NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.4342 8.4345 117.1005 58.2850 62.8760 173.1028 *0 H 4.5999 8.3278 123.2158 52.2633 29.1175 169.7495 2 E 4.7554 8.4143 121.6522 53.8386 34.8689 174.8571 3 L 3.9017 8.6019 122.0515 58.7048 41.9380 178.1904 4 Y 3.9565 8.0691 116.0619 61.1333 37.7858 178.6356 5 E 4.0237 8.3247 120.0721 59.3967 29.7321 178.6598 6 C 4.1777 8.3859 117.2656 62.6101 28.1643 176.0301 7 I 3.8856 7.7442 123.4090 65.1778 36.3906 178.9488 8 Q 3.9600 7.9611 121.4044 60.3311 27.7561 179.9385 9 D 4.5639 7.8744 118.6019 56.0530 41.2267 177.1362 10 I 4.0951 7.3386 118.1385 62.6792 38.7807 177.2446 11 F 4.5954 8.6575 117.6277 58.5467 38.9575 178.4609 12 G 3.7201 7.8760 107.4047 48.0940 0.0000 174.6003 13 G 4.0015 7.9308 105.9138 44.9922 0.0000 173.5639 14 L 4.1566 7.4602 120.2366 54.2012 42.1566 176.5780 15 K 4.5302 8.1802 122.8359 55.7018 34.9216 175.9461 16 N 4.1824 9.1567 126.1852 53.7682 36.5035 172.6261 17 P 4.5884 0.0000 0.0000 62.5625 32.9635 176.5372 18 S 4.7175 9.6255 115.8248 56.6035 65.1956 175.5722 19 V 3.6143 8.3199 113.9578 64.1248 31.5923 178.7619 20 K 4.1785 7.9742 118.1698 59.0027 33.6542 178.8253 21 D 4.3198 7.9431 120.2636 57.2996 40.6597 178.6100 22 L 4.3726 8.5386 120.9234 57.2405 41.6289 179.4470 23 A 4.0406 7.8812 120.6557 55.3772 18.1231 179.8026 24 T 3.9557 7.9117 107.5082 64.5891 69.2212 176.8431 25 S 4.0461 7.9740 117.2486 61.0077 63.1774 176.5008 26 L 4.2813 8.0739 122.7424 57.5819 41.2250 179.1737 27 K 4.2478 7.7584 115.9410 58.1732 32.0837 178.2622 28 Q 4.2884 7.4675 116.8067 55.2665 29.2114 175.5771 29 I 4.0380 7.0456 122.0613 59.7512 37.9345 173.8791 30 P 4.2360 0.0000 0.0000 63.0780 31.7842 176.5597 31 N 4.0562 8.9929 123.8253 52.7002 36.3840 175.1621 32 A 3.9416 7.9242 121.1028 56.2877 18.6990 178.9569 33 A 3.9494 8.0600 118.6081 55.4533 18.1980 179.6710 34 K 4.0348 8.0092 116.6880 59.5997 32.3942 178.8055 35 L 4.1873 7.8567 117.8389 57.7601 41.7979 179.1376 36 S 4.3827 8.5927 115.6883 60.8617 62.9560 175.0185 37 Q 4.4373 7.1841 118.1806 55.3364 29.5037 175.2143 38 P 4.5968 0.0000 0.0000 61.8649 29.9807 174.7971 39 Y 4.6828 8.3659 115.4044 58.2706 39.7771 176.9145 40 I 4.0195 7.6210 121.6245 61.1087 38.0568 175.2825 41 K 4.7524 8.3332 122.5297 54.4691 35.9567 175.4054 42 E 4.5561 8.4265 119.5717 54.6750 30.5152 175.0517 43 P 4.3406 0.0000 0.0000 62.5890 31.8877 173.9588 44 D 4.5023 8.3303 122.5991 55.1939 42.6931 177.0907 45 Q 3.8585 5.9874 118.0324 58.6084 29.6329 176.4788 46 Y 4.5114 7.0424 113.6731 56.4646 39.4391 175.0195 47 A 4.3077 8.5784 122.4943 53.9944 18.9749 176.7651 48 Y 5.0759 7.3953 113.5047 54.6542 42.1236 175.1400 49 G 4.3593 9.3068 108.6999 45.7534 0.0000 172.6950 50 R 5.2213 8.5350 124.3775 54.6090 33.3512 173.6599 51 N 4.9887 9.5154 124.7646 51.5980 42.0410 173.0290 52 A 4.6656 8.8401 129.3801 52.0473 18.7401 176.6737 53 I 4.6890 8.7353 114.6253 60.6165 39.3174 174.7437 54 Y 4.9152 7.4933 122.6961 57.1874 42.1294 173.1048 55 R 4.7383 6.8172 120.8643 55.9521 33.1109 174.0621 56 N 4.6443 8.3871 120.2852 52.4539 39.2369 173.5745 57 N 4.5330 8.7138 113.4628 54.9385 38.6434 175.9693 58 E 4.1542 8.1956 120.5041 58.0746 30.3529 175.4088 59 L 5.5710 7.5193 116.1807 54.1756 45.1633 173.7356 60 E 5.1798 9.3639 118.9709 54.6858 33.3574 173.7200 61 I 5.0858 8.7614 127.5344 59.4599 39.9161 174.6481 62 I 5.0698 8.6188 119.9646 59.0646 41.3739 174.3183 63 V 4.7136 8.8928 124.3136 61.5950 33.2378 174.5039 64 I 5.1723 9.1678 128.7610 59.5465 40.7868 174.3308 65 N 4.9811 9.6097 124.2994 52.2155 41.7060 173.3457 66 I 4.8540 8.4051 128.7390 58.6220 37.9502 174.1760 67 P 4.3884 0.0000 0.0000 61.5485 31.6842 174.2030 