NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 P 4.3901 0.0000 0.0000 61.9839 32.3780 179.6818 *0 H 4.8266 8.8283 116.8979 54.1481 31.6662 170.8688 1 M 4.7581 8.2679 115.3470 55.6232 35.0141 174.7200 2 S 4.7584 8.0912 113.7367 57.3578 66.4130 172.9467 3 V 4.4577 7.9072 118.3559 61.0374 34.3755 173.8797 4 S 4.0927 8.6643 119.2368 59.1385 63.1575 175.4357 5 E 3.8895 9.0558 124.8032 59.6314 29.2622 178.5885 6 S 4.2699 7.8712 110.0748 59.0575 63.8660 174.2951 7 A 3.9400 7.5065 124.4471 52.4208 18.5483 176.8121 8 V 4.2182 7.8734 119.2054 60.9126 33.7980 175.2703 9 F 4.9461 8.5523 125.5810 56.6127 40.1786 174.9876 10 A 4.8216 8.4605 125.4211 50.6539 22.0792 175.1427 11 Y 4.8038 8.4936 120.7475 55.9894 41.2296 174.2449 12 E 4.2260 8.5275 126.7842 54.3142 31.5958 175.2585 13 S 4.3160 7.9254 118.8980 56.8153 63.4633 173.9080 14 S 4.3924 8.5626 121.6665 59.8080 63.7197 175.7397 15 V 4.0996 7.5275 113.3951 62.2187 31.9127 177.1296 16 H 4.0941 7.9357 118.7906 59.5153 29.6739 177.2495 17 S 4.0825 8.0617 115.1752 61.6757 62.7339 176.3756 18 T 3.9297 7.7760 118.9299 66.2696 68.3049 176.4758 19 N 4.3001 8.4078 118.8030 56.2007 38.5908 177.4909 20 V 3.4973 7.9443 119.9699 66.0090 31.6239 177.7349 21 L 3.9218 7.7773 119.9141 58.2870 41.8950 178.9470 22 L 4.1274 8.1607 118.6319 57.4803 41.4756 179.5940 23 S 4.2016 8.1978 115.7331 61.4101 62.7088 176.5595 24 L 4.0575 8.1557 121.8786 57.6582 41.2481 179.0445 25 N 4.1372 8.4021 117.2691 56.5765 39.0051 176.4832 26 D 4.2900 8.1739 119.5659 57.4535 41.2927 178.2673 27 Q 4.0155 8.3265 118.7292 58.8754 28.1795 178.7756 28 R 3.7449 8.0183 119.9013 59.3238 29.8649 178.7839 29 K 4.0476 8.1385 117.4948 58.6695 32.1275 178.6871 30 K 4.1466 7.8225 116.5505 55.3681 33.5260 175.6792 31 D 4.3285 7.4975 117.0936 55.1725 39.6026 173.7119 32 V 4.3480 7.5939 118.7295 61.0543 34.5244 176.4648 33 L 3.7961 8.6800 121.0467 55.8447 38.9747 174.2225 34 C 4.3927 7.2606 117.0532 59.2235 29.2318 173.4106 35 D 4.9459 8.6241 116.3730 53.4766 41.8194 175.5771 36 V 4.8037 7.7110 118.4770 60.6533 35.4667 173.8881 37 T 5.1205 8.7649 118.6208 61.8447 71.8145 172.9786 38 V 4.8300 9.0692 126.3798 61.0672 34.2698 173.8091 39 L 5.0400 9.1013 130.7591 53.5818 43.9789 175.1152 40 V 4.4112 8.6657 126.5158 60.9835 34.2225 175.4025 41 E 3.9073 9.8333 129.9527 57.5252 26.8932 176.2414 42 G 3.9822 8.2348 105.0698 45.5871 0.0000 173.3947 43 Q 4.3531 7.8856 121.3546 54.8474 30.2563 174.0089 44 R 5.0229 8.1308 123.0148 54.6418 32.2743 175.4990 45 F 4.7336 9.2173 122.4979 55.7383 41.6133 175.1187 46 R 4.7812 8.7293 122.7470 56.3146 31.5338 175.7012 47 A 4.4345 8.4655 121.8013 52.1723 23.7963 174.0858 48 H 5.2994 8.9728 115.2000 54.1576 30.3155 176.6603 49 R 3.9321 10.1262 122.6909 59.1957 29.0688 179.2104 50 S 4.0763 8.0313 114.5393 61.4035 63.0875 176.4966 51 V 3.4663 7.7154 121.9183 65.4441 31.4448 177.7593 52 L 3.9118 7.9914 118.4453 57.7066 41.1364 179.4336 53 A 4.2361 8.1955 119.9743 55.1160 18.3923 179.2233 54 A 4.1454 7.9680 118.4489 55.3019 18.9305 179.0388 55 C 4.4609 8.2699 113.9598 59.9408 28.6593 173.5971 56 S 5.2511 7.7031 114.5893 55.0003 65.3657 174.7682 57 S 4.2096 8.8632 123.9896 61.7411 62.5398 176.0322 58 Y 3.8111 7.8145 122.3441 60.7710 38.5329 178.2649 59 F 4.5572 8.6228 118.9750 60.7139 39.0140 177.0122 60 H 4.0959 8.6974 118.4243 59.5296 29.4706 177.5033 61 S 4.2315 7.9114 114.3001 61.1281 63.0125 176.0410 62 R 4.0781 7.5625 120.0717 57.5855 30.1291 177.7037 63 I 4.2494 7.4241 119.0434 63.8878 38.1487 177.7981 64 V 3.4637 7.5158 116.4861 66.3145 31.5579 176.6648 65 G 3.8981 7.6344 105.4763 45.8238 0.0000 173.5884 66 Q 4.1902 8.2669 119.9803 56.0946 29.1050 176.3200 67 T 4.4604 8.1613 109.2518 61.4665 70.5353 174.2211 68 D 4.3590 8.1066 122.6626 54.2766 41.0865 176.0228 69 A 4.1005 8.8251 127.9256 54.7230 19.0759 177.5547 70 E 4.6702 7.6774 114.8638 54.9901 27.9819 176.1770 71 L 4.2416 7.6811 123.7478 55.2809 