NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 L 4.3708 8.1849 122.5056 54.6906 42.9347 176.6242 9 Q 4.0481 8.7036 125.4868 55.1621 29.5926 174.0068 10 S 4.7649 8.4549 110.1527 57.8500 64.8122 172.0887 11 Q 4.9081 7.4443 120.0571 54.8617 31.4993 174.2236 12 F 4.8821 8.8511 124.2090 55.8494 43.1412 174.7003 13 F 4.7011 9.3418 121.4690 55.8116 41.3555 176.4869 14 I 3.5989 8.6947 119.0881 65.0232 37.2234 177.3080 15 E 4.0845 8.1409 117.6564 59.6474 29.5078 178.5501 16 H 4.9421 8.5771 116.7568 58.8921 28.7517 177.8983 17 I 4.0621 7.9581 121.3121 64.5543 36.8643 178.3323 18 L 4.0143 7.9169 118.2735 57.3065 41.3174 178.7609 19 Q 4.2021 7.9311 117.0783 56.5029 28.6991 176.9045 20 I 3.4392 7.1712 118.5085 62.4590 38.8779 176.1226 21 L 4.1895 7.6922 119.5408 53.6600 42.0839 175.7113 22 P 4.3267 0.0000 0.0000 64.9361 32.0058 176.6617 23 H 4.1161 8.0327 115.7295 56.3260 29.1326 174.2385 24 R 4.7426 8.0827 120.2376 54.1828 34.3521 173.6799 25 Y 4.3653 8.5651 119.9311 57.6609 39.1467 173.9101 26 P 3.8538 0.0000 0.0000 63.2020 31.8845 175.7241 27 M 4.5222 8.5180 115.3851 55.8708 33.2575 175.8616 28 L 4.5513 7.8775 121.6427 53.9516 41.7061 176.4942 29 L 4.8151 8.7090 130.9255 53.7639 42.2017 177.8858 30 V 4.4602 7.6099 117.6279 61.8159 34.1459 173.5096 31 D 4.6406 8.5930 127.6190 56.2047 41.9430 176.9053 32 R 4.4808 7.0506 116.0425 54.8981 34.0633 173.7481 33 I 4.5739 8.4525 125.3227 59.8723 38.9456 176.4897 34 T 4.2182 8.6283 118.7556 63.7774 69.8884 174.9117 35 E 5.3243 7.7969 117.4754 55.3728 33.2838 174.2064 36 L 4.8181 8.4209 121.4180 54.4906 45.9883 174.0079 37 Q 4.7357 9.2483 125.9381 53.6348 31.5655 175.2148 38 A 4.1062 8.7840 127.2530 54.0436 18.7455 177.2915 39 N 4.7313 9.3656 118.8591 54.1414 37.2307 174.1785 40 Q 4.5673 7.9582 114.8417 56.6828 31.7517 174.8391 41 K 5.1720 8.5791 118.5540 55.2677 36.7281 174.0948 42 I 4.9265 8.4130 122.5620 59.9229 42.1498 173.3282 43 V 4.9602 8.8653 128.0945 61.2536 34.6696 174.2238 44 A 5.1219 9.0128 128.3133 51.5491 23.5307 173.5958 45 Y 4.8906 8.3927 114.9260 56.2143 42.0569 173.7756 46 K 5.0161 8.6529 121.0769 54.7005 35.4928 175.1326 47 N 4.8575 9.4618 125.4461 53.2661 39.6941 174.5423 48 I 4.5493 8.6362 123.7723 59.9846 38.5799 174.7175 49 T 4.9818 9.4070 121.6875 59.9324 70.5291 174.6582 50 F 4.0407 9.0312 127.6689 61.0449 39.8232 175.9538 51 N 4.7892 7.5731 117.1679 53.6300 38.0986 174.3240 52 E 4.8355 7.8889 115.7562 53.7131 33.4645 177.0374 53 D 4.3121 8.7401 121.3583 57.5243 41.3237 178.9687 54 V 3.4587 7.6017 112.4697 64.2716 31.2053 178.0615 55 F 4.5466 7.3536 116.2122 59.8197 38.7473 176.9690 56 N 4.6971 8.2028 115.8334 55.0832 38.3211 175.7088 57 G 4.1546 7.6921 105.5971 45.1830 0.0000 173.1214 58 H 3.7773 7.6752 119.2055 53.9415 30.2110 171.5605 59 F 5.2010 8.9403 121.4930 53.9079 43.0441 173.0849 60 P 4.4582 0.0000 0.0000 64.6514 31.3093 176.5708 61 N 4.4128 9.6274 118.4217 53.7765 36.7217 175.3351 62 K 4.6362 8.3567 119.9929 54.1962 33.2695 171.7601 63 P 4.8120 0.0000 0.0000 63.2776 32.1113 177.2311 64 I 4.8879 8.9437 125.9333 58.9428 40.0686 175.5249 65 F 4.0553 9.6101 131.1417 57.6768 39.8234 173.3844 66 P 3.7982 0.0000 0.0000 62.7415 31.8172 177.5672 67 G 3.2259 8.3924 109.2270 47.8676 0.0000 176.3354 68 V 3.8278 7.4984 113.9772 63.9254 31.7212 178.1161 69 L 4.1489 7.4406 117.9818 56.7485 41.3940 179.3820 70 I 4.1898 7.6271 120.3479 64.3210 37.0774 178.2561 71 V 3.6796 8.0072 118.6750 66.0983 31.4051 177.3597 72 E 4.2069 8.4084 119.1528 59.5229 29.4725 179.1497 73 G 3.6113 7.9723 106.6878 47.1835 0.0000 175.7205 74 M 3.6583 7.7286 120.8130 58.0260 31.9324 178.6519 75 A 3.9154 8.2295 121.2095 55.0930 