NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.2419 8.1832 117.6008 52.3527 38.7435 175.0617 2 L 4.1415 8.7949 120.8541 57.6105 41.0297 179.2669 3 F 3.7464 9.1764 119.2549 60.6809 39.4724 177.0220 4 Q 3.9791 8.8031 117.8619 59.0166 28.4857 178.6243 5 F 4.5842 8.3682 120.9591 62.1857 38.9244 175.9053 6 A 3.7491 8.6566 120.8797 53.7048 17.7058 179.2177 7 K 4.0864 7.7962 119.0226 59.9963 32.7298 178.2904 8 M 4.5218 8.4111 118.2643 57.9461 32.1134 177.8735 9 I 3.7478 8.6910 119.8894 64.3239 38.7000 176.5094 10 N 5.5511 8.4609 118.6887 50.7121 35.0071 173.5809 11 G 3.9938 7.5154 109.6993 45.9203 0.0000 172.5430 12 K 4.3458 8.2409 119.9020 57.4915 33.0687 176.9090 13 L 4.7106 7.8943 115.8551 54.4966 42.7046 176.3903 14 G 3.8295 7.7925 103.9454 44.1694 0.0000 173.8026 *16 A 4.2897 8.3852 125.4228 52.9108 19.8751 177.8149 17 F 3.7529 8.6792 119.0342 58.9757 39.3656 177.4618 18 S 4.2156 8.2650 116.6559 62.0619 63.0197 176.7834 19 V 3.1973 8.0842 120.8345 64.9538 30.5166 178.5419 20 W 4.6011 7.3439 118.7641 59.4387 28.6653 177.7667 21 N 4.2537 9.2231 116.9867 55.6006 38.3149 174.6994 22 Y 4.5214 7.5288 115.7644 57.4639 39.3269 176.3514 23 I 4.0505 7.9795 115.6553 64.0134 37.3936 175.8972 24 S 4.8799 7.1328 112.4926 56.3815 65.1667 171.5281 25 Y 4.8697 9.5453 129.0803 57.3897 40.1558 171.9013 26 G 3.7164 6.4058 116.0529 44.6523 0.0000 173.3064 27 C 4.3128 8.7910 114.4232 58.5658 40.4045 175.0847 28 Y 5.3616 8.9152 114.3466 56.6245 39.7603 175.4224 29 C 4.8343 8.2102 115.5479 57.3937 41.9790 176.2312 30 G 4.1038 8.1962 109.9243 46.5956 0.0000 175.6370 31 W 4.5657 9.3308 123.8032 56.1231 30.6240 176.2675 32 G 4.0757 9.9662 107.5194 46.3948 0.0000 173.0117 33 G 4.2747 7.8778 104.0972 44.5789 0.0000 172.1854 34 Q 4.5259 7.3815 122.3732 55.9667 32.5527 174.1118 35 G 4.5392 8.1747 108.8337 45.0912 0.0000 176.0182 36 T 4.5829 8.1598 113.3170 58.5881 70.8893 172.8439 37 P 5.3207 0.0000 0.0000 61.7248 29.0581 176.9957 38 K 3.6142 7.7796 122.5062 58.6729 32.1056 175.6378 39 D 4.5090 7.8794 117.0403 51.1782 42.2542 175.9734 40 A 4.2333 8.5504 120.4345 55.0075 18.5237 179.7566 41 T 4.2718 8.3065 114.2940 67.1469 68.9703 175.9554 42 D 4.7486 8.9216 120.1227 58.0034 41.0037 178.7082 43 R 4.1083 7.9274 117.6602 59.2536 29.9476 177.4619 44 C 4.1455 8.5495 117.1600 60.5949 38.4391 175.1308 45 C 4.1852 8.5264 116.8324 60.3869 40.3937 175.6371 46 F 4.2297 8.1532 121.1219 61.8442 38.8277 177.4845 47 V 2.9858 8.4214 118.3739 66.1847 31.2197 177.2162 48 H 3.8399 8.5920 118.1938 59.3981 29.6054 176.5630 49 D 4.4333 9.8073 120.2427 57.9879 40.2304 178.9504 50 C 4.2393 8.1840 116.7420 59.9408 40.0488 174.9048 51 C 4.1070 8.1770 120.4755 60.2355 42.9215 175.3441 52 Y 4.2218 8.2193 117.0900 60.9742 37.4958 178.6514 53 G 3.8483 8.0705 105.9091 48.4362 0.0000 175.3308 54 R 4.0981 9.2702 120.4900 57.1828 30.1157 176.9359 55 V 3.3401 7.2065 119.5045 61.3450 31.2903 175.6655 56 R 4.3530 8.5575 121.9225 54.1394 31.3624 176.2074 *59 G 4.0692 8.9059 111.1214 45.1935 0.0000 171.0834 *61 C 4.4985 7.7631 112.8667 54.5767 41.0878 173.0559 *67 N 4.3618 8.3415 120.0654 52.8467 38.0066 172.6697 68 P 3.7495 0.0000 0.0000 65.4081 32.0817 177.6590 69 K 4.0997 8.1336 118.2674 59.6218 32.1495 178.3299 70 L 4.2886 7.6220 114.6965 55.3119 42.3360 176.9581 71 A 4.0738 8.9179 121.3955 52.5493 18.7427 177.6931 72 I 4.1419 7.8848 120.8399 60.8220 39.5423 173.8210 73 Y 4.8327 7.2439 126.6114 55.1755 40.2813 174.4539 74 S 5.0309 9.0467 112.5230 56.3556 65.6157 173.0569 75 Y 4.6972 