44.2093 176.1342 72 T 5.1788 8.4811 121.4989 61.7634 71.8681 173.1846 73 V 4.4296 9.0784 126.8413 61.4805 34.0073 174.1788 74 T 4.9630 8.6445 124.8983 62.2932 69.7027 174.1442 75 L 4.7313 8.4593 127.3902 52.4784 43.1908 175.1838 76 P 4.4654 0.0000 0.0000 62.1141 32.0676 176.5964 77 E 3.8036 8.6565 118.9305 59.2147 29.4316 177.6767 78 E 3.7411 7.9556 117.1556 58.4262 29.5264 177.1232 79 V 4.0230 7.4452 119.0146 61.4186 32.6978 175.5334 80 T 4.8019 7.9875 116.8845 59.4107 72.8350 174.9113 81 V 3.8027 8.6177 122.1239 66.4834 31.2534 178.5583 82 K 4.1127 8.0774 118.0796 59.1614 32.5261 178.7265 83 G 3.7124 8.2009 106.0633 47.6919 0.0000 175.6298 84 F 4.0910 8.6232 124.2304 60.8786 39.3508 176.1174 85 E 3.8751 8.2501 118.8507 59.5373 29.3968 177.2982 86 P 4.3676 0.0000 0.0000 65.1973 31.4580 178.2119 87 L 3.9157 7.5152 120.3863 58.2092 42.3127 178.4738 88 I 3.6135 7.5264 118.8885 63.7627 37.6726 177.5942 89 Q 4.0589 8.0539 120.8181 58.7892 28.7215 178.0421 90 F 4.3616 8.4258 122.9271 60.8105 39.3243 176.6996 91 A 3.4143 7.6724 118.9291 55.1255 18.1698 178.3008 92 Y 4.3303 7.6362 111.4134 58.3274 38.5061 176.2657 93 T 4.4154 7.1984 107.4540 59.9006 70.4303 174.9387 94 A 3.3283 8.4643 124.4520 51.6977 17.3635 177.5101 95 K 4.6478 7.8046 115.8304 54.1991 33.9647 174.9262 96 L 4.8814 8.7631 125.8637 53.3877 43.1734 175.2164 97 I 4.4378 8.1399 126.9037 59.9315 38.9332 175.2498 98 L 4.7180 7.7935 122.2055 53.7296 45.7581 175.0246 99 S 4.4046 8.5911 114.8176 56.6337 66.2618 174.3593 100 K 2.4800 8.0468 120.4157 59.5498 31.4105 177.6164 101 D 4.4670 7.7243 115.5109 55.7181 41.2002 176.3360 102 N 4.8909 7.6871 114.2596 51.5982 39.3106 176.1884 103 V 3.5310 7.5844 119.0560 66.6044 31.3777 177.5709 104 D 4.3805 7.9520 117.6326 57.4346 40.7922 178.5257 105 E 3.9461 8.0269 118.6134 59.3135 29.7240 179.2150 106 V 3.8445 8.2353 119.9422 65.7409 31.3553 177.2917 107 C 4.5108 8.4146 115.4671 59.2582 38.3629 176.2279 108 R 3.9180 7.9221 120.4164 59.2625 29.6565 178.6711 109 C 4.2129 8.1983 116.7121 62.6608 28.1416 176.0331 110 V 3.6131 7.7353 119.7472 66.0703 30.8988 177.8073 111 E 3.9134 7.9673 118.5817 59.3851 29.3917 178.3558 112 F 4.0171 8.4334 119.6722 60.8780 39.5993 176.1716 113 L 4.1056 8.6268 116.8433 53.3255 43.1843 175.6945 114 S 4.1709 7.4148 114.6924 58.7314 60.1199 173.2606 115 V 4.6981 8.4994 119.8358 61.8101 31.0609 177.7502 116 H 3.2883 7.3333 115.3812 55.3521 30.2243 176.6644 117 N 4.6863 9.1744 115.7845 54.3962 39.0772 175.7868 118 I 4.4389 8.9097 119.1847 59.8915 39.4631 177.2483 119 E 3.9655 8.5448 120.8556 59.6314 29.2181 178.5137 120 E 3.9788 8.2314 116.5082 59.8348 29.3322 178.8199 121 S 3.6765 8.5494 117.1674 61.2011 62.9347 176.5047 122 C 4.4568 8.0092 118.2378 59.9664 39.6857 175.9173 123 F 4.0998 7.8512 121.2732 61.3401 39.1870 177.0449 124 Q 3.8985 8.0102 117.5018 59.1010 28.4734 178.7407 125 F 4.7227 8.0032 118.9667 60.4890 38.7213 176.9885 126 L 4.4343 8.0154 116.3910 55.7762 41.6500 178.3254 127 K 3.9728 7.9061 118.1575 56.3966 32.3876 176.4694 128 F 4.7828 7.1875 117.8796 55.4448 41.3071 175.0440 129 K 4.6481 8.2892 120.7939 54.7696 34.8523 176.7635 130 F 4.3533 9.0471 122.5325 56.3682 38.0383 174.6442 131 L 4.3998 8.3423 126.3387 53.9161 44.1799 173.8894 132 D 4.4247 8.3349 118.4262 53.8355 38.5210 172.2665 133 S 4.1272 8.3068 121.1226 59.4019 63.1053 175.7817 134 T 4.6799 7.9849 123.5659 61.1199 69.3253 174.5406 135 S 4.2969 8.1555 118.9551 58.8806 62.6091 175.3917 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 -1 P 0.00 4.39 0.00 2.11 1.07 0.00 3.66 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 1.84 1.59 0.00 *0 H 8.83 4.83 0.00 2.94 2.84 0.00 7.14 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 1 M 8.27 4.76 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 2 S 8.09 4.76 0.00 3.92 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 3 V 7.91 4.46 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 0.67 0.00 0.00 1.10 0.00 0.00 4 S 8.66 4.09 0.00 3.86 3.77 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 5 E 9.06 3.89 0.00 1.93 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 2.31 2.32 0.00 6 S 7.87 4.27 0.00 3.94 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 7 A 7.51 3.