NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3418 8.3149 122.1421 54.3401 33.2102 175.7326 3 L 4.1585 7.6968 121.7783 52.5169 42.9376 177.2892 4 S 4.4057 8.6607 118.3623 58.1683 66.3022 174.9536 5 Q 4.2207 8.7330 125.3906 59.6163 28.7650 178.7786 6 D 4.5030 8.1601 124.4802 58.6957 40.1523 183.2523 7 E 4.2081 8.4504 120.3582 61.1906 29.7759 181.0688 8 I 4.1478 8.4771 122.5179 64.0995 38.0526 178.4480 9 D 4.3864 7.9093 122.1298 58.4832 39.6308 182.3834 10 D 4.8287 8.7925 120.0598 56.7131 41.2775 178.1267 11 L 4.0127 7.9092 121.6053 57.6660 42.0765 178.6285 12 K 3.9312 8.1342 118.8907 60.4893 32.0237 178.3011 13 D 4.4360 7.4230 118.0722 57.0823 41.1109 179.2833 14 V 3.8356 7.5687 116.8067 66.0397 31.5807 177.4599 15 F 3.8212 8.4039 122.4334 62.2491 38.8227 177.9944 16 E 4.1135 9.0101 118.0765 61.0516 29.4847 181.5659 17 L 4.1728 8.1806 121.2593 57.4445 41.8641 178.7826 18 F 4.1165 8.1310 116.6122 59.7605 39.3023 176.6847 19 D 4.9410 7.8822 118.5555 57.0996 40.9302 177.7363 20 F 4.1043 8.0445 121.0505 60.6764 39.1022 176.5943 21 W 4.8025 7.7480 116.7452 57.8955 29.4683 176.8910 22 D 4.6184 8.0737 114.0779 53.2961 40.9934 173.7955 23 G 3.4148 9.1610 111.8555 45.2383 0.0000 175.1573 24 R 4.0930 8.0861 125.9892 56.8379 28.5577 174.2251 25 D 4.5347 10.0507 127.8070 51.1845 39.4166 177.3777 26 G 3.9736 8.9097 106.8277 47.1355 0.0000 173.1382 27 A 5.2693 7.9475 120.1362 49.2516 23.3525 175.6730 28 V 4.2913 8.2012 117.7928 61.3895 34.0912 173.3365 29 D 4.7470 8.7142 125.9351 54.8141 41.7353 177.4364 30 A 4.1670 9.1538 128.9091 55.6829 18.5332 179.9939 31 F 4.7975 9.9907 114.2300 58.7511 38.7357 175.7549 32 K 4.2275 8.3464 118.8728 55.4402 34.4746 179.6776 33 L 3.8864 7.3591 117.7876 57.4324 42.5976 178.7380 34 G 3.6757 7.8979 104.5485 46.5904 0.0000 175.0512 35 D 4.3606 8.5089 121.2859 56.5081 40.5924 178.5700 36 V 3.1181 7.2486 117.8731 65.3969 31.8393 177.2837 37 C 4.5564 7.7343 116.7301 62.8301 27.8876 176.2775 38 R 4.3232 8.1102 121.1008 59.0534 29.4743 178.6649 39 C 4.0594 7.4915 114.3783 62.7119 28.1944 175.5796 40 L 4.4530 8.2759 118.5505 55.0476 41.6966 176.2072 41 G 3.5315 8.1283 110.3530 45.6292 0.0000 174.4365 42 I 3.8822 7.8575 121.3214 61.9357 38.1428 175.0104 43 N 5.1872 8.2432 116.0738 51.0707 38.9293 171.7662 44 P 4.2933 0.0000 0.0000 62.7514 32.6884 176.1129 45 R 4.5720 8.0902 117.2353 54.5465 32.6494 175.8912 46 N 3.6298 8.4634 125.5387 56.4499 38.7967 177.3743 47 E 4.3825 8.3655 119.3115 62.0772 29.5983 180.1351 48 D 4.4914 8.1745 119.2265 57.9184 40.8458 179.2949 49 V 3.6075 7.6532 117.2704 66.5218 31.3664 178.4298 50 F 4.6239 9.1219 116.4756 60.2287 38.8326 176.6309 51 A 4.4647 8.4089 118.2316 52.6806 18.6240 177.9773 52 V 4.2575 6.9777 110.1991 61.2973 32.2012 176.5000 53 G 4.0884 8.8071 108.1495 45.4298 0.0000 175.4032 54 G 3.7686 7.9070 111.0502 46.8271 0.0000 173.5583 55 T 4.8405 8.3780 113.1331 59.2764 71.8534 174.2771 56 H 4.7595 8.9526 114.9478 59.2549 29.3693 176.3087 57 K 3.9402 7.5777 117.7499 54.8340 33.4517 175.9353 58 M 4.5158 7.9797 122.1090 58.5681 31.1379 177.0549 59 G 4.2768 9.0399 119.7949 47.2929 0.0000 173.4068 60 E 4.6416 8.2418 114.3762 54.8034 32.1513 178.4561 61 K 4.6089 7.1633 124.2075 56.8743 35.4233 179.2725 62 S 5.2360 8.7950 118.2225 57.3189 66.9669 174.4077 63 L 4.9130 8.6259 118.0286 53.1834 45.1689 174.9727 64 P 4.9381 0.0000 0.0000 61.5343 32.4106 176.9939 65 F 3.3735 8.8550 124.1506 61.6930 38.6637 177.4612 66 E 3.8037 8.4627 116.0322 58.9094 29.2740 177.9095 67 E 4.4184 8.0508 117.2917 57.0618 30.3158 177.2525 68 F 4.2685 8.0096 120.5799 60.7989 39.4655 176.3325 69 L 3.8460 8.4581 120.7462 58.0001 41.7818 177.2192 70 P 4.1528 0.0000 0.0000 65.5653 31.0568 178.2525 71 A 3.8880 7.3062 118.0597 55.3317 18.4351 178.9141 72 Y 3.8999 7.7629 117.9359 60.8750 38.9947 177.4553 73 E 3.8811 8.4292 119.1390 59.3490 29.4936 