NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5230 8.3349 116.8059 58.5724 64.3141 173.3001 1 L 4.3675 8.3593 122.7372 55.0916 43.4308 174.7319 2 I 4.9480 8.4841 119.6088 59.5259 41.5186 174.0110 3 R 4.6754 9.1307 128.0891 54.3130 33.6960 174.1388 4 I 4.7835 8.3369 122.9738 59.3941 40.4896 174.3603 5 G 4.3086 9.1192 115.0396 44.8855 0.0000 170.6845 6 H 5.4606 8.7120 119.4802 54.2744 33.8560 172.2287 7 G 4.4294 9.2148 111.0856 44.7077 0.0000 171.2227 8 F 5.4850 8.6006 123.6458 56.9013 42.0883 172.9894 9 D 4.5270 8.0706 124.2845 52.9555 45.9397 174.2218 10 V 4.4308 7.8197 118.4582 61.4980 35.1522 173.8394 11 H 4.7102 8.9360 126.2717 54.1987 32.1441 172.2622 12 A 4.2098 7.9881 127.9411 50.9820 19.4800 176.8701 13 F 4.6396 8.2514 120.9900 57.7961 39.6867 175.2197 14 G 4.5339 8.7109 108.0324 44.9371 0.0000 171.1959 15 E 5.0578 9.3533 118.4701 54.5194 33.6183 173.9634 16 D 5.5894 8.5873 118.9778 52.9299 44.5377 175.5632 17 R 4.7874 8.7001 120.6427 54.6132 34.0452 172.0865 18 P 5.1048 0.0000 0.0000 62.4163 32.7990 175.1125 19 L 4.8924 9.2222 121.6802 53.0986 46.3957 175.6430 20 I 4.8451 8.3473 121.5809 60.0097 38.5875 175.2679 21 I 4.4189 8.9281 128.9482 60.3658 39.6050 176.4585 22 G 4.0637 9.7172 113.2446 46.6712 0.0000 174.2619 23 G 3.8970 8.5319 104.7502 45.1778 0.0000 174.0483 24 V 4.4657 7.8173 120.0094 60.6007 34.6030 174.1732 25 E 4.7745 8.7627 128.3437 56.1133 30.4786 175.9652 26 V 4.7434 9.0705 119.6521 58.9201 36.4470 172.8090 27 P 4.8609 0.0000 0.0000 62.6266 32.7383 174.6487 28 Y 4.6201 9.4094 124.1880 56.1051 41.4565 173.3430 29 H 5.2710 8.3198 126.5081 54.9785 31.7540 173.7744 30 T 4.3914 9.1548 122.3028 63.1493 71.2488 174.9721 31 G 3.7133 8.7068 111.7048 43.9344 0.0000 172.1634 32 F 4.0188 8.5114 120.4619 57.9465 39.6476 175.3457 33 I 3.4605 7.5277 128.3084 61.3584 37.2845 175.8310 34 A 4.3195 8.1810 128.4856 52.9364 18.8114 177.2599 35 H 4.8635 8.4946 113.5012 55.7175 30.2991 172.8618 36 S 4.5190 7.4818 113.5762 58.6259 64.8325 174.9688 37 D 4.4664 8.8394 118.7332 53.6080 39.2923 177.1224 38 G 3.5811 7.9562 107.6121 46.4496 0.0000 175.2415 39 D 4.5400 8.3378 120.8085 53.8313 39.4776 176.6529 40 V 3.6050 8.0140 126.1802 63.8731 31.8213 178.2381 41 A 3.9083 7.9351 121.2258 55.2528 18.3800 179.5217 42 L 4.0473 8.2088 117.3026 57.7983 41.6148 179.6382 43 H 4.0647 8.1630 115.9365 58.8106 28.7031 177.6024 44 A 4.2091 7.9157 123.9535 54.4478 18.1357 179.4363 45 L 3.8865 7.8214 118.4673 58.6275 42.1933 179.2945 46 T 3.8624 8.1226 115.8607 66.8743 68.2999 176.3785 47 D 4.3581 8.2638 120.5186 57.1503 40.7847 178.7004 48 A 4.2412 8.0092 122.8550 54.4984 18.1921 179.8760 49 I 3.6442 7.9455 118.4062 64.5132 37.2825 178.6424 50 L 4.0874 8.0688 119.9663 57.8012 41.4520 179.8326 51 G 3.6728 8.4994 105.8334 47.7491 0.0000 175.5784 52 A 4.2548 8.0810 123.3576 54.0366 18.4857 178.6687 53 A 4.0093 7.4444 115.9810 51.1158 19.1464 176.8779 54 A 3.6702 7.5870 119.3412 53.5871 16.5584 178.0630 55 L 4.5976 8.4448 117.0387 55.8404 43.7090 179.5930 56 G 3.7886 10.0168 113.2964 45.9598 0.0000 175.9067 57 D 4.5425 8.7869 122.9967 51.9409 42.6713 176.2137 58 I 3.5505 9.0399 119.8588 64.0925 37.7840 177.8240 59 G 3.7399 8.7117 108.5632 47.5951 0.0000 174.0417 60 K 4.4602 8.0677 118.3455 56.0670 32.5457 178.2322 61 L 3.6020 7.8157 120.6939 56.9720 41.5703 177.3543 62 F 4.8853 7.3828 114.4388 55.2978 41.4636 172.7342 63 P 4.4102 0.0000 0.0000 63.7285 30.5443 176.6286 *71 N 4.6396 8.1091 114.6559 53.5789 40.3109 173.7175 72 A 4.4918 7.9174 117.6823 54.0921 20.5127 176.9980 73 D 4.6793 7.8792 116.2774 54.1578 41.8287 177.0277 74 S 4.2439 9.6941 124.3239 61.8005 62.7323 176.7343 75 R 3.9627 8.3847 120.4550 59.3604 29.7109 179.1077 76 G 3.6560 8.1903 104.8965 47.8872 0.0000 175.8126 77 L 4.0606 7.6223 120.6596 57.1570 41.5331 179.3325 78 L 3.9284 8.6636 120.7775 58.2357 42.0715 179.1523 79 R 4.0010 8.2516 118.1466 59.3427 30.0852 178.3386 80 E 3.8826 8.3694 118.8326 59.6309 29.6276 178.9066 81 A 3.9671 8.1924 120.5428 55.0875 18.3443 179.4154 82 F 4.2166 8.4475 119.4511 61.1977 39.5277 177.3328 83 R 3.6771 8.6812 118.8132 59.6568 29.5532 178.6389 84 Q 4.8248 8.0023 118.7661 58.1403 28.5981 178.8027 85 V 3.6162 7.4744 119.5514 65.8017 