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.87 4.22 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 0.89 0.00 0.00 0.93 0.00 0.00 9 F 8.55 4.95 0.00 3.13 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 10 A 8.46 4.82 1.25 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 0.00 0.00 11 Y 8.49 4.80 0.00 2.78 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 12 E 8.53 4.23 0.00 1.84 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 13 S 7.93 4.32 0.00 3.49 3.60 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 14 S 8.56 4.39 0.00 4.00 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 15 V 7.53 4.10 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 0.85 0.00 0.00 0.97 0.00 0.00 16 H 7.94 4.09 0.00 3.21 3.29 0.00 5.79 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.06 4.08 0.00 4.05 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 18 T 7.78 3.93 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 1.20 0.00 0.00 19 N 8.41 4.30 0.00 2.83 2.85 0.00 0.00 6.63 8.32 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 20 V 7.94 3.50 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 0.94 0.00 0.00 0.76 0.00 0.00 21 L 7.78 3.92 0.00 1.87 1.75 0.78 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.16 4.13 0.00 1.99 1.70 0.94 0.76 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 23 S 8.20 4.20 0.00 4.03 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.16 4.06 0.00 2.03 1.92 0.83 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.40 4.14 0.00 3.26 3.00 0.00 0.00 6.79 7.98 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 26 D 8.17 4.29 0.00 2.94 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 27 Q 8.33 4.02 0.00 2.43 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 28 R 8.02 3.74 0.00 1.34 1.69 0.00 2.74 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.62 0.00 29 K 8.14 4.05 0.00 1.71 1.82 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.59 7.81 30 K 7.82 4.15 0.00 1.81 1.83 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.48 7.81 31 D 7.50 4.33 0.00 2.79 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 32 V 7.59 4.35 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 0.81 0.00 0.00 0.93 0.00 0.00 33 L 8.68 3.80 0.00 1.98 1.87 0.94 0.95 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 34 C 7.26 4.39 0.00 2.87 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 35 D 8.62 4.95 0.00 2.62 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 36 V 7.71 4.80 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 0.85 0.00 0.00 1.03 0.00 0.00 37 T 8.76 5.12 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 38 V 9.07 4.83 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 0.89 0.00 0.00 0.99 0.00 0.00 39 L 9.10 5.04 0.00 1.75 1.54 0.94 0.71 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 40 V 8.67 4.41 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 0.86 0.00 0.00 0.28 0.00 0.00 41 E 9.83 3.91 0.00 2.14 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 2.22 2.27 0.00 42 G 8.23 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 43 Q 7.89 4.35 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.74 0.00 0.00 0.00 0.00 0.00 1.71 2.07 0.00 44 R 8.13 5.02 0.00 1.64 1.80 0.00 3.17 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 45 F 9.22 4.73 0.00 3.14 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 46 R 8.73 4.78 0.00 1.66 1.81 0.00 3.56 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.91 0.00 47 A 8.47 4.43 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 48 H 8.97 