179.6523 74 G 3.5825 8.0128 105.6127 47.7866 0.0000 175.6852 75 L 4.0551 7.2604 117.5560 55.0248 40.9643 177.8647 76 M 4.1429 7.4320 119.2183 55.6234 33.4112 176.5776 77 D 4.8064 6.9927 117.3062 53.0454 39.9174 174.1920 78 C 4.8252 7.1897 116.5079 57.4779 32.9485 173.6647 79 E 4.1415 8.5500 121.8640 55.9348 30.1031 176.6328 80 Q 4.5748 7.7432 127.8775 60.1838 29.1279 175.6497 81 G 3.2696 6.5236 105.5764 42.6389 0.0000 174.2938 82 T 4.4293 8.1326 114.0971 59.7836 72.0072 175.6958 83 F 4.5145 8.9045 121.8770 61.8513 39.1484 176.6385 84 A 3.8378 8.1489 119.4012 56.0141 17.9548 178.2531 85 D 4.1647 7.4843 115.1144 58.0529 40.9839 178.7694 86 Y 4.0702 7.9786 114.2040 61.6469 38.0086 179.0107 87 M 3.9253 8.8845 119.4059 59.1792 32.4422 178.9909 88 E 3.6505 8.4487 118.0978 59.5564 29.3956 179.5641 89 A 3.9592 8.1019 120.5375 55.0155 18.6318 179.2996 90 F 4.2372 7.7931 115.8005 60.0160 39.0945 177.6677 91 K 4.3522 9.3004 122.1782 59.2554 31.7221 178.7215 92 T 3.7822 7.6696 108.7172 64.7358 68.3911 175.7372 93 F 4.4789 8.0909 119.5949 58.2677 39.2517 175.2618 94 D 4.5994 7.9645 118.5447 54.2950 41.0237 176.0683 95 R 4.0659 8.8879 126.3836 60.1364 30.1221 178.6586 96 E 4.0310 8.2230 114.5275 59.2076 29.8396 179.6816 97 G 4.0837 8.6815 106.4108 46.1437 0.0000 174.6652 98 Q 4.2813 8.2178 117.5054 54.5333 27.9010 180.5161 99 G 3.5567 9.4069 113.6773 46.3223 0.0000 173.3776 *100 F 5.1854 8.2079 121.4552 58.6036 43.1465 174.5586 101 I 4.8841 8.2164 121.0877 59.5329 40.3720 175.7807 102 S 4.2712 9.1569 123.3881 59.4242 62.8240 175.5145 103 G 3.9100 8.7471 113.8488 46.7769 0.0000 175.0417 104 A 4.0285 8.1998 125.1369 56.3997 18.2539 179.2812 105 E 3.7214 8.5816 114.9494 61.5738 29.5597 181.2213 106 L 4.0566 7.6840 118.6120 58.2600 42.7093 179.5938 107 R 3.8289 7.9828 117.9621 60.1055 30.0615 177.3388 108 H 3.9510 10.2029 117.1360 59.7410 29.6189 176.5541 109 V 3.4612 8.9922 119.8405 66.5731 31.1335 178.1924 110 L 3.9144 7.9698 118.0270 57.6910 41.6392 179.0359 111 T 4.4958 8.5150 108.9905 61.7609 69.5378 175.8599 112 A 4.4821 8.6173 122.6332 51.2722 20.1783 176.4663 113 L 4.5607 7.7981 116.9456 53.8255 44.3916 178.3262 114 G 3.8221 8.3134 108.7694 45.0678 0.0000 171.4577 115 E 3.9458 8.4627 121.8658 57.4080 29.5620 179.7094 116 R 4.7260 7.5015 118.3683 54.8671 34.1564 176.3602 117 L 4.2372 7.8190 111.4258 55.9945 44.5516 173.5758 118 S 4.5952 8.6180 122.0119 58.1889 64.1540 174.8576 119 D 4.4666 8.9758 127.7254 58.0305 40.5944 179.7318 120 E 4.0727 8.2338 118.1732 61.5311 29.7703 180.4347 121 D 4.6917 8.4164 120.4885 57.2693 40.7412 179.5148 122 V 3.5602 7.5694 117.9973 66.2151 31.7623 177.4057 123 D 4.3635 8.8582 119.2982 57.6485 40.5966 179.0255 124 E 3.9404 8.3915 118.9041 59.5134 29.3701 179.3364 125 I 3.7735 7.5493 118.1210 64.0509 38.0419 177.9363 126 I 3.6552 8.2073 123.5220 64.8727 36.6773 179.2965 127 K 3.9938 8.0039 123.5850 59.9213 31.6780 180.3554 128 L 4.2335 7.9825 121.5547 58.2437 42.0598 178.7610 129 T 3.9785 8.8621 111.7119 63.0107 68.8460 174.2671 130 D 4.5035 8.2841 121.1834 54.9562 40.0662 174.6375 131 L 4.1074 7.8152 117.6734 53.4227 40.5557 178.5442 132 Q 4.6283 8.2415 125.8317 52.7515 31.4575 174.7944 133 E 4.4173 8.7132 122.6553 54.9405 30.5377 176.3517 134 D 4.8518 8.5724 122.8912 52.4672 40.0370 177.0008 135 L 3.8488 8.3704 119.4543 58.2361 40.4105 178.2304 136 E 4.0603 8.8340 120.3272 60.2512 29.8653 176.4982 137 G 3.8558 6.6810 108.1700 44.8624 0.0000 172.3570 138 N 5.5147 7.9287 117.8779 51.5057 41.6594 172.7312 139 V 4.3913 8.3779 118.0470 61.2802 34.9130 174.3513 140 K 4.5919 8.7738 126.3376 53.5213 30.7677 177.5880 141 Y 4.0911 7.9115 126.1334 59.2574 37.9942 178.9840 142 E 4.0668 7.9162 121.4083 59.5195 29.6110 178.5585 143 D 4.7724 7.7126 113.5845 53.6975 39.2648 176.2121 144 F 4.8522 8.6151 123.7474 60.1655 41.2507 176.8789 145 V 3.1113 7.3582 