18.4835 179.7130 76 Q 3.7873 7.8926 116.6924 58.8601 28.7240 178.9191 77 S 4.1566 7.5884 116.1908 61.3976 62.7381 176.9365 78 G 3.6236 8.0828 108.6965 47.6533 0.0000 175.9934 79 G 3.3757 8.0931 108.3729 47.4769 0.0000 175.5955 80 F 3.8920 8.2570 122.9229 60.7407 39.5059 177.0671 81 L 3.9046 7.8915 119.8523 57.9629 41.8944 178.6602 82 A 2.0000 7.9327 121.1553 54.3669 18.1032 179.1912 83 F 3.6934 7.8815 119.0992 61.7045 39.4926 177.5593 84 T 4.2591 7.5946 110.2425 64.1039 68.3099 176.6613 85 S 4.1881 7.4640 117.2597 61.3767 62.8806 175.8694 86 L 3.8000 7.2616 121.5406 55.8267 41.4610 178.2207 87 W 4.5977 7.6468 117.4369 57.1295 30.3829 177.8714 88 G 4.3739 7.9762 108.6501 45.7218 0.0000 172.7211 89 F 4.5883 8.6835 117.6899 56.9445 37.7923 174.6660 90 D 4.7987 7.8202 122.3230 50.8395 41.3661 174.2276 91 P 4.2338 0.0000 0.0000 64.5724 31.1916 177.8763 92 E 3.9546 8.0337 116.0911 59.2041 29.8684 178.8518 93 I 3.7011 7.7488 119.8001 64.0038 37.2592 178.2675 94 A 3.7500 7.9738 121.9858 54.3868 17.8440 179.1481 95 K 4.1406 7.7044 115.5186 58.6101 32.6868 177.3841 96 T 4.5758 7.3205 108.6617 61.2909 70.1253 173.4097 97 K 5.2029 7.9059 120.2927 55.0679 35.4215 174.9506 98 I 4.6219 8.6213 115.2965 59.2140 41.7767 173.9163 99 V 4.8803 7.8205 120.5095 61.6782 33.8957 174.0095 100 Y 4.7819 9.1639 126.0065 56.4051 40.4671 174.6207 101 F 4.6303 8.9733 124.8777 58.4296 40.0833 174.4239 102 M 4.7653 9.6328 125.6276 56.9463 33.7075 176.0206 103 T 4.8719 7.8418 106.2588 60.6499 73.0181 172.4395 104 I 5.1558 8.0768 121.5556 60.2405 41.0316 174.2572 105 D 4.6630 9.4747 125.5432 52.1459 45.9925 175.4458 106 K 3.9141 8.0423 117.0384 57.3394 29.4588 175.2744 107 V 4.9350 7.2195 112.3044 59.3845 33.8680 177.3224 108 K 4.4642 7.9858 124.5440 54.7572 35.7279 174.4109 109 F 5.0616 8.9431 125.8923 56.5552 39.7509 175.4758 110 R 4.5366 9.0393 123.1937 57.2839 31.6544 177.3889 111 I 4.6969 7.6184 117.7722 58.3574 40.8493 173.1679 112 P 4.5330 0.0000 0.0000 63.0985 32.1803 175.5543 113 V 4.6296 8.5642 122.1808 61.8473 33.6183 174.5913 114 T 5.1450 8.8135 117.0497 58.7322 72.6389 171.5990 115 P 4.5299 0.0000 0.0000 64.5671 31.6028 177.0936 116 G 4.0276 9.4976 111.7214 45.0290 0.0000 173.2742 117 D 4.6536 7.9036 119.6058 53.5282 42.9135 175.9135 118 R 4.4798 8.2625 122.3447 54.4164 30.8195 174.7284 119 L 4.1079 8.3524 128.4231 54.5916 42.9655 174.8378 120 E 4.7932 9.3635 129.5495 55.1556 31.1717 174.3328 121 Y 5.0560 9.1352 126.2239 57.4738 40.1966 174.5519 122 H 5.1145 9.5918 120.4646 54.2826 32.2804 172.2053 123 L 5.3738 8.8368 123.6369 52.8052 45.0485 175.7555 124 E 5.1406 9.2763 121.8990 54.3295 33.4193 175.3826 125 V 4.0815 8.8217 124.8443 63.1410 31.3137 175.7535 126 L 4.3445 9.1052 129.5129 56.7134 42.6539 177.5291 127 K 4.3455 7.7633 116.7919 56.2028 35.1039 173.2925 128 H 4.9462 8.3384 120.5088 54.4803 31.6434 173.2720 129 K 4.0245 8.6952 121.9653 56.1900 35.3966 175.8356 130 G 3.8116 8.1056 117.3551 47.4100 0.0000 176.0604 131 M 4.3002 8.6414 124.8657 57.0154 32.3842 175.2858 132 I 4.6002 7.6733 120.3092 60.4351 38.2828 174.8635 133 W 4.9396 9.0865 127.8351 54.7072 32.1658 175.0556 134 Q 4.9367 9.4088 125.7330 54.7370 30.8416 174.5681 135 V 5.0104 8.7957 119.8778 59.8464 35.5486 175.0972 136 G 4.4097 9.0819 108.3816 44.7041 0.0000 173.4728 137 G 4.4429 7.9028 106.0638 45.8329 0.0000 171.0959 138 T 5.3301 7.8102 109.3619 59.9529 73.3058 172.5412 139 A 5.2634 9.2125 123.3458 50.3021 21.7565 175.4137 140 Q 5.0368 9.7067 121.8515 53.9738 33.3595 174.8616 141 V 4.2836 8.2602 121.6703 61.0771 34.3539 175.1556 142 D 4.1687 9.4741 129.3105 55.4083 39.1820 174.4904 143 G 3.9499 8.0196 