8.0158 121.7877 57.4019 38.6958 171.3127 76 S 4.0756 7.1271 111.6680 57.3283 65.7976 174.7987 77 F 4.4235 8.6642 120.6736 57.4799 40.0528 176.8614 78 K 4.3809 8.5221 124.8448 55.6341 30.7003 178.2785 79 K 3.3458 8.1955 117.9200 57.6155 33.4008 175.2250 80 G 4.1928 9.0715 105.3729 46.1862 0.0000 173.7219 81 N 4.5510 8.8551 115.8068 53.2918 40.1282 173.5414 82 I 4.3102 8.0166 120.0367 60.0118 38.4767 176.0587 83 V 4.3484 7.8231 119.1297 59.7085 35.3638 175.3924 84 C 4.6342 8.8031 123.5573 56.3735 41.4423 174.1680 85 G 3.9454 7.9308 105.0456 44.9779 0.0000 172.6473 86 K 3.4583 7.7026 122.3682 56.3032 29.1619 175.5177 *88 N 5.0557 8.3742 119.6577 53.1306 39.7089 174.1041 89 N 4.7098 8.5453 116.6994 52.0035 38.2898 176.4312 90 G 3.7662 8.1255 117.7181 46.3691 0.0000 172.4409 91 C 4.2338 9.1306 118.7007 57.5271 40.9579 175.8779 92 L 4.0699 7.9177 118.0490 55.2538 41.9256 176.5099 93 R 4.3871 9.7905 116.3979 56.9178 33.5811 176.7391 94 D 4.3156 8.5000 118.0834 57.7421 40.6470 179.3906 95 I 3.5932 7.5427 119.7210 64.2713 37.1545 178.3538 96 C 2.9176 7.4548 118.5371 59.7546 41.3659 175.3775 97 E 4.0764 7.9176 119.6805 60.5008 28.7411 178.0131 98 C 3.7742 8.2778 114.2837 60.3985 35.8408 175.8591 99 D 3.5488 7.8316 119.4821 57.9588 40.8074 178.9062 100 R 3.7326 8.5964 119.7897 59.4402 29.5185 178.2586 101 V 3.4557 8.7109 117.8497 66.8459 31.5651 177.5388 102 A 3.4706 9.0465 118.9624 55.3573 18.0862 179.0427 103 A 4.2574 8.9914 117.0573 55.5082 18.7582 179.3933 104 N 4.2712 8.4216 114.0827 56.7563 38.5336 176.4444 105 C 3.9771 8.8390 118.8516 60.2297 41.8700 175.3684 106 F 4.6296 8.1923 119.1787 60.9694 38.4198 176.7284 107 H 4.0071 8.6139 117.4117 59.8992 29.5090 176.8655 108 Q 3.5631 8.1124 119.3187 58.7137 28.4321 177.4804 109 N 4.9973 8.4101 115.9917 52.3557 38.8449 176.1866 110 K 3.8853 8.7001 122.9475 60.1890 32.5785 177.8852 111 N 4.5175 8.3135 115.9146 55.6245 37.3727 178.3007 112 T 4.2706 7.3970 116.1537 62.7050 67.3219 173.5813 113 Y 4.7751 7.7622 121.0084 56.4565 41.0089 174.7699 114 N 4.7389 6.9145 121.3473 51.2218 39.2962 174.7886 115 K 4.1333 8.3681 118.3209 57.1781 33.0083 176.7523 116 N 4.5012 9.0430 118.8171 56.1724 39.4816 176.6063 117 Y 4.2588 7.4043 113.8121 58.9160 37.9941 176.1169 118 K 4.0209 7.9429 121.3261 58.2965 32.6135 177.1254 119 F 3.8376 7.5892 114.8326 58.3981 35.8290 175.7859 120 L 4.7297 7.7969 130.1350 53.6793 43.4169 175.7358 121 S 4.5916 8.2952 113.8683 57.5544 65.7378 175.9174 122 S 3.8693 8.7907 122.1738 61.4115 62.6045 176.1527 *124 S 4.4215 8.0372 113.1576 58.3278 64.3180 175.3014 125 R 4.0300 8.2552 118.6424 57.9214 30.3858 176.0657 126 C 5.5853 7.5593 113.4231 54.7868 40.0196 174.2280 127 R 4.0784 7.5791 115.9189 56.2549 31.2303 177.1466 128 Q 4.0852 7.7077 118.1224 55.3944 29.2206 175.0863 129 T 3.7896 8.2821 108.5577 62.3173 67.5427 173.9119 130 S 4.0738 8.1226 122.2342 59.5242 63.3290 172.6674 131 E 3.5443 7.9897 128.1996 55.7065 26.6910 174.0761 132 Q 4.3121 8.0419 121.3429 55.5909 29.4927 178.2878 133 C 4.5141 8.6495 114.1596 57.4763 41.3715 173.8674 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 N 8.18 5.24 0.00 3.05 3.23 0.00 0.00 6.09 5.79 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 2 L 8.79 4.14 0.00 1.84 1.89 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.18 3.75 0.00 3.34 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 4 Q 8.80 3.98 0.00 2.