68 P 4.1065 0.0000 0.0000 64.8330 31.2133 175.7235 69 N 4.3337 9.1270 119.8952 54.6717 36.4282 174.2186 70 K 4.7947 7.6774 114.2269 54.6841 36.0454 175.5702 71 E 4.8239 8.3253 117.7358 55.0539 32.6371 174.9021 72 T 4.2234 7.8850 110.1269 60.6716 70.8801 173.5824 73 T 4.3652 7.9644 112.2865 61.0321 71.1376 173.8332 74 V 4.2367 8.0653 121.3851 62.1744 32.7393 174.4593 75 H 5.8177 9.2913 122.4764 55.1605 32.4498 171.6056 76 D 5.5147 8.6153 117.5122 50.3858 42.6734 175.6837 77 H 4.8588 8.1516 114.7773 55.2181 30.3761 178.3402 78 G 4.0462 9.3000 113.1148 46.5388 0.0000 174.3079 79 Q 4.5467 9.2926 119.2848 54.8419 31.7192 174.6455 80 S 5.0302 8.2092 114.9925 56.7099 65.0726 174.4055 81 I 4.3841 8.6666 118.0301 60.9383 39.3616 174.7430 82 G 4.8715 8.5964 108.4014 44.9988 0.0000 171.2758 83 C 5.3594 8.1738 119.6328 57.8102 35.5315 172.6732 84 A 5.0724 8.5599 125.7397 50.0469 22.6061 174.7316 *86 V 4.2333 8.2505 112.3530 62.5855 32.5322 176.8624 87 L 4.3118 9.6896 126.8200 56.7971 42.5391 177.6624 88 E 5.0235 7.5046 114.2525 55.8292 32.2883 173.4013 89 G 3.7548 8.3424 109.0351 44.3867 0.0000 171.9978 90 K 4.7353 8.2328 119.9547 55.3161 35.0765 175.9383 91 L 5.0612 8.7892 126.7636 53.8612 44.3544 174.8575 92 L 4.5957 8.2877 122.4163 53.4835 43.5861 174.9899 93 N 4.7579 8.7190 126.2650 52.1238 40.7424 173.3874 94 S 4.9476 8.9681 123.6623 57.1395 64.9831 173.6801 95 I 4.8037 8.7238 126.0345 60.6208 38.7989 174.4806 96 Y 4.9362 9.0605 125.5176 56.8565 41.0324 175.9100 97 R 4.5961 9.3198 125.7243 55.9145 31.8449 176.8271 98 S 4.1793 8.6382 124.5354 58.3117 62.8950 174.6406 99 T 4.7312 8.1919 119.4249 58.8034 70.3808 170.1604 100 G 4.2032 8.1572 118.5877 45.6264 0.0000 176.1190 101 E 4.5852 9.2715 122.1642 55.5326 30.9274 174.1335 102 H 5.7189 8.2172 113.1496 54.3609 32.4830 172.7163 103 A 4.7437 8.5384 120.9174 51.7189 22.5227 175.9161 104 E 4.8813 8.5476 119.2245 54.5307 32.5302 174.4066 105 L 3.5614 8.3864 124.8082 55.0284 42.2027 176.3977 106 S 4.5958 8.8284 120.5948 59.5275 65.3878 173.2020 107 N 5.0343 7.4957 116.7634 52.6878 42.6345 172.9781 108 S 5.0288 8.2971 113.2502 57.8916 65.4904 173.7393 109 Y 4.5501 7.6468 119.0286 56.7724 41.5145 172.7882 110 F 5.4473 8.9573 118.3664 55.9910 41.9086 175.9677 111 V 4.7754 8.6547 119.9830 60.6846 34.5015 174.7641 112 H 5.2952 10.5049 122.8896 53.3312 32.0807 173.7587 113 E 4.2070 8.7205 117.9756 58.5783 29.5619 179.2569 114 G 4.0103 8.8786 110.4916 45.6477 0.0000 173.4357 115 E 4.6134 8.0851 118.7908 55.0611 31.3134 174.7537 116 C 5.7276 8.6003 117.0739 57.1104 31.7715 173.1799 117 L 4.9670 8.1225 120.2274 54.2153 42.8918 175.3825 118 I 4.5171 8.4678 122.7288 59.9820 38.9034 175.9355 119 S 4.6809 8.5531 119.2108 56.1497 62.1120 172.9808 120 T 4.2188 8.0342 120.5461 62.8601 70.2189 173.9714 121 K 4.0632 8.5686 123.8969 58.1252 32.5835 177.0937 122 G 4.1308 8.9271 113.8545 45.5779 0.0000 173.7012 123 L 4.0407 7.4968 121.6467 55.7698 43.3051 175.9306 124 I 5.0123 8.3551 125.9771 59.8909 40.1193 174.3392 125 H 5.4599 9.1336 121.7172 55.0317 32.8921 170.8770 126 K 4.8407 8.5536 117.4999 55.5986 35.6970 174.6195 *128 S 4.5618 8.5332 112.9743 58.6675 65.2121 172.4070 129 N 4.9575 8.6673 118.0428 51.1467 39.8468 172.8236 130 P 4.4601 0.0000 0.0000 64.7839 32.0491 177.1763 131 T 4.1888 7.4595 109.1179 61.4283 69.3586 174.1815 132 S 4.5314 8.4168 114.1475 58.2951 63.5271 173.3430 133 E 4.8104 7.6052 120.0489 54.3216 32.8217 176.9015 134 R 4.3570 8.0214 121.4016 56.2665 29.6960 176.0927 *136 V 4.1909 8.1941 115.4657 63.1000 32.9585 175.3111 137 S 4.8330 9.5381 123.4271 56.5928 67.3975 172.8362 138 L 4.8919 8.5098 124.7942 54.0536 43.8207 