120.6796 66.5661 31.1167 178.5025 146 K 3.9165 8.1743 122.4129 60.2315 31.6521 180.6659 147 K 4.1266 7.8270 118.2896 59.4024 31.9873 179.2602 148 V 3.5393 7.4013 118.1637 65.5987 31.4137 177.0544 149 M 4.2704 7.3811 116.0876 57.0548 32.8587 177.6767 150 A 4.0568 8.1104 120.9830 52.2992 18.5977 178.6903 151 G 3.9990 7.5118 102.4147 45.6412 0.0000 173.3335 152 P 3.8562 0.0000 0.0000 64.6259 31.5419 175.8404 153 Y 4.9292 6.7858 115.9081 55.4201 39.2490 175.3044 154 P 4.6817 0.0000 0.0000 62.7412 31.1109 177.1663 155 D 4.6101 8.6427 120.8941 54.3839 40.5834 172.6008 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 2 K 8.31 4.34 0.00 1.79 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 3 L 7.70 4.16 0.00 1.68 1.70 1.05 0.70 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 4 S 8.66 4.41 0.00 4.07 4.02 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 0.00 0.00 0.00 5 Q 8.73 4.22 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 6 D 8.16 4.50 0.00 2.73 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 7 E 8.45 4.21 0.00 1.95 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 2.25 2.20 0.00 8 I 8.48 4.15 2.01 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 1.57 1.25 1.04 0.00 0.00 9 D 7.91 4.39 0.00 2.77 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 10 D 8.79 4.83 0.00 2.82 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 11 L 7.91 4.01 0.00 1.68 1.83 0.86 0.19 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 12 K 8.13 3.93 0.00 1.75 2.01 0.00 1.29 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.74 1.48 7.81 13 D 7.42 4.44 0.00 3.00 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 14 V 7.57 3.84 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 1.22 0.00 0.00 1.06 0.00 0.00 15 F 8.40 3.82 0.00 2.69 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 16 E 9.01 4.11 0.00 1.97 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 2.24 2.18 0.00 17 L 8.18 4.17 0.00 1.74 1.84 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.13 4.12 0.00 2.86 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 19 D 7.88 4.94 0.00 2.35 2.83 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 20 F 8.04 4.10 0.00 2.99 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 21 W 7.75 4.80 0.00 3.14 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 22 D 8.07 4.62 0.00 2.82 2.83 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 23 G 9.16 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.09 4.09 0.00 1.84 1.80 0.00 3.31 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 25 D 10.05 4.53 0.00 2.70 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 26 G 8.91 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 0.00 0.00 0.00 27 A 7.95 5.27 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 28 V 8.20 4.29 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 0.83 0.00 0.00 -0.48 0.00 0.00 29 D 8.71 4.75 0.00 2.92 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 30 A 9.15 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.99 4.80 0.00 3.15 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 32 K 8.35 4.23 0.00 1.83 1.58 0.00 1.86 0.00 0.00 1.26 0.00 0.00 2.74 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.60 7.81 33 L 7.36 3.89 0.00 2.07 1.55 0.70 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.90 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 35 D 8.51 4.36 0.00 2.66 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 36 V 7.25 3.12 2.36 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 0.68 0.00 0.00 0.40 0.00 0.00 37 C 7.73 4.56 0.00 3.14 3.05 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 38 R 8.11 4.32 0.00 1.86 1.98 0.00 3.12 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 39 C 7.49 4.06 0.00 3.33 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.28 