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.17 0.00 5 F 8.37 4.58 0.00 3.30 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 6 A 8.66 3.75 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 7 K 7.80 4.09 0.00 1.90 2.12 0.00 1.88 0.00 0.00 1.83 0.00 0.00 3.15 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.55 7.81 8 M 8.41 4.52 0.00 2.62 2.36 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.69 0.00 9 I 8.69 3.75 1.80 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.24 0.65 0.00 0.00 10 N 8.46 5.55 0.00 2.64 2.78 0.00 0.00 6.72 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 11 G 7.52 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 12 K 8.24 4.35 0.00 1.93 2.00 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.70 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.48 7.81 13 L 7.89 4.71 0.00 1.69 1.68 1.05 1.16 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 G 7.79 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 0.00 0.00 0.00 *16 A 8.39 4.29 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 17 F 8.68 3.75 0.00 3.45 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 18 S 8.27 4.22 0.00 3.91 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 19 V 8.08 3.20 1.50 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 -1.02 0.00 0.00 0.24 0.00 0.00 20 W 7.34 4.60 0.00 3.63 3.21 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 21 N 9.22 4.25 0.00 2.41 1.97 0.00 0.00 7.08 7.42 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 22 Y 7.53 4.52 0.00 2.90 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 23 I 7.98 4.05 2.19 0.00 0.00 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 1.63 0.76 1.50 0.00 0.00 24 S 7.13 4.88 0.00 4.01 3.19 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 25 Y 9.55 4.87 0.00 2.97 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 26 G 6.41 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 0.00 0.00 0.00 27 C 8.79 4.31 0.00 2.94 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 28 Y 8.92 5.36 0.00 3.26 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 29 C 8.21 4.83 0.00 3.60 3.35 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 30 G 8.20 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 31 W 9.33 4.57 0.00 3.30 3.26 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 32 G 9.97 4.08 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 0.00 0.00 0.00 33 G 7.88 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 0.00 0.00 0.00 0.00 34 Q 7.38 4.53 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.04 2.43 0.00 35 G 8.17 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.16 4.58 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 1.19 0.00 0.00 37 P 0.00 5.32 0.00 2.22 2.13 0.00 3.88 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.77 0.00 38 K 7.78 3.61 0.00 0.88 0.74 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.25 1.21 7.81 39 D 7.88 4.51 0.00 2.86 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.55 4.23 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 41 T 8.31 4.27 4.75 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 1.74 0.00 0.00 42 D 8.92 4.75 0.00 2.80 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.93 4.11 0.00 2.07 2.14 0.00 3.22 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 1.67 1.92 0.00 44 C 8.55 4.15 0.00 3.12 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 0.00 0.00 0.00 45 C 8.53 4.19 0.00 3.52 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.15 4.23 0.00 2.51 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 47 V 8.42 