174.7744 139 H 5.1847 9.1851 124.2806 54.3015 31.8704 174.4274 140 V 4.7419 7.9629 119.7855 61.5397 34.8905 173.5323 141 Y 5.3761 9.2025 125.4458 56.4241 41.5834 174.8662 142 S 4.8747 9.2841 117.9685 56.4633 65.7608 172.0763 143 P 5.6144 0.0000 0.0000 60.4155 33.0100 174.1185 144 P 4.5689 0.0000 0.0000 62.9130 31.8704 177.0565 145 L 4.0278 8.6235 125.1654 55.3501 42.1723 177.0032 146 E 4.5319 8.8196 117.8452 57.1391 31.8969 173.1628 147 D 4.6311 7.4010 117.4443 52.6908 45.1768 174.0421 *149 T 4.0951 8.2146 109.8220 61.6493 70.1838 172.8970 150 V 4.2697 8.1474 126.4888 62.0755 32.4115 175.2569 151 F 4.5332 9.1536 129.4092 57.0848 41.0810 176.5545 152 E 4.6099 8.2071 118.2427 53.9176 30.5985 175.9969 153 E 4.6058 8.9168 128.9987 56.3698 30.8685 177.1880 154 Q 4.3494 9.3596 123.9626 56.1096 27.7701 177.4606 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 S 8.43 4.43 0.00 3.65 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 *0 H 8.33 4.60 0.00 3.00 2.87 0.00 7.21 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 2 E 8.41 4.76 0.00 1.97 1.89 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 2.32 2.41 0.00 3 L 8.60 3.90 0.00 1.81 1.26 0.61 0.70 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 4 Y 8.07 3.96 0.00 3.39 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 5 E 8.32 4.02 0.00 2.24 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 2.33 2.38 0.00 6 C 8.39 4.18 0.00 3.12 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 7 I 7.74 3.89 1.69 0.00 0.00 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 1.26 0.78 -0.04 0.00 0.00 8 Q 7.96 3.96 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 9 D 7.87 4.56 0.00 2.80 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 10 I 7.34 4.10 1.66 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 1.38 0.79 0.18 0.00 0.00 11 F 8.66 4.60 0.00 3.00 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 12 G 7.88 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 13 G 7.93 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 14 L 7.46 4.16 0.00 1.74 1.66 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.18 4.53 0.00 1.67 1.66 0.00 1.96 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.38 7.81 16 N 9.16 4.18 0.00 2.87 2.83 0.00 0.00 7.11 7.58 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 17 P 0.00 4.59 0.00 2.22 2.08 0.00 3.80 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 2.04 2.03 0.00 18 S 9.63 4.72 0.00 3.95 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 0.00 19 V 8.32 3.61 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 0.94 0.00 0.00 20 K 7.97 4.18 0.00 1.89 2.05 0.00 1.52 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.39 7.81 21 D 7.94 4.32 0.00 2.92 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 22 L 8.54 4.37 0.00 1.86 1.79 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.88 4.04 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 24 T 7.91 3.96 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 1.25 0.00 0.00 25 S 7.97 4.05 0.00 3.04 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 26 L 8.07 4.28 0.00 1.95 1.82 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.76 4.25 0.00 1.86 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.69 7.81 28 Q 7.47 4.29 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.66 0.00 29 I 7.05 4.04 1.98 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.66 0.92 0.00 0.00 30 P 0.00 4.24 0.00 2.04 2.01 0.00 3.81 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 2.02 2.06 0.00 31 N 8.99 4.06 0.00 3.02 3.03 0.00 0.00 6.05 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 