4.45 0.00 1.71 1.78 1.13 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.13 3.53 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 42 I 7.86 3.88 1.99 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 1.78 0.98 0.91 0.00 0.00 43 N 8.24 5.19 0.00 2.75 2.73 0.00 0.00 6.91 8.02 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 44 P 0.00 4.29 0.00 1.96 1.97 0.00 3.59 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 45 R 8.09 4.57 0.00 1.92 1.68 0.00 3.26 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 46 N 8.46 3.63 0.00 2.86 2.55 0.00 0.00 7.24 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 47 E 8.37 4.38 0.00 1.97 1.97 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 2.32 1.99 0.00 48 D 8.17 4.49 0.00 2.94 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 49 V 7.65 3.61 1.97 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 0.92 0.00 0.00 0.81 0.00 0.00 50 F 9.12 4.62 0.00 3.23 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 A 8.41 4.46 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 6.98 4.26 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.95 0.00 0.00 53 G 8.81 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 54 G 7.91 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 55 T 8.38 4.84 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 56 H 8.95 4.76 0.00 3.07 3.40 0.00 5.85 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.58 3.94 0.00 1.62 1.65 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.33 7.81 58 M 7.98 4.52 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 3.21 0.00 59 G 9.04 4.28 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 0.00 60 E 8.24 4.64 0.00 1.95 1.79 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 2.11 1.82 0.00 61 K 7.16 4.61 0.00 1.43 1.67 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.83 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.19 0.80 7.81 62 S 8.79 5.24 0.00 3.33 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.63 4.91 0.00 1.90 1.86 1.08 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.94 0.00 2.28 2.07 0.00 4.17 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 65 F 8.86 3.37 0.00 1.51 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 0.00 0.00 0.00 0.00 66 E 8.46 3.80 0.00 2.02 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 0.00 2.41 2.66 0.00 67 E 8.05 4.42 0.00 2.00 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 2.28 2.31 0.00 68 F 8.01 4.27 0.00 3.45 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 69 L 8.46 3.85 0.00 1.22 1.43 0.78 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.15 0.00 2.15 2.06 0.00 3.73 0.00 0.00 3.72 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 71 A 7.31 3.89 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 72 Y 7.76 3.90 0.00 2.64 3.02 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 0.00 0.00 0.00 73 E 8.43 3.88 0.00 2.01 1.97 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 2.47 2.52 0.00 74 G 8.01 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 75 L 7.26 4.06 0.00 1.52 1.53 0.80 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 76 M 7.43 4.14 0.00 1.86 2.05 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.87 0.00 77 D 6.99 4.81 0.00 2.65 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 78 C 7.19 4.83 0.00 2.83 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 79 E 8.55 4.14 0.00 1.89 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 2.23 2.25 0.00 80 Q 7.74 4.57 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.17 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 81 G 6.52 3.27 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 82 T 8.13 4.43 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 83 F 8.90 4.51 0.00 3.17 3.23 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 84 A 8.15 3.84 1.32 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 0.00 0.00 85 D 7.48 4.16 0.00 2.18 2.37 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 86 Y 7.98 4.07 0.00 3.23 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 87 M 8.88 3.93 0.00 1.85 2.01 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.73 0.00 88 E 8.45 3.65 0.00 2.05 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 2.57 2.45 0.00 89 A 8.10 3.