NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 D 4.4789 8.2227 120.2113 54.3248 42.9192 177.1142 13 V 3.4722 8.1065 114.0165 62.2682 30.5043 169.6980 14 S 4.8398 7.7916 113.6788 58.9152 65.0294 172.7351 15 G 3.8834 8.8373 110.2547 44.3917 0.0000 172.1580 16 T 4.7748 8.0010 117.5157 62.5226 69.8623 174.5099 17 W 5.2116 9.2391 124.6114 55.2481 34.4563 173.4617 18 Y 4.8836 9.2475 118.3489 56.1036 41.1988 175.1641 19 L 4.5829 8.7768 125.9550 54.9800 41.6867 176.0509 20 K 4.4855 9.2843 126.6916 57.4984 33.3861 176.7895 21 A 4.7060 7.4613 119.5706 51.4096 22.4180 174.9164 22 M 5.3728 8.1382 114.4536 54.5936 34.8236 174.2601 23 T 4.8272 8.8658 112.0905 61.8570 70.1882 174.1190 24 V 4.4012 8.3700 117.7746 59.7378 33.3072 175.3236 25 D 4.6205 8.6966 125.2619 53.9994 42.0674 176.3944 26 R 4.2370 8.6430 124.7274 58.4229 30.5763 177.9870 27 E 4.1070 9.0932 116.8483 58.0940 29.4206 177.7524 28 F 4.6939 8.1588 117.8789 55.7084 40.9856 172.8913 29 P 4.7799 0.0000 0.0000 59.9251 30.1888 175.2965 30 E 4.8137 7.6022 115.1799 57.5437 35.3722 176.3031 31 M 4.4946 8.0679 119.3134 53.1610 32.0549 172.1434 32 N 4.7183 8.6862 120.8852 51.5178 40.7954 173.3020 33 L 4.1084 8.5832 129.0576 55.9385 42.0336 176.0553 34 E 4.3572 9.2403 127.5756 58.7485 30.4641 176.7533 35 S 4.9346 7.7004 111.6964 57.2675 66.4240 173.2305 36 V 4.9946 8.6030 122.3378 60.3501 34.8048 175.0741 37 T 5.7420 8.6403 114.2688 59.0044 70.7100 172.3533 38 P 4.1571 0.0000 0.0000 63.2062 32.2980 175.0765 39 M 4.6961 8.8656 120.9698 54.2276 34.6157 174.4827 40 T 4.8959 9.0879 123.1454 61.8949 71.0343 173.1142 41 L 5.0160 9.4449 129.8106 53.7164 44.3909 174.9413 42 T 4.8277 8.7381 123.9062 61.9427 71.1697 174.2010 43 T 4.4279 8.3054 124.0315 62.8834 67.4428 174.9644 44 L 3.9105 7.8052 126.1591 57.4073 42.3976 177.3963 *48 N 5.0053 7.7975 114.0460 53.3819 39.8069 172.9888 49 L 5.0080 9.4506 123.6492 52.8313 46.4297 175.3693 50 E 5.0696 8.9968 121.1087 54.6395 32.2579 174.6969 51 A 5.0308 8.8997 127.3189 49.8924 21.7504 175.0422 52 K 5.0680 8.8240 123.9535 54.6081 35.7596 175.3249 53 V 4.6242 8.5864 124.3633 61.1280 35.2620 172.1594 54 T 4.9914 8.4489 119.7687 62.2751 70.9918 173.3623 55 M 5.0592 9.0539 125.5171 53.4292 35.6808 174.9395 56 L 4.6433 8.9913 126.5226 54.3416 42.7631 174.6598 57 I 4.7318 8.5187 127.3787 59.3096 39.3463 176.4221 58 S 4.0889 9.4086 125.8210 59.5636 60.8313 172.9044 59 G 4.0830 8.6202 108.4388 44.8842 0.0000 173.9160 60 R 4.4702 7.5331 118.7550 54.4702 31.7757 174.3163 61 C 4.9285 8.6431 122.1466 56.6925 38.0047 172.9547 62 Q 4.5619 9.0882 125.0684 54.1463 30.3028 175.1455 63 E 4.5356 8.7855 124.8834 55.7849 30.2957 176.2421 64 V 4.2930 8.9208 125.8609 61.3773 33.8012 174.7540 65 K 5.1005 8.3472 127.2002 55.1063 35.2085 174.7521 66 A 4.8089 9.2202 129.1922 49.9677 22.5614 174.9787 67 V 4.4864 8.4237 121.6079 60.1282 33.0112 175.6769 68 L 4.6397 9.6990 128.1772 53.4553 42.5156 175.9207 69 E 4.8457 9.1762 125.4426 54.5661 30.6727 176.9190 70 K 3.7376 8.7970 125.9422 56.7857 33.3570 175.1770 71 T 4.6999 7.5214 113.1973 59.8599 71.7013 173.3292 72 D 4.3121 8.8057 119.8673 56.2463 41.2887 176.1444 73 E 4.4141 7.5742 119.9003 53.4320 30.1320 173.3616 74 P 4.3805 0.0000 0.0000 64.4399 31.8940 176.9657 75 G 4.1261 9.0706 110.8727 44.8920 0.0000 172.1036 76 K 4.7541 7.5682 121.1001 54.9669 33.7498 174.9823 77 Y 4.9617 9.0064 123.8063 56.6262 42.9160 173.7227 78 T 5.2139 8.6578 114.2753 60.9291 71.6923 171.9424 79 A 4.8737 8.9402 123.7532 51.3951 23.3240 175.3575 80 D 4.1639 9.3842 115.9273 55.7195 40.1067 173.8045 81 G 4.0860 8.7859 101.6265 46.8430 0.0000 174.4168 82 G 4.4014 8.0727 102.5102 45.8273 0.0000 174.0334 83 K 4.1691 7.7700 118.7129 57.9434 32.6092 176.0888 84 H 5.0646 8.1555 117.0969 53.9920 32.6775 172.4062 85 V 4.8059 8.9722 123.5645 60.9820 34.2704 174.2093 86 A 4.8257 9.0030 128.1333 50.2471 23.1135 174.2236 87 Y 5.0786 8.7490 117.4469 56.1839 41.5604 174.7834 88 I 5.0157 9.1173 125.9200 59.6483 39.2924 174.9771 89 I 4.7470 8.4233 121.1544 58.6614 