32 A 7.92 3.94 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 33 A 8.06 3.95 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 34 K 8.01 4.03 0.00 1.78 2.01 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 35 L 7.86 4.19 0.00 1.81 1.76 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.59 4.38 0.00 4.03 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 37 Q 7.18 4.44 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.30 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 38 P 0.00 4.60 0.00 1.99 1.94 0.00 2.97 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.75 0.00 39 Y 8.37 4.68 0.00 3.12 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 40 I 7.62 4.02 1.90 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 1.47 0.52 0.95 0.00 0.00 41 K 8.33 4.75 0.00 1.81 1.68 0.00 1.81 0.00 0.00 1.94 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.59 7.81 42 E 8.43 4.56 0.00 1.96 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 2.30 2.28 0.00 43 P 0.00 4.34 0.00 2.05 2.19 0.00 3.71 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 44 D 8.33 4.50 0.00 2.56 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 45 Q 5.99 3.86 0.00 1.24 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.57 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 46 Y 7.04 4.51 0.00 2.54 2.16 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 47 A 8.58 4.31 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.40 5.08 0.00 3.22 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 49 G 9.31 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 0.00 0.00 0.00 0.00 50 R 8.53 5.22 0.00 1.77 1.87 0.00 3.20 0.00 0.00 3.41 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 51 N 9.52 4.99 0.00 2.84 2.75 0.00 0.00 6.67 7.76 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 52 A 8.84 4.67 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 53 I 8.74 4.69 1.75 0.00 0.00 0.39 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 0.70 0.96 0.00 0.00 54 Y 7.49 4.92 0.00 3.11 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 55 R 6.82 4.74 0.00 1.65 1.54 0.00 3.23 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.48 0.00 56 N 8.39 4.64 0.00 2.81 2.62 0.00 0.00 6.94 7.40 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 57 N 8.71 4.53 0.00 2.86 2.98 0.00 0.00 5.81 7.66 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 58 E 8.20 4.15 0.00 2.13 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 0.00 2.73 2.42 0.00 59 L 7.52 5.57 0.00 1.89 1.83 1.14 0.74 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 60 E 9.36 5.18 0.00 2.07 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 2.30 2.31 0.00 61 I 8.76 5.09 1.85 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.49 0.72 0.00 0.00 62 I 8.62 5.07 1.96 0.00 0.00 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 1.31 1.37 1.03 0.00 0.00 63 V 8.89 4.71 2.16 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 1.10 0.00 0.00 0.97 0.00 0.00 64 I 9.17 5.17 1.87 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.82 0.97 0.00 0.00 65 N 9.61 4.98 0.00 2.76 2.82 0.00 0.00 6.96 8.24 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 66 I 8.41 4.85 1.87 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.72 0.93 0.00 0.00 67 P 0.00 4.39 0.00 2.25 2.23 0.00 3.86 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 68 P 0.00 4.11 0.00 2.21 2.30 0.00 3.91 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 69 N 9.13 4.33 0.00 2.87 3.00 0.00 0.00 6.82 7.29 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 70 K 7.68 4.79 0.00 1.94 1.72 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.55 