31.5197 178.0678 86 Q 4.1288 7.7372 119.3094 58.4432 28.4951 178.3307 87 E 3.9639 7.9349 119.3343 59.2673 29.2224 178.6833 88 K 4.2440 7.2957 115.5213 55.9824 32.3746 177.5380 89 G 3.6755 8.4601 108.1840 45.6395 0.0000 172.7943 90 Y 5.2146 7.5126 117.0827 56.5126 40.2634 174.5645 91 K 4.9508 9.3156 122.6703 54.6780 36.6776 174.9053 92 I 4.1815 8.6238 123.7671 61.2208 37.5582 175.9252 93 G 4.0044 9.4739 115.1012 46.7439 0.0000 173.1276 94 N 4.9742 7.4014 115.6046 51.4282 40.5826 172.9667 95 V 4.9148 8.8872 113.4610 59.6421 36.1112 174.1186 96 D 5.2847 8.9910 123.4295 52.5432 44.1281 174.3208 97 I 4.9889 8.9079 126.5929 59.7717 40.8719 174.6527 98 T 4.8244 9.2637 123.6593 61.8346 70.9671 173.3621 99 I 4.2875 8.7022 129.3692 60.7014 38.6561 175.7013 100 I 4.7286 8.6108 129.5003 60.0289 37.5572 174.6681 101 A 4.8568 8.6938 127.8114 49.7720 22.3571 176.4046 102 Q 4.2432 8.4178 122.6767 54.2615 27.6944 174.4191 103 A 4.8137 7.3809 121.6041 50.1425 23.1339 173.7888 104 P 4.7189 0.0000 0.0000 65.0185 33.2284 177.4945 105 K 4.2211 7.7359 121.3126 54.2770 28.7349 177.4677 *107 R 4.4561 8.0378 124.9997 55.6192 32.0752 175.9625 108 P 4.2524 0.0000 0.0000 65.6852 31.5400 176.9749 109 H 4.6421 7.9546 112.8485 56.1986 29.3186 176.9309 110 I 3.8259 7.4066 120.3313 64.6456 37.3493 177.2415 111 D 4.4262 8.2361 119.2446 57.4102 41.0901 179.0914 112 A 4.0955 7.6458 117.5876 53.0050 18.1083 179.3143 *114 R 4.1685 8.2051 119.1115 57.8314 32.2801 177.7390 115 A 3.9376 8.0548 119.3266 55.4927 18.3279 179.8938 116 K 3.9144 7.9029 116.0380 59.6226 32.0680 179.7006 117 I 3.7839 7.5992 119.5074 64.0086 37.1922 177.9916 118 A 3.9272 8.4412 122.1398 54.9351 18.2351 179.3673 119 E 3.8115 8.2485 117.8454 59.6382 29.6029 178.8389 120 D 4.4547 7.7705 116.6272 56.1039 40.9067 177.6017 121 L 3.3114 7.1923 117.2519 52.6796 42.3516 175.9820 122 Q 3.2641 7.3104 116.5908 57.1347 26.9681 172.5414 123 C 4.9126 7.6164 111.0352 56.1748 33.0896 172.4065 124 D 4.6580 9.0397 118.7988 53.0992 41.9361 177.1910 125 I 3.8924 8.2893 124.5405 63.8906 38.0343 176.8541 126 E 4.2200 8.3857 118.9132 57.5632 29.6814 176.5136 127 Q 4.5500 8.5747 116.7692 56.3741 30.3055 174.8822 128 V 4.7733 7.7174 119.6024 60.9902 33.8568 174.0641 129 N 5.0648 9.3515 127.1362 51.7394 41.6997 173.2720 130 V 4.9199 8.3881 124.8815 61.0604 34.2687 174.3149 131 K 4.8874 9.2720 126.2940 54.9764 36.4495 174.7496 132 A 5.1652 8.4467 121.3290 50.6142 21.9926 175.1080 133 T 4.8344 9.1313 115.8941 60.7583 71.8698 172.0589 134 T 4.9883 8.3657 113.5134 59.7713 72.4796 173.5103 135 T 4.3023 8.3199 108.9451 60.7462 69.4195 174.6286 136 E 3.5934 8.6844 119.0592 58.1503 27.1832 175.5134 137 K 4.0782 8.4481 113.2803 56.8614 31.3269 176.5986 138 L 4.4533 7.5122 119.5127 53.7483 43.7474 177.5098 139 G 4.2747 8.4264 110.6662 44.6642 0.0000 174.5454 140 F 4.4396 8.3024 113.2011 60.0137 37.6165 177.4269 141 T 4.4896 6.5634 111.4966 63.7549 68.6346 176.9717 142 G 4.0005 7.0757 107.5651 46.9090 0.0000 175.0085 143 R 4.3222 8.0006 117.3352 55.1502 30.5535 176.2544 144 Q 3.7430 7.9236 116.7293 57.2805 26.9026 174.3367 145 E 4.4696 8.7060 117.5616 56.7873 30.5118 176.6336 146 G 3.0320 6.9547 105.8580 44.9471 0.0000 171.4043 147 I 4.7509 7.2590 111.1462 59.0917 41.3758 174.3737 148 A 5.3001 8.3600 124.9576 50.7277 23.2331 174.2627 149 C 5.0689 8.0739 115.1784 58.7435 35.7095 172.2120 150 E 5.3466 9.3627 127.3485 54.5428 32.0366 174.3853 151 A 5.2224 9.1759 127.1562 50.5185 23.3372 175.2655 152 V 5.0227 8.7886 112.4994 59.6364 36.1084 174.7313 153 A 5.1697 9.0699 124.3979 50.1341 23.2829 174.6594 154 L 5.0097 8.6228 121.6063 53.3627 44.7754 175.3849 155 L 5.1796 9.1084 126.6863 53.4427 44.3982 175.7447 156 I 5.1857 9.0568 122.1162 59.2471 41.5662 175.1102 157 R 4.2864 8.4533 125.4268 57.0376 30.5385 176.5992 158 Q 4.2469 9.0979 124.9080 56.2215 28.6883 175.1766 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 0 S 8.33 4.52 0.00 4.11 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 1 L 8.36 4.37 0.00 1.71 1.73 0.93 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.48 4.95 1.90 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 1.35 0.78 0.93 0.00 0.00 3 R 9.13 4.68 0.00 1.38 1.70 0.00 3.29 