40.3649 175.5313 90 R 3.4925 8.6090 123.7205 56.2793 30.5461 176.3454 91 S 4.5664 8.0598 117.8190 57.6979 62.9839 173.9359 92 H 4.2205 8.5308 123.8709 58.3536 30.2548 175.6200 93 V 4.0569 7.5005 120.0947 60.6480 32.1901 174.9081 94 K 3.8356 8.6185 127.9817 58.4751 32.5323 175.4630 95 D 4.8081 9.0802 122.9926 55.6894 38.3520 172.7270 96 H 5.7704 7.9310 113.3773 54.5878 33.5042 172.2256 97 Y 5.0961 9.2164 117.6457 56.4592 42.7509 174.1373 98 I 5.0672 8.8467 123.5968 59.7762 39.6900 174.2955 99 F 5.3327 9.8197 129.7271 56.5543 41.9913 173.4023 100 Y 5.5141 8.3353 126.6461 56.0930 42.3226 174.0943 101 S 4.6158 7.5414 117.8902 57.1214 66.9688 172.8625 102 E 4.9709 8.5768 120.9778 55.0171 33.2208 175.8683 103 G 3.8025 8.3481 108.2805 45.9731 0.0000 172.0186 104 E 5.2682 8.6238 118.8536 54.5148 33.1182 175.2953 105 L 4.5710 9.0248 122.9513 55.0057 44.7315 176.0022 106 H 4.2934 10.3410 124.3412 56.9056 26.5690 174.7090 107 G 4.3497 8.7105 109.1174 45.7228 0.0000 175.2794 108 K 4.2498 7.5447 118.3802 55.1719 32.7534 174.5032 109 P 5.0082 0.0000 0.0000 62.8757 32.2511 176.3656 110 V 4.8443 9.0797 116.1614 60.1889 36.3839 174.1075 111 R 5.4853 7.7890 119.0498 55.8425 32.7602 174.1320 112 G 4.2400 8.2058 106.1876 45.9504 0.0000 171.7467 113 V 5.3296 8.4516 119.6926 60.9890 34.4207 174.5724 114 K 5.3630 9.9088 126.1292 54.6709 36.5697 174.6475 115 L 5.2763 9.0395 126.1126 53.6162 44.2128 175.5292 116 V 5.6414 8.3369 118.7005 58.9436 35.7463 174.8552 117 G 4.7416 8.7922 109.2668 45.0249 0.0000 173.6966 118 R 3.7155 8.6954 119.7603 57.8952 29.3833 176.9921 119 D 4.7444 7.8845 118.9406 51.2016 42.9071 174.9642 120 P 4.1058 0.0000 0.0000 65.0821 31.3942 176.9735 121 K 3.9222 7.1280 119.1262 55.9076 32.5626 176.0264 122 N 4.2790 8.6444 123.0163 53.4634 39.0022 174.5503 123 N 4.8392 8.5232 120.8732 51.4393 41.1885 174.6782 124 L 4.0130 8.4449 129.2744 57.8497 41.6648 179.3067 125 E 4.0402 8.2603 118.0377 59.0765 29.4540 178.9485 126 A 4.0103 8.8254 121.5023 54.8693 18.4061 179.3982 127 L 4.0447 8.0796 119.0657 58.2253 42.1160 178.8468 128 E 3.9877 8.3529 119.4208 59.2522 29.5750 178.3631 129 D 4.3108 7.9492 117.9873 57.2358 41.2636 177.8871 130 F 4.1586 8.8024 121.6429 61.4970 39.3985 176.9570 131 E 3.8465 8.8247 118.5916 59.2200 29.2180 179.3068 132 K 3.9147 8.0249 119.6071 59.2559 32.2511 178.8621 133 A 3.8559 7.8917 121.0112 54.9697 18.2926 179.3961 134 A 3.8672 7.8716 119.6166 55.0940 18.3793 180.1424 135 G 3.4488 7.9897 103.9980 47.9604 0.0000 175.8925 136 A 3.9816 7.6998 122.1980 54.4134 18.4476 178.4983 137 R 3.8298 7.6126 114.0094 56.2044 30.4258 176.9198 138 G 3.8391 7.8538 106.0681 46.6996 0.0000 174.1354 139 L 4.7975 8.2565 117.3594 53.9563 42.5287 179.0253 140 S 4.1784 8.2695 115.8105 60.8651 62.8620 174.8987 141 T 4.3562 7.6782 108.8405 61.4498 69.3007 174.6374 142 E 4.2603 7.7506 121.9710 56.2066 30.3134 176.7004 143 S 4.5245 8.4283 116.2585 58.8366 64.4251 173.2399 144 I 5.0508 8.2846 121.9435 59.4935 40.3250 174.6155 145 L 4.5828 9.0464 128.8303 53.5061 44.5196 175.3107 146 I 4.3747 8.3335 128.1257 58.3923 36.7303 173.4341 147 P 4.2909 0.0000 0.0000 62.5922 31.9804 176.7039 148 R 4.1029 8.4257 120.7731 56.6485 31.1935 174.9914 149 Q 5.0966 8.6109 125.0526 54.9572 30.4751 174.9866 150 S 4.6906 8.9290 116.8910 56.7390 65.7671 174.8251 151 E 4.0735 9.0513 125.1286 58.7575 29.6665 176.4981 152 T 4.6815 7.4891 106.3678 60.0711 72.1284 172.9578 153 C 4.9066 8.6232 121.0338 54.8367 45.3650 173.5594 154 S 4.3178 8.5648 121.8694 58.7620 63.1766 173.7888 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 12 D 8.22 4.48 0.00 2.84 2.82 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 13 V 8.11 3.47 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 0.47 0.00 0.00 0.75 0.00 0.00 14 S 7.79 4.84 0.00 4.24 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 15 G 8.84 3.88 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 0.00 0.00 0.00 16 T 8.00 4.77 4.04 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 0.81 0.00 0.00 17 W 9.24 