7.81 71 E 8.33 4.82 0.00 1.98 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 2.19 2.30 0.00 72 T 7.89 4.22 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 0.45 0.00 0.00 73 T 7.96 4.37 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 1.24 0.00 0.00 74 V 8.07 4.24 1.96 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 -0.05 0.00 0.00 0.60 0.00 0.00 75 H 9.29 5.82 0.00 3.20 3.34 0.00 5.53 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.62 5.51 0.00 2.67 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.15 4.86 0.00 3.57 3.26 0.00 5.96 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 9.30 4.05 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 0.00 79 Q 9.29 4.55 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 80 S 8.21 5.03 0.00 4.09 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 81 I 8.67 4.38 2.00 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 1.43 1.17 0.98 0.00 0.00 82 G 8.60 4.87 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 0.00 0.00 0.00 83 C 8.17 5.36 0.00 2.92 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 84 A 8.56 5.07 0.82 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 0.00 0.00 *86 V 8.25 4.23 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 1.19 0.00 0.00 0.98 0.00 0.00 87 L 9.69 4.31 0.00 1.61 1.78 0.95 0.85 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 88 E 7.50 5.02 0.00 2.04 1.90 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 2.20 2.27 0.00 89 G 8.34 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.23 4.74 0.00 1.67 1.61 0.00 1.50 0.00 0.00 1.60 0.00 0.00 2.13 0.00 0.00 2.20 0.00 0.00 0.00 0.00 1.31 1.13 7.81 91 L 8.79 5.06 0.00 1.94 1.71 0.93 -0.02 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 92 L 8.29 4.60 0.00 1.61 1.46 0.76 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 93 N 8.72 4.76 0.00 2.51 1.74 0.00 0.00 6.68 7.30 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 94 S 8.97 4.95 0.00 3.91 3.56 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 95 I 8.72 4.80 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.32 0.94 0.00 0.00 96 Y 9.06 4.94 0.00 2.79 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 97 R 9.32 4.60 0.00 1.45 1.79 0.00 3.27 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 98 S 8.64 4.18 0.00 3.39 3.70 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 99 T 8.19 4.73 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 0.00 100 G 8.16 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 0.00 0.00 0.00 0.00 101 E 9.27 4.59 0.00 1.88 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.86 0.00 102 H 8.22 5.72 0.00 3.02 3.56 0.00 5.90 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.54 4.74 1.13 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 0.00 104 E 8.55 4.88 0.00 1.63 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 2.16 2.10 0.00 105 L 8.39 3.56 0.00 1.31 1.40 0.31 0.72 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 S 8.83 4.60 0.00 3.78 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 0.00 107 N 7.50 5.03 0.00 2.78 2.70 0.00 0.00 6.78 7.63 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 0.00 108 S 8.30 5.03 0.00 3.64 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 0.00 109 Y 7.65 4.55 0.00 3.12 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 0.00 110 F 8.96 5.45 0.00 3.04 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 0.00 111 V 8.65 4.78 2.25 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 0.81 0.00 0.00 1.06 0.00 0.00 112 H 10.50 5.30 0.00 3.04 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.72 