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.99 0.00 4 I 8.34 4.78 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 1.28 1.44 0.90 0.00 0.00 5 G 9.12 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.71 5.46 0.00 3.17 3.07 0.00 5.62 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 7 G 9.21 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.60 5.49 0.00 3.04 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 9 D 8.07 4.53 0.00 2.45 2.32 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 10 V 7.82 4.43 1.82 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 0.47 0.00 0.00 0.82 0.00 0.00 11 H 8.94 4.71 0.00 3.15 3.01 0.00 5.82 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 12 A 7.99 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.25 4.64 0.00 3.00 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 14 G 8.71 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.35 5.06 0.00 1.95 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 2.19 2.43 0.00 16 D 8.59 5.59 0.00 2.59 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 17 R 8.70 4.79 0.00 1.91 1.80 0.00 3.10 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 18 P 0.00 5.10 0.00 2.13 2.05 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 19 L 9.22 4.89 0.00 1.54 1.52 0.71 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.35 4.85 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 1.35 0.57 0.91 0.00 0.00 21 I 8.93 4.42 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.08 0.92 0.00 0.00 22 G 9.72 4.06 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 0.00 23 G 8.53 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 24 V 7.82 4.47 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 0.94 0.00 0.00 0.96 0.00 0.00 25 E 8.76 4.77 0.00 2.03 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 2.30 2.35 0.00 26 V 9.07 4.74 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 0.74 0.00 0.00 0.99 0.00 0.00 27 P 0.00 4.86 0.00 2.10 2.07 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 28 Y 9.41 4.62 0.00 2.98 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 29 H 8.32 5.27 0.00 3.15 3.00 0.00 5.93 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 9.15 4.39 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 1.32 0.00 0.00 31 G 8.71 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 32 F 8.51 4.02 0.00 2.95 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 33 I 7.53 3.46 1.40 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.66 0.73 0.00 0.00 34 A 8.18 4.32 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 35 H 8.49 4.86 0.00 3.24 3.31 0.00 5.59 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.48 4.52 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 37 D 8.84 4.47 0.00 2.78 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 38 G 7.96 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.34 4.54 0.00 2.82 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.01 3.60 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 0.78 0.00 0.00 0.82 0.00 0.00 41 A 7.94 3.91 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 42 L 8.21 4.05 0.00 1.76 1.74 0.99 1.17 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 43 H 8.16 4.06 0.00 3.42 3.49 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.92 4.21 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 45 L 7.82 3.89 0.00 1.88 1.82 0.91 0.59 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 46 T 8.12 3.86 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 1.16 0.00 0.00 47 D 8.26 4.36 0.00 2.86 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 48 A 8.01 4.24 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.95 3.64 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.82 0.99 0.00 0.00 50 L 8.07 4.09 0.00 1.68 1.69 0.89 0.83 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 51 G 8.50 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 0.00 0.00 0.00 52 A 8.08 4.25 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 53 A 7.44 4.01 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 54 A 7.59 3.67 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 55 L 8.44 4.60 0.00 1.67 1.66 