5.21 0.00 3.10 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 18 Y 9.25 4.88 0.00 3.07 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 19 L 8.78 4.58 0.00 1.61 1.62 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 20 K 9.28 4.49 0.00 1.62 1.85 0.00 1.97 0.00 0.00 1.90 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.53 7.81 21 A 7.46 4.71 0.36 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 22 M 8.14 5.37 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 23 T 8.87 4.83 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 1.31 0.00 0.00 24 V 8.37 4.40 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 0.69 0.00 0.00 0.98 0.00 0.00 25 D 8.70 4.62 0.00 2.69 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 26 R 8.64 4.24 0.00 1.97 1.99 0.00 3.22 0.00 0.00 3.37 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 27 E 9.09 4.11 0.00 2.47 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 2.47 2.70 0.00 28 F 8.16 4.69 0.00 2.90 2.91 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 29 P 0.00 4.78 0.00 2.20 2.12 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 30 E 7.60 4.81 0.00 2.11 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 2.39 2.47 0.00 31 M 8.07 4.49 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 32 N 8.69 4.72 0.00 2.90 2.71 0.00 0.00 6.78 6.61 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 33 L 8.58 4.11 0.00 1.66 1.59 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 34 E 9.24 4.36 0.00 1.97 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 2.31 2.44 0.00 35 S 7.70 4.93 0.00 3.86 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 36 V 8.60 4.99 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 0.77 0.00 0.00 0.91 0.00 0.00 37 T 8.64 5.74 4.23 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 1.26 0.00 0.00 38 P 0.00 4.16 0.00 1.84 1.78 0.00 3.76 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 1.92 1.95 0.00 39 M 8.87 4.70 0.00 2.15 1.87 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 40 T 9.09 4.90 4.21 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 1.19 0.00 0.00 41 L 9.44 5.02 0.00 1.89 1.78 0.85 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.74 4.83 4.23 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 1.21 0.00 0.00 43 T 8.31 4.43 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 1.23 0.00 0.00 44 L 7.81 3.91 0.00 1.80 1.70 0.92 0.99 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 *48 N 7.80 5.01 0.00 2.71 2.83 0.00 0.00 6.69 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 9.45 5.01 0.00 1.35 1.38 0.54 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.00 5.07 0.00 2.04 1.80 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 2.18 2.20 0.00 51 A 8.90 5.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.82 5.07 0.00 1.71 1.57 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.46 7.81 53 V 8.59 4.62 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 0.49 0.00 0.00 0.91 0.00 0.00 54 T 8.45 4.99 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 1.22 0.00 0.00 55 M 9.05 5.06 0.00 1.84 1.88 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 56 L 8.99 4.64 0.00 1.75 1.78 0.96 0.99 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 57 I 8.52 4.73 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.90 0.88 0.00 0.00 58 S 9.41 4.09 0.00 3.96 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 59 G 8.62 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 60 R 7.53 4.47 0.00 1.85 1.77 0.00 3.09 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 61 C 8.64 4.93 0.00 2.89 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 62 Q 9.09 4.56 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 63 E 8.79 4.54 0.00 1.83 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 64 V 8.92 4.