4.21 0.00 2.05 1.93 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 2.59 2.37 0.00 114 G 8.88 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 0.00 0.00 0.00 115 E 8.09 4.61 0.00 2.31 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 2.29 2.28 0.00 116 C 8.60 5.73 0.00 2.93 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 0.00 117 L 8.12 4.97 0.00 1.83 1.81 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.47 4.52 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 1.25 0.88 0.93 0.00 0.00 119 S 8.55 4.68 0.00 3.95 3.65 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 0.00 120 T 8.03 4.22 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 0.00 121 K 8.57 4.06 0.00 1.75 1.75 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.64 7.81 122 G 8.93 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 0.00 123 L 7.50 4.04 0.00 1.89 1.67 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.36 5.01 1.77 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.66 0.58 0.00 0.00 125 H 9.13 5.46 0.00 3.30 3.40 0.00 5.26 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 8.55 4.84 0.00 1.77 1.83 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.61 7.81 *128 S 8.53 4.56 0.00 3.95 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 0.00 129 N 8.67 4.96 0.00 2.84 2.71 0.00 0.00 7.40 7.75 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 0.00 130 P 0.00 4.46 0.00 2.31 2.25 0.00 3.89 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 131 T 7.46 4.19 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 1.28 0.00 0.00 132 S 8.42 4.53 0.00 4.00 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 0.00 133 E 7.61 4.81 0.00 1.95 1.89 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 2.23 2.34 0.00 134 R 8.02 4.36 0.00 1.95 1.86 0.00 3.09 0.00 0.00 3.17 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 *136 V 8.19 4.19 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 1.01 0.00 0.00 0.96 0.00 0.00 137 S 9.54 4.83 0.00 3.81 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 0.00 138 L 8.51 4.89 0.00 1.70 1.50 0.84 0.94 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 0.00 139 H 9.19 5.18 0.00 2.99 2.64 0.00 5.63 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 7.96 4.74 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 1.02 0.00 0.00 0.65 0.00 0.00 141 Y 9.20 5.38 0.00 2.91 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 0.00 142 S 9.28 4.87 0.00 3.89 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 0.00 143 P 0.00 5.61 0.00 2.01 2.04 0.00 3.84 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 144 P 0.00 4.57 0.00 1.94 2.02 0.00 3.71 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 2.16 2.21 0.00 145 L 8.62 4.03 0.00 1.51 1.46 0.29 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.82 4.53 0.00 1.95 1.81 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 2.12 1.85 0.00 147 D 7.40 4.63 0.00 2.62 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 *149 T 8.21 4.10 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 1.12 0.00 0.00 150 V 8.15 4.27 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 0.80 0.00 0.00 0.89 0.00 0.00 151 F 9.15 4.53 0.00 2.84 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 0.00 152 E 8.21 4.61 0.00 1.62 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 2.13 2.08 0.00 153 E 8.92 4.61 0.00 2.03 1.95 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 2.41 2.60 0.00 154 Q 9.36 4.35 0.00 1.80 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.32 0.00 0.00 0.00 0.00 0.00 2.31 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.