5.30 0.00 3.23 3.28 0.00 5.83 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 10.13 3.93 0.00 2.00 2.26 0.00 2.79 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 50 S 8.03 4.08 0.00 4.07 4.18 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 51 V 7.72 3.47 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 0.42 0.00 0.00 0.76 0.00 0.00 52 L 7.99 3.91 0.00 1.53 1.08 0.39 0.73 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 53 A 8.20 4.24 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 54 A 7.97 4.15 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 55 C 8.27 4.46 0.00 3.04 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 56 S 7.70 5.25 0.00 4.01 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 0.00 57 S 8.86 4.21 0.00 3.95 3.93 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 58 Y 7.81 3.81 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 59 F 8.62 4.56 0.00 3.54 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 60 H 8.70 4.10 0.00 3.63 3.57 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 7.91 4.23 0.00 4.01 3.94 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 62 R 7.56 4.08 0.00 2.02 2.10 0.00 2.75 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 63 I 7.42 4.25 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.98 0.92 0.00 0.00 64 V 7.52 3.46 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 0.79 0.00 0.00 0.73 0.00 0.00 65 G 7.63 3.90 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 0.00 0.00 0.00 66 Q 8.27 4.19 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.67 0.00 0.00 0.00 0.00 0.00 2.61 2.49 0.00 67 T 8.16 4.46 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 1.21 0.00 0.00 68 D 8.11 4.36 0.00 2.70 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 69 A 8.83 4.10 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 70 E 7.68 4.67 0.00 1.85 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 2.22 2.22 0.00 71 L 7.68 4.24 0.00 1.96 1.55 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.48 5.18 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 73 V 9.08 4.43 2.31 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 1.24 0.00 0.00 1.07 0.00 0.00 74 T 8.64 4.96 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 1.24 0.00 0.00 75 L 8.46 4.73 0.00 1.39 1.46 0.53 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.47 0.00 2.22 2.28 0.00 3.79 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.26 0.00 77 E 8.66 3.80 0.00 1.90 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 2.24 2.31 0.00 78 E 7.96 3.74 0.00 1.16 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 2.04 2.17 0.00 79 V 7.45 4.02 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 0.68 0.00 0.00 0.61 0.00 0.00 80 T 7.99 4.80 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 1.16 0.00 0.00 81 V 8.62 3.80 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.15 0.00 0.00 82 K 8.08 4.11 0.00 1.80 1.99 0.00 1.99 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.50 7.81 83 G 8.20 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 0.00 0.00 0.00 0.00 84 F 8.62 4.09 0.00 3.03 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 85 E 8.25 3.88 0.00 2.40 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 2.41 2.47 0.00 86 P 0.00 4.37 0.00 2.30 2.30 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.01 0.00 87 L 7.52 3.92 0.00 1.79 1.53 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.53 3.61 0.99 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.29 0.83 0.00 0.00 89 Q 8.05 4.06 0.00 2.39 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 90 F 8.43 4.36 0.00 3.25 3.29 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 91 A 7.67 3.41 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 92 Y 7.64 4.33 0.00 2.94 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 93 T 7.20 4.42 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 