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.91 0.00 0.00 65 K 8.35 5.10 0.00 1.71 1.58 0.00 1.93 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.54 7.81 66 A 9.22 4.81 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 67 V 8.42 4.49 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 0.77 0.00 0.00 0.94 0.00 0.00 68 L 9.70 4.64 0.00 1.41 1.49 0.72 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 69 E 9.18 4.85 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.12 0.00 70 K 8.80 3.74 0.00 1.69 1.63 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.24 1.12 7.81 71 T 7.52 4.70 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 1.12 0.00 0.00 72 D 8.81 4.31 0.00 2.66 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 73 E 7.57 4.41 0.00 2.07 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 74 P 0.00 4.38 0.00 2.10 2.01 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 75 G 9.07 4.13 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 0.00 0.00 0.00 76 K 7.57 4.75 0.00 1.83 1.76 0.00 2.04 0.00 0.00 1.67 0.00 0.00 2.62 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.07 0.55 7.81 77 Y 9.01 4.96 0.00 2.73 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 78 T 8.66 5.21 4.20 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 1.24 0.00 0.00 79 A 8.94 4.87 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 80 D 9.38 4.16 0.00 2.93 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.79 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 0.00 0.00 0.00 0.00 82 G 8.07 4.40 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 0.00 83 K 7.77 4.17 0.00 2.05 1.80 0.00 2.24 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.66 7.81 84 H 8.16 5.06 0.00 3.14 3.11 0.00 5.56 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.97 4.81 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 0.86 0.00 0.00 0.91 0.00 0.00 86 A 9.00 4.83 0.78 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 0.00 0.00 87 Y 8.75 5.08 0.00 3.00 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 88 I 9.12 5.02 1.93 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 1.33 0.46 0.92 0.00 0.00 89 I 8.42 4.75 1.92 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 1.31 0.76 0.99 0.00 0.00 90 R 8.61 3.49 0.00 1.65 1.73 0.00 3.27 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.42 0.00 91 S 8.06 4.57 0.00 3.92 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 92 H 8.53 4.22 0.00 3.24 3.33 0.00 5.81 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.50 4.06 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 0.90 0.00 0.00 0.95 0.00 0.00 94 K 8.62 3.84 0.00 1.77 1.76 0.00 1.96 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.53 7.81 95 D 9.08 4.81 0.00 2.99 2.77 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 96 H 7.93 5.77 0.00 3.39 3.25 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 9.22 5.10 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.85 5.07 1.98 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.26 1.04 0.00 0.00 99 F 9.82 5.33 0.00 3.13 2.98 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 0.00 100 Y 8.34 5.51 0.00 3.10 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 S 7.54 4.62 0.00 3.91 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 0.00 102 E 8.58 4.97 0.00 1.87 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 2.28 2.20 0.00 103 G 8.35 3.80 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 0.00 0.00 0.00 104 E 8.62 5.27 0.00 1.90 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 0.00 2.20 2.22 0.00 105 L 9.02 4.57 0.00 1.65 1.72 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 106 H 10.34 4.29 0.00 3.51 3.42 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.71 4.35 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 0.00 108 K 7.54 4.25 0.00 1.83 1.68 0.00 1.05 0.00 0.00 1.34 0.00 0.00 2.80 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.29 7.81 109 P 0.00 5.01 0.00 1.98 2.01 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 110 V 9.08 4.84 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 0.96 0.00 0.00 1.00 0.00 0.00 111 R 7.79 5.49 0.00 1.89 1.88 0.00 3.34 0.00 0.00 3.21 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 112 G 8.21 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 0.00 0.00 0.00 0.00 113 V 8.45 5.33 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 1.01 0.00 0.00 1.05 0.00 0.00 114 K 9.91 5.36 0.00 1.75 1.66 0.00 1.30 0.00 0.00 1.44 0.00 0.00 2.70 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.41 1.50 7.81 115 L 9.04 5.28 0.00 1.71 1.37 1.15 0.73 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 0.00 116 V 8.34 5.64 2.17 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 0.73 0.00 0.00 0.76 0.00 0.00 117 G 8.79 4.