2.99 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 0.80 0.00 0.00 0.79 0.00 0.00 48 H 8.59 3.84 0.00 3.11 3.40 0.00 5.87 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 49 D 9.81 4.43 0.00 3.04 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 50 C 8.18 4.24 0.00 2.86 2.96 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 51 C 8.18 4.11 0.00 2.93 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 52 Y 8.22 4.22 0.00 2.78 2.96 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 53 G 8.07 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 9.27 4.10 0.00 1.92 1.91 0.00 3.15 0.00 0.00 3.21 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 55 V 7.21 3.34 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 0.74 0.00 0.00 0.83 0.00 0.00 56 R 8.56 4.35 0.00 1.95 2.04 0.00 2.97 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 *59 G 8.91 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 0.00 0.00 0.00 0.00 *61 C 7.76 4.50 0.00 3.10 3.21 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 *67 N 8.34 4.36 0.00 2.74 2.79 0.00 0.00 7.16 7.71 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 68 P 0.00 3.75 0.00 1.59 0.49 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 69 K 8.13 4.10 0.00 1.88 2.04 0.00 1.68 0.00 0.00 1.90 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.61 7.81 70 L 7.62 4.29 0.00 1.73 1.67 0.93 0.82 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 71 A 8.92 4.07 1.22 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 0.00 0.00 72 I 7.88 4.14 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.51 0.77 0.00 0.00 73 Y 7.24 4.83 0.00 3.05 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 74 S 9.05 5.03 0.00 4.03 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 75 Y 8.02 4.70 0.00 3.38 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 76 S 7.13 4.08 0.00 3.89 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 77 F 8.66 4.42 0.00 2.99 2.96 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 78 K 8.52 4.38 0.00 1.85 1.78 0.00 1.85 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.50 7.81 79 K 8.20 3.35 0.00 1.89 1.91 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.42 7.81 80 G 9.07 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 81 N 8.86 4.55 0.00 2.87 2.79 0.00 0.00 6.75 7.11 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 82 I 8.02 4.31 1.71 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 1.40 0.52 0.25 0.00 0.00 83 V 7.82 4.35 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.99 0.00 0.00 84 C 8.80 4.63 0.00 2.76 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 85 G 7.93 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 86 K 7.70 3.46 0.00 2.04 1.88 0.00 1.57 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.49 7.81 *88 N 8.37 5.06 0.00 2.69 2.95 0.00 0.00 7.18 8.00 0.00 0.00 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 N 8.55 4.71 0.00 2.80 2.85 0.00 0.00 5.90 7.00 0.00 0.00 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 G 8.13 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 0.00 0.00 0.00 91 C 9.13 4.23 0.00 3.07 3.34 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 92 L 7.92 4.07 0.00 1.60 1.96 1.06 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 93 R 9.79 4.39 0.00 1.81 1.96 0.00 3.04 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.63 0.00 94 D 8.50 4.32 0.00 2.58 2.66 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 95 I 7.54 3.59 1.82 