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 56 G 10.02 3.79 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 0.00 0.00 0.00 57 D 8.79 4.54 0.00 3.09 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 58 I 9.04 3.55 1.79 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.23 0.87 0.00 0.00 59 G 8.71 3.74 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 60 K 8.07 4.46 0.00 1.88 1.79 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.25 7.81 61 L 7.82 3.60 0.00 1.48 1.00 0.86 0.38 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 62 F 7.38 4.89 0.00 3.09 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 63 P 0.00 4.41 0.00 2.21 2.17 0.00 3.99 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 2.07 2.00 0.00 *71 N 8.11 4.64 0.00 2.53 2.85 0.00 0.00 6.95 7.96 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 72 A 7.92 4.49 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 73 D 7.88 4.68 0.00 2.78 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 74 S 9.69 4.24 0.00 3.90 3.96 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 75 R 8.38 3.96 0.00 2.08 2.01 0.00 3.13 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 76 G 8.19 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.62 4.06 0.00 1.92 1.70 0.94 0.64 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 78 L 8.66 3.93 0.00 1.72 1.87 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.25 4.00 0.00 2.06 2.06 0.00 3.25 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.00 0.00 80 E 8.37 3.88 0.00 2.09 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 0.00 1.59 2.13 0.00 81 A 8.19 3.97 1.38 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 82 F 8.45 4.22 0.00 3.06 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 83 R 8.68 3.68 0.00 2.00 2.05 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 84 Q 8.00 4.82 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.60 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 85 V 7.47 3.62 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.00 0.00 0.00 86 Q 7.74 4.13 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.50 0.00 0.00 0.00 0.00 0.00 1.37 1.57 0.00 87 E 7.93 3.96 0.00 2.19 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 2.29 2.48 0.00 88 K 7.30 4.24 0.00 1.68 1.81 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.18 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.62 7.81 89 G 8.46 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 7.51 5.21 0.00 3.23 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 91 K 9.32 4.95 0.00 1.93 1.87 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.61 7.81 92 I 8.62 4.18 1.90 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 1.25 0.58 0.93 0.00 0.00 93 G 9.47 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 7.40 4.97 0.00 2.82 2.87 0.00 0.00 5.80 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 95 V 8.89 4.91 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 0.66 0.00 0.00 0.91 0.00 0.00 96 D 8.99 5.28 0.00 2.72 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.91 4.99 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.66 0.91 0.00 0.00 98 T 9.26 4.82 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 1.23 0.00 0.00 99 I 8.70 4.29 1.88 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 1.23 0.75 0.93 0.00 0.00 100 I 8.61 4.73 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.95 0.86 0.00 0.00 101 A 8.69 4.86 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 0.00 102 Q 8.42 4.24 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 103 A 7.38 4.81 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 0.00 104 P 0.00 4.72 0.00 2.15 2.13 0.00 3.79 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 1.87 1.91 0.00 105 K 7.74 4.22 0.00 1.80 1.69 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *107 R 8.04 4.46 0.00 1.90 1.97 0.00 3.20 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 108 P 0.00 4.25 0.00 1.84 2.00 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 109 H 7.95 4.64 0.00 3.20 3.31 0.00 5.64 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 0.00 110 I 7.41 3.83 1.87 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 1.35 