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 3.72 0.00 1.60 1.78 0.00 2.46 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.39 0.00 119 D 7.88 4.74 0.00 2.66 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.11 0.00 1.82 0.82 0.00 3.42 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.37 0.00 121 K 7.13 3.92 0.00 1.72 1.89 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.37 7.81 122 N 8.64 4.28 0.00 2.71 2.74 0.00 0.00 6.69 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 0.00 123 N 8.52 4.84 0.00 2.74 2.66 0.00 0.00 7.22 6.66 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 0.00 124 L 8.44 4.01 0.00 1.73 1.71 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.26 4.04 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 126 A 8.83 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.08 4.04 0.00 1.89 1.88 0.82 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.35 3.99 0.00 2.30 2.17 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 2.33 2.34 0.00 129 D 7.95 4.31 0.00 2.96 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 0.00 130 F 8.80 4.16 0.00 3.20 3.24 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 0.00 131 E 8.82 3.85 0.00 2.38 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 2.51 0.00 132 K 8.02 3.91 0.00 1.82 1.99 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.41 7.81 133 A 7.89 3.86 1.27 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 0.00 134 A 7.87 3.87 1.09 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 0.00 0.00 0.00 135 G 7.99 3.45 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 0.00 136 A 7.70 3.98 1.23 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 0.00 137 R 7.61 3.83 0.00 1.77 1.64 0.00 2.21 0.00 0.00 2.64 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.29 0.00 138 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 0.00 139 L 8.26 4.80 0.00 1.71 1.64 1.06 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.27 4.18 0.00 3.96 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 0.00 141 T 7.68 4.36 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 1.22 0.00 0.00 142 E 7.75 4.26 0.00 2.14 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 0.00 2.50 2.48 0.00 143 S 8.43 4.52 0.00 3.83 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 0.00 144 I 8.28 5.05 1.96 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 1.50 0.74 0.97 0.00 0.00 145 L 9.05 4.58 0.00 1.73 1.50 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.33 4.37 1.84 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 1.30 0.68 0.94 0.00 0.00 147 P 0.00 4.29 0.00 2.17 2.06 0.00 3.82 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 2.09 1.95 0.00 148 R 8.43 4.10 0.00 1.92 2.01 0.00 3.16 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 149 Q 8.61 5.10 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.52 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 150 S 8.93 4.69 0.00 3.85 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 E 9.05 4.07 0.00 2.01 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 2.33 2.25 0.00 152 T 7.49 4.68 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 0.00 153 C 8.62 4.91 0.00 2.91 2.98 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 0.00 154 S 8.56 4.32 0.00 3.85 3.69 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 * Residues marked with a * may have inaccurate shift predictions.