104.2886 45.8733 0.0000 173.3890 144 K 4.4480 7.5578 119.3906 54.6438 33.8472 175.7312 145 V 4.4065 8.1701 121.7727 62.5635 31.9974 176.0478 146 V 4.4148 8.5506 120.0092 61.9085 33.6002 175.4829 147 A 4.9976 7.5986 120.1432 50.9344 22.5574 174.9422 148 E 5.1661 8.4776 119.3316 54.8417 33.5812 174.9526 149 A 4.7892 8.7557 122.6970 51.2919 23.5911 174.8323 150 E 5.1688 8.6551 120.0608 54.5251 33.3190 174.3687 151 L 5.2458 9.2061 125.8619 54.4808 44.9172 174.3432 152 K 5.2321 9.1664 120.8237 54.7869 35.2048 174.8027 153 A 5.1953 9.0217 128.1851 50.2822 23.0438 174.0030 154 M 5.2325 9.3853 119.4942 53.8709 35.3787 174.5068 155 I 4.9595 8.3412 126.0434 60.2553 38.7577 175.1650 156 A 4.8752 8.9580 127.4499 49.8393 22.9861 174.8407 157 E 4.2203 8.9396 122.5952 55.9592 30.3624 176.5738 158 R 3.8747 9.1940 131.5607 57.2155 30.7918 176.9027 *159 E 4.1703 8.7585 121.0855 56.2342 30.4779 172.4593 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 8 L 8.18 4.37 0.00 1.72 1.77 1.20 0.56 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 9 Q 8.70 4.05 0.00 1.60 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 2.20 2.04 0.00 10 S 8.45 4.76 0.00 3.83 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 11 Q 7.44 4.91 0.00 1.91 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.46 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 12 F 8.85 4.88 0.00 2.79 2.94 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 0.00 0.00 0.00 0.00 13 F 9.34 4.70 0.00 2.99 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 I 8.69 3.60 1.91 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 1.67 1.25 0.96 0.00 0.00 15 E 8.14 4.08 0.00 1.92 2.02 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 2.33 2.48 0.00 16 H 8.58 4.94 0.00 3.71 3.96 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.96 4.06 2.08 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.81 0.99 0.00 0.00 18 L 7.92 4.01 0.00 1.83 1.75 0.95 1.01 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 19 Q 7.93 4.20 0.00 2.29 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 20 I 7.17 3.44 1.64 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.29 -0.01 0.00 0.00 21 L 7.69 4.19 0.00 1.73 1.64 0.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.33 0.00 2.01 2.24 0.00 3.74 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 23 H 8.03 4.12 0.00 3.10 3.44 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.08 4.74 0.00 1.78 1.83 0.00 3.32 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.53 0.00 25 Y 8.57 4.37 0.00 2.95 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 26 P 0.00 3.85 0.00 1.61 0.68 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 27 M 8.52 4.52 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 28 L 7.88 4.55 0.00 1.73 1.65 0.98 1.00 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 29 L 8.71 4.82 0.00 1.69 1.81 1.01 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.61 4.46 2.02 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 0.72 0.00 0.00 0.83 0.00 0.00 31 D 8.59 4.64 0.00 2.46 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.05 4.48 0.00 1.39 0.66 0.00 3.15 0.00 0.00 2.99 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.22 0.00 33 I 8.45 4.57 1.79 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 0.86 0.28 0.88 0.00 0.00 34 T 8.63 4.22 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 1.37 0.00 0.00 35 E 7.80 5.32 0.00 2.03 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 2.26 2.17 0.00 36 L 8.42 4.82 0.00 1.77 1.73 1.09 0.99 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 37 Q 9.25 4.74 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 38 A 8.78 4.11 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 39 N 9.37 4.73 0.00 2.96 3.05 0.00 0.00 6.81 7.54 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 40 Q 7.96 4.57 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 41 K 8.58 5.17 0.00 1.83 1.62 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.42 7.81 42 I 8.41 4.93 1.91 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 1.10 1.14 1.03 0.00 0.00 43 V 8.87 4.