0.74 0.97 0.00 0.00 111 D 8.24 4.43 0.00 2.74 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 0.00 112 A 7.65 4.10 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 *114 R 8.21 4.17 0.00 2.04 2.01 0.00 3.15 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 115 A 8.05 3.94 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 0.00 116 K 7.90 3.91 0.00 1.83 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.65 7.81 117 I 7.60 3.78 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.81 0.86 0.00 0.00 118 A 8.44 3.93 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 0.00 119 E 8.25 3.81 0.00 2.03 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 0.00 2.29 2.33 0.00 120 D 7.77 4.45 0.00 2.62 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 0.00 121 L 7.19 3.31 0.00 1.45 1.25 0.84 0.78 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 0.00 122 Q 7.31 3.26 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.64 0.00 0.00 0.00 0.00 0.00 2.31 2.15 0.00 123 C 7.62 4.91 0.00 3.32 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 0.00 124 D 9.04 4.66 0.00 2.72 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 0.00 125 I 8.29 3.89 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.17 0.90 0.00 0.00 126 E 8.39 4.22 0.00 2.05 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 2.32 2.42 0.00 127 Q 8.57 4.55 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.52 0.00 0.00 0.00 0.00 0.00 2.42 2.28 0.00 128 V 7.72 4.77 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 0.72 0.00 0.00 0.89 0.00 0.00 129 N 9.35 5.06 0.00 2.81 2.78 0.00 0.00 6.13 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 0.00 130 V 8.39 4.92 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 0.90 0.00 0.00 0.93 0.00 0.00 131 K 9.27 4.89 0.00 1.81 1.85 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.51 1.36 7.81 132 A 8.45 5.17 1.21 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 0.00 0.00 133 T 9.13 4.83 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 0.00 134 T 8.37 4.99 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 135 T 8.32 4.30 4.17 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 1.10 0.00 0.00 136 E 8.68 3.59 0.00 2.11 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 2.25 2.24 0.00 137 K 8.45 4.08 0.00 1.94 1.96 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.54 7.81 138 L 7.51 4.45 0.00 1.77 1.54 0.91 0.88 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 0.00 139 G 8.43 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 0.00 140 F 8.30 4.44 0.00 3.35 3.32 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 0.00 141 T 6.56 4.49 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 0.95 0.00 0.00 142 G 7.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.00 4.32 0.00 1.88 2.03 0.00 3.36 0.00 0.00 3.26 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 144 Q 7.92 3.74 0.00 2.32 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 145 E 8.71 4.47 0.00 2.18 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 2.37 2.36 0.00 146 G 6.95 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 0.00 0.00 0.00 147 I 7.26 4.75 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.64 1.06 0.00 0.00 148 A 8.36 5.30 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 0.00 149 C 8.07 5.07 0.00 2.94 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 0.00 150 E 9.36 5.35 0.00 2.26 1.82 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 2.25 2.32 0.00 151 A 9.18 5.22 1.21 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 0.00 0.00 152 V 8.79 5.02 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 0.83 0.00 0.00 1.00 0.00 0.00 153 A 9.07 5.17 1.17 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 0.00 0.00 154 L 8.62 5.01 0.00 1.76 1.50 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 155 L 9.11 5.18 0.00 1.25 1.38 0.57 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 156 I 9.06 5.19 1.94 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 1.28 0.73 1.00 0.00 0.00 157 R 8.45 4.29 0.00 1.66 1.87 0.00 3.18 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 158 Q 9.10 4.25 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.