1.28 0.00 0.00 94 A 8.46 3.33 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.80 4.65 0.00 1.85 1.79 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.57 7.81 96 L 8.76 4.88 0.00 1.46 1.55 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.14 4.44 1.86 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 1.44 1.00 0.87 0.00 0.00 98 L 7.79 4.72 0.00 1.23 1.33 0.82 0.79 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 99 S 8.59 4.40 0.00 3.80 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 0.00 100 K 8.05 2.48 0.00 1.16 1.59 0.00 1.79 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.23 1.33 7.81 101 D 7.72 4.47 0.00 2.61 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 N 7.69 4.89 0.00 2.85 2.94 0.00 0.00 5.86 7.68 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 0.00 103 V 7.58 3.53 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 1.15 0.00 0.00 0.80 0.00 0.00 104 D 7.95 4.38 0.00 2.72 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 0.00 105 E 8.03 3.95 0.00 1.99 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 2.37 2.34 0.00 106 V 8.24 3.84 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 1.17 0.00 0.00 1.03 0.00 0.00 107 C 8.41 4.51 0.00 3.19 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 0.00 108 R 7.92 3.92 0.00 1.99 1.96 0.00 3.10 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.98 0.00 109 C 8.20 4.21 0.00 3.16 3.06 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 0.00 0.00 0.00 110 V 7.74 3.61 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 0.99 0.00 0.00 0.99 0.00 0.00 111 E 7.97 3.91 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 112 F 8.43 4.02 0.00 3.08 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.63 4.11 0.00 1.66 1.49 1.07 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.41 4.17 0.00 4.02 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.50 4.70 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 1.31 0.00 0.00 1.01 0.00 0.00 116 H 7.33 3.29 0.00 3.36 3.20 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 9.17 4.69 0.00 3.09 3.05 0.00 0.00 6.60 7.45 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 0.00 118 I 8.91 4.44 1.85 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.43 0.73 0.00 0.00 119 E 8.54 3.97 0.00 2.04 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 2.41 2.47 0.00 120 E 8.23 3.98 0.00 2.20 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 0.00 2.35 2.45 0.00 121 S 8.55 3.68 0.00 3.86 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 0.00 122 C 8.01 4.46 0.00 3.20 3.22 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 0.00 123 F 7.85 4.10 0.00 2.99 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 0.00 124 Q 8.01 3.90 0.00 1.81 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 2.55 2.39 0.00 125 F 8.00 4.72 0.00 3.13 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 0.00 126 L 8.02 4.43 0.00 1.61 1.71 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 127 K 7.91 3.97 0.00 1.39 1.31 0.00 1.35 0.00 0.00 1.39 0.00 0.00 2.88 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.99 1.09 7.81 128 F 7.19 4.78 0.00 2.84 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.29 4.65 0.00 1.71 1.72 0.00 1.83 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.39 7.81 130 F 9.05 4.35 0.00 3.01 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 0.00 131 L 8.34 4.40 0.00 1.56 1.64 0.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.33 4.42 0.00 2.82 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 0.00 133 S 8.31 4.13 0.00 3.89 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 0.00 134 T 7.98 4.68 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 1.21 0.00 0.00 135 S 8.16 4.30 0.00 3.97 3.89 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 * Residues marked with a * may have inaccurate shift predictions.