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.83 0.00 0.00 44 A 9.01 5.12 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 45 Y 8.39 4.89 0.00 3.02 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 46 K 8.65 5.02 0.00 2.09 1.59 0.00 1.84 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.29 1.51 7.81 47 N 9.46 4.86 0.00 2.71 2.78 0.00 0.00 6.93 8.25 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 48 I 8.64 4.55 2.02 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.01 1.07 0.00 0.00 49 T 9.41 4.98 4.32 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 1.36 0.00 0.00 50 F 9.03 4.04 0.00 2.89 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 51 N 7.57 4.79 0.00 2.85 2.88 0.00 0.00 6.98 7.53 0.00 0.00 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 E 7.89 4.84 0.00 2.09 1.75 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 2.38 2.54 0.00 53 D 8.74 4.31 0.00 2.84 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 54 V 7.60 3.46 1.58 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 0.55 0.00 0.00 0.23 0.00 0.00 55 F 7.35 4.55 0.00 2.84 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 56 N 8.20 4.70 0.00 2.83 2.89 0.00 0.00 6.68 6.93 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 57 G 7.69 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 58 H 7.68 3.78 0.00 2.72 2.76 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.94 5.20 0.00 3.17 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 60 P 0.00 4.46 0.00 2.12 2.10 0.00 4.00 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.38 0.00 61 N 9.63 4.41 0.00 2.94 2.99 0.00 0.00 6.82 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 62 K 8.36 4.64 0.00 1.79 1.81 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.42 7.81 63 P 0.00 4.81 0.00 1.49 1.95 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.07 0.00 64 I 8.94 4.89 2.14 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.06 1.09 0.00 0.00 65 F 9.61 4.06 0.00 3.17 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 66 P 0.00 3.80 0.00 1.64 1.47 0.00 2.20 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.29 0.00 67 G 8.39 3.23 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 68 V 7.50 3.83 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 0.76 0.00 0.00 0.79 0.00 0.00 69 L 7.44 4.15 0.00 1.08 1.45 0.42 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.63 4.19 2.42 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.15 1.21 0.00 0.00 71 V 8.01 3.68 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 1.21 0.00 0.00 1.09 0.00 0.00 72 E 8.41 4.21 0.00 2.31 2.19 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 2.33 2.38 0.00 73 G 7.97 3.61 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 0.00 0.00 0.00 74 M 7.73 3.66 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.77 0.00 75 A 8.23 3.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.89 3.79 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 1.88 2.25 0.00 77 S 7.59 4.16 0.00 3.91 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 78 G 8.08 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 79 G 8.09 3.38 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 0.00 0.00 0.00 0.00 80 F 8.26 3.89 0.00 3.02 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 81 L 7.89 3.90 0.00 1.90 1.65 1.