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.06 0.93 0.00 0.00 96 C 7.45 2.92 0.00 1.50 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 97 E 7.92 4.08 0.00 2.08 1.87 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 2.24 2.40 0.00 98 C 8.28 3.77 0.00 3.15 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 99 D 7.83 3.55 0.00 2.43 2.23 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 0.00 100 R 8.60 3.73 0.00 1.64 1.91 0.00 3.20 0.00 0.00 2.99 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 101 V 8.71 3.46 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 0.85 0.00 0.00 102 A 9.05 3.47 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.99 4.26 1.63 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 0.00 0.00 104 N 8.42 4.27 0.00 2.90 2.91 0.00 0.00 6.74 7.19 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 0.00 105 C 8.84 3.98 0.00 2.87 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 0.00 106 F 8.19 4.63 0.00 3.29 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 0.00 107 H 8.61 4.01 0.00 3.32 3.52 0.00 5.61 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 8.11 3.56 0.00 2.15 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 109 N 8.41 5.00 0.00 3.09 2.94 0.00 0.00 6.57 7.04 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 0.00 110 K 8.70 3.89 0.00 1.67 1.94 0.00 1.50 0.00 0.00 1.31 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.39 7.81 111 N 8.31 4.52 0.00 2.89 3.03 0.00 0.00 6.04 7.71 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 0.00 112 T 7.40 4.27 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 1.31 0.00 0.00 113 Y 7.76 4.78 0.00 3.18 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 0.00 114 N 6.91 4.74 0.00 2.78 2.65 0.00 0.00 7.12 6.78 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 0.00 115 K 8.37 4.13 0.00 1.99 1.89 0.00 1.88 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.60 7.81 116 N 9.04 4.50 0.00 2.55 2.29 0.00 0.00 7.21 7.44 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 0.00 117 Y 7.40 4.26 0.00 1.96 2.23 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 0.00 118 K 7.94 4.02 0.00 1.95 1.89 0.00 0.81 0.00 0.00 1.54 0.00 0.00 3.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.45 7.81 119 F 7.59 3.84 0.00 3.23 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 0.00 120 L 7.80 4.73 0.00 1.63 1.59 0.84 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.30 4.59 0.00 3.79 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 0.00 122 S 8.79 3.87 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 *124 S 8.04 4.42 0.00 4.04 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 0.00 125 R 8.26 4.03 0.00 1.78 2.03 0.00 3.12 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 126 C 7.56 5.59 0.00 2.82 3.10 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 0.00 127 R 7.58 4.08 0.00 1.78 1.95 0.00 3.37 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.52 0.00 128 Q 7.71 4.09 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 7.05 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 129 T 8.28 3.79 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 0.00 130 S 8.12 4.07 0.00 3.89 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 0.00 131 E 7.99 3.54 0.00 2.12 1.99 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 2.26 2.34 0.00 132 Q 8.04 4.31 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 133 C 8.65 4.51 0.00 3.01 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.