.00 15 V 9.33 5.44 2.42 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 1.40 0.00 0.00 1.15 0.00 0.00 16 K 9.76 5.44 0.00 1.63 1.57 0.00 0.61 0.00 0.00 1.28 0.00 0.00 2.47 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.35 1.23 7.81 17 W 8.75 5.52 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 18 D 9.06 5.03 0.00 2.70 2.62 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 19 P 0.00 4.76 0.00 2.19 2.17 0.00 3.35 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 20 S 8.41 4.33 0.00 3.90 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.37 0.00 2.18 1.98 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 22 P 0.00 4.44 0.00 2.03 2.01 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 23 G 8.97 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 24 D 7.56 4.74 0.00 2.85 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 25 P 0.00 4.28 0.00 2.01 1.97 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 26 A 8.39 4.13 1.26 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 0.00 0.00 0.00 27 T 8.08 4.23 4.45 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 0.91 0.00 0.00 28 D 8.23 4.93 0.00 2.87 2.37 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 29 L 7.05 4.49 0.00 0.27 1.01 -0.18 0.58 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 30 D 8.67 5.77 0.00 2.54 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 31 I 8.90 4.75 1.97 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 1.53 0.62 0.98 0.00 0.00 32 V 9.16 4.96 2.25 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 1.23 0.00 0.00 1.13 0.00 0.00 33 A 9.20 5.38 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.02 4.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.60 4.71 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 36 F 8.95 5.11 0.00 2.91 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 37 L 8.66 4.84 0.00 1.65 1.56 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.74 4.21 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 39 G 8.42 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 40 D 7.65 4.67 0.00 2.78 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 41 A 8.15 4.04 0.98 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 42 Y 7.42 4.53 0.00 2.90 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.25 4.28 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 0.00 44 K 9.31 4.19 0.00 1.81 1.79 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.44 7.81 45 P 0.00 3.56 0.00 1.90 1.50 0.00 3.75 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 46 A 8.44 4.33 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 47 Y 6.87 4.76 0.00 3.05 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 48 V 8.44 4.98 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 0.63 0.00 0.00 0.95 0.00 0.00 49 V 8.69 4.72 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 1.23 0.00 0.00 1.06 0.00 0.00 50 H 8.50 5.20 0.00 3.42 3.49 0.00 5.52 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 9.52 4.23 0.00 3.28 3.33 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 52 D 7.28 4.46 0.00 1.58 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.90 4.22 0.00 3.53 3.15 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 54 R 8.09 4.27 0.00 1.77 1.78 0.00 3.24 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 55 S 8.33 3.90 0.00 3.88 3.73 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.41 4.83 0.00 1.88 2.02 0.00 3.14 0.00 0.00 3.43 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 65 D 8.64 5.49 0.00 2.86 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 66 S 8.80 4.64 0.00 3.81 3.58 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 67 K 9.07 4.83 0.00 1.76 1.77 0.00 1.77 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.17 1.27 7.81 68 D 7.27 5.04 0.00 2.88 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.33 2.73 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 0.00 70 K 8.07 3.89 0.00 1.81 1.72 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.34 7.81 71 G 8.49 3.66 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 72 F 8.46 4.18 0.00 2.87 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 73 G 7.01 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.16 4.34 0.00 3.32 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.78 4.54 0.00 2.11 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 0.00 0.00 0.00 76 E 8.19 4.98 0.00 2.27 2.03 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 2.42 2.70 0.00 77 V 8.45 5.21 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 1.06 0.00 0.00 0.99 0.00 0.00 *79 T 8.23 4.21 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 0.84 0.00 0.00 80 L 8.56 4.44 0.00 1.09 1.16 0.76 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.86 4.49 0.00 2.15 1.89 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 2.27 2.24 0.00 82 L 7.40 3.50 0.00 1.07 0.13 -0.33 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.19 4.49 0.00 2.77 2.89 0.00 0.00 7.28 8.51 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 84 R 7.89 4.26 0.00 2.03 2.01 0.00 3.24 0.00 0.00 3.42 