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.93 2.00 0.19 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 83 F 7.88 3.69 0.00 3.08 2.80 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 84 T 7.59 4.26 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 85 S 7.46 4.19 0.00 3.89 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 0.00 86 L 7.26 3.80 0.00 1.07 0.13 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 87 W 7.65 4.60 0.00 2.82 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 88 G 7.98 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.68 4.59 0.00 3.17 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 90 D 7.82 4.80 0.00 2.93 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 91 P 0.00 4.23 0.00 2.11 1.94 0.00 3.86 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.37 0.00 92 E 8.03 3.95 0.00 1.88 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 0.00 2.28 2.31 0.00 93 I 7.75 3.70 1.83 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.22 -0.22 0.00 0.00 94 A 7.97 3.75 0.45 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 95 K 7.70 4.14 0.00 1.84 1.93 0.00 1.47 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.36 7.81 96 T 7.32 4.58 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 1.14 0.00 0.00 97 K 7.91 5.20 0.00 1.64 1.87 0.00 1.18 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.25 1.38 7.81 98 I 8.62 4.62 1.56 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.80 0.77 0.00 0.00 99 V 7.82 4.88 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 0.81 0.00 0.00 0.89 0.00 0.00 100 Y 9.16 4.78 0.00 3.01 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.97 4.63 0.00 3.17 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 0.00 102 M 9.63 4.77 0.00 1.94 2.30 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 103 T 7.84 4.87 4.29 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 1.26 0.00 0.00 104 I 8.08 5.16 1.80 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.32 0.89 0.00 0.00 105 D 9.47 4.66 0.00 2.72 2.51 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 0.00 106 K 8.04 3.91 0.00 1.79 1.94 0.00 1.63 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.51 7.81 107 V 7.22 4.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.70 0.00 0.00 108 K 7.99 4.46 0.00 1.71 1.51 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.47 7.81 109 F 8.94 5.06 0.00 2.99 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 0.00 110 R 9.04 4.54 0.00 1.86 2.01 0.00 3.25 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 111 I 7.62 4.70 1.93 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 1.51 0.65 0.96 0.00 0.00 112 P 0.00 4.53 0.00 2.17 2.14 0.00 3.81 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 2.05 2.03 0.00 113 V 8.56 4.63 2.34 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 1.15 0.00 0.00 1.07 0.00 0.00 114 T 8.81 5.14 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 1.34 0.00 0.00 115 P 0.00 4.53 0.00 1.99 2.12 0.00 3.53 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.15 0.00 116 G 9.50 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 0.00 117 D 7.90 4.65 0.00 2.77 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 0.00 118 R 8.26 4.48 0.00 1.65 1.69 0.00 2.85 0.00 0.00 2.83 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.24 0.00 119 L 8.35 4.11 0.00 1.63 1.43 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.36 4.79 0.00 1.97 