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 85 L 7.66 4.24 0.00 2.17 2.00 0.78 0.96 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 86 D 9.05 4.64 0.00 2.91 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 87 S 8.69 4.19 0.00 3.98 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 88 R 8.24 3.80 0.00 1.72 2.10 0.00 2.35 0.00 0.00 3.00 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.50 0.00 89 Y 7.79 5.18 0.00 3.24 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 90 A 9.24 4.62 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 91 R 8.07 5.47 0.00 1.83 1.76 0.00 2.60 0.00 0.00 2.64 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.80 0.00 92 V 9.45 5.05 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 0.97 0.00 0.00 0.76 0.00 0.00 93 V 9.12 5.00 2.30 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 1.08 0.00 0.00 0.89 0.00 0.00 94 V 8.74 5.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.17 0.00 0.00 95 G 9.15 4.73 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 0.00 96 V 9.12 5.01 2.36 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 1.07 0.00 0.00 1.18 0.00 0.00 97 V 8.70 4.34 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 0.33 0.00 0.00 0.94 0.00 0.00 98 I 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7.62 4.64 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 0.91 0.00 0.00 0.87 0.00 0.00 133 L 8.34 4.19 0.00 1.66 1.79 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.27 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 0.00 135 S 8.47 5.05 0.00 4.27 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 0.00 136 T 8.59 4.21 4.09 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 0.00 0.00 0.00 1.19 0.00 0.00 137 A 7.73 4.88 0.48 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 0.00 138 A 8.73 5.48 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 T 9.30 4.82 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 1.29 0.00 0.00 140 V 9.84 4.63 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 0.83 0.00 0.00 1.03 0.00 0.00 141 G 7.33 4.51 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 0.00 142 E 7.79 5.36 0.00 2.00 1.77 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 2.23 2.27 0.00 143 F 9.57 5.62 0.00 2.96 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 9.46 5.07 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.99 0.00 0.00 145 R 8.77 4.93 0.00 0.67 0.66 0.00 2.68 0.00 0.00 2.83 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.71 0.00 146 D 8.16 4.72 0.00 2.90 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 0.00 147 D 8.42 4.35 0.00 2.64 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 0.00 148 S 7.90 4.14 0.00 3.99 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 0.00 149 G 8.23 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 0.00 150 E 7.82 4.58 0.00 1.89 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 0.00 2.30 2.27 0.00 151 W 8.81 4.99 0.00 3.58 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 0.00 152 T 9.41 5.07 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 1.07 0.00 0.00 153 F 8.96 4.91 0.00 3.07 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 H 8.56 4.47 0.00 3.02 3.05 0.00 5.87 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 0.00 155 P 0.00 3.75 0.00 1.89 1.74 0.00 3.46 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 156 G 7.64 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 0.00 0.00 0.00 0.00 157 I 7.73 4.71 1.77 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.79 0.82 0.00 0.00 158 H 9.38 4.89 0.00 3.31 3.24 0.00 5.80 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 0.00 159 G 8.83 4.70 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 0.00 0.00 0.00 160 Y 9.41 4.95 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 0.00 161 D 8.94 4.71 0.00 2.71 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 0.00 162 S 7.90 4.74 0.00 4.12 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 0.00 163 D 8.23 4.69 0.00 2.98 2.87 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 0.00 164 P 0.00 4.25 0.00 2.20 2.16 0.00 3.60 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.09 0.00 165 A 7.92 4.06 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 T 8.36 4.02 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 167 F 8.56 4.07 0.00 3.13 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 0.00 168 A 8.00 3.96 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 0.00 169 R 7.83 4.25 0.00 1.94 2.02 0.00 3.30 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.83 0.00 170 V 7.23 4.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.11 0.00 0.00 *172 G 7.93 3.48 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 0.00 173 G 7.85 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 R 8.45 4.07 0.00 1.52 1.64 0.00 2.82 0.00 0.00 2.77 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.50 0.00 175 Q 8.37 4.16 0.00 1.91 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.42 0.00 0.00 0.00 0.00 0.00 2.15 1.81 0.00 * Residues marked with a * may have inaccurate shift predictions.