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 2.31 2.42 0.00 121 Y 9.14 5.06 0.00 3.00 2.80 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 0.00 122 H 9.59 5.11 0.00 3.18 3.25 0.00 5.57 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.84 5.37 0.00 1.58 1.57 0.97 0.87 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 0.00 124 E 9.28 5.14 0.00 1.88 1.84 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 2.26 2.27 0.00 125 V 8.82 4.08 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 0.90 0.00 0.00 1.25 0.00 0.00 126 L 9.11 4.34 0.00 1.69 1.72 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 127 K 7.76 4.35 0.00 1.74 1.55 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.77 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.13 1.16 7.81 128 H 8.34 4.95 0.00 1.40 2.37 0.00 5.79 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 0.00 129 K 8.70 4.02 0.00 1.59 1.53 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.21 1.24 7.81 130 G 8.11 3.81 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 0.00 0.00 0.00 131 M 8.64 4.30 0.00 2.43 2.22 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.59 0.00 132 I 7.67 4.60 1.85 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 1.28 0.79 0.95 0.00 0.00 133 W 9.09 4.94 0.00 3.26 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 0.00 134 Q 9.41 4.94 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 2.27 2.51 0.00 135 V 8.80 5.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.98 0.00 0.00 136 G 9.08 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 7.90 4.44 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 0.00 138 T 7.81 5.33 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 1.22 0.00 0.00 139 A 9.21 5.26 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 0.00 140 Q 9.71 5.04 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.20 0.00 141 V 8.26 4.28 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 0.92 0.00 0.00 0.92 0.00 0.00 142 D 9.47 4.17 0.00 2.78 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 0.00 143 G 8.02 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.56 4.45 0.00 1.97 1.73 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.50 7.81 145 V 8.17 4.41 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 0.86 0.00 0.00 0.92 0.00 0.00 146 V 8.55 4.41 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 0.71 0.00 0.00 1.06 0.00 0.00 147 A 7.60 5.00 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 0.00 148 E 8.48 5.17 0.00 1.83 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 2.19 2.19 0.00 149 A 8.76 4.79 1.18 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 0.00 0.00 150 E 8.66 5.17 0.00 2.00 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 0.00 2.23 2.27 0.00 151 L 9.21 5.25 0.00 2.29 1.93 0.84 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 152 K 9.17 5.23 0.00 1.91 1.75 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.54 7.81 153 A 9.02 5.20 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 9.39 5.23 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 155 I 8.34 4.96 2.05 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 1.24 0.75 1.21 0.00 0.00 156 A 8.96 4.88 1.40 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 0.00 0.00 157 E 8.94 4.22 0.00 2.01 1.92 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 2.29 2.37 0.00 158 R 9.19 3.87 0.00 1.88 1.84 0.00 3.31 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 *159 E 8.76 4.17 0.00 1.79 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 2.17 2.41 0.00 * Residues marked with a * may have inaccurate shift predictions.