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 7.79 4.24 0.00 2.79 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.26 1.92 0.00 99 G 9.41 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 0.00 0.00 0.00 *100 F 8.21 5.19 0.00 2.11 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 0.00 0.00 0.00 101 I 8.22 4.88 1.87 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 1.20 0.54 0.91 0.00 0.00 102 S 9.16 4.27 0.00 3.41 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 0.00 103 G 8.75 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.20 4.03 1.32 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 0.00 0.00 105 E 8.58 3.72 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 106 L 7.68 4.06 0.00 1.73 1.85 0.90 0.57 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 0.00 107 R 7.98 3.83 0.00 2.10 1.91 0.00 3.15 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 108 H 10.20 3.95 0.00 3.29 3.46 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.99 3.46 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 0.63 0.00 0.00 -0.07 0.00 0.00 110 L 7.97 3.91 0.00 1.89 1.76 1.06 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.51 4.50 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 1.25 0.00 0.00 112 A 8.62 4.48 1.18 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 0.00 0.00 113 L 7.80 4.56 0.00 1.63 1.59 1.02 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.31 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 0.00 0.00 0.00 115 E 8.46 3.95 0.00 1.99 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 2.29 2.29 0.00 116 R 7.50 4.73 0.00 1.81 1.66 0.00 3.35 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 117 L 7.82 4.24 0.00 1.79 1.51 0.95 0.82 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 0.00 118 S 8.62 4.60 0.00 4.06 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 0.00 119 D 8.98 4.47 0.00 2.72 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 0.00 120 E 8.23 4.07 0.00 1.97 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 0.00 2.32 1.98 0.00 121 D 8.42 4.69 0.00 2.83 2.78 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 0.00 122 V 7.57 3.56 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.99 0.00 0.00 123 D 8.86 4.36 0.00 2.94 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 132 Q 8.24 4.63 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.91 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 133 E 8.71 4.42 0.00 2.32 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 2.31 2.22 0.00 134 D 8.57 4.85 0.00 2.90 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 0.00 135 L 8.37 3.85 0.00 1.74 1.88 0.91 0.56 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 0.00 136 E 8.83 4.06 0.00 2.11 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 2.29 2.39 0.00 137 G 6.68 3.86 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 0.00 0.00 0.00 138 N 7.93 5.51 0.00 2.88 2.90 0.00 0.00 5.67 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 0.00 139 V 8.38 4.39 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 0.47 0.00 0.00 0.83 0.00 0.00 140 K 8.77 4.59 0.00 1.47 1.77 0.00 1.88 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 0.85 7.81 141 Y 7.91 4.09 0.00 2.36 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 0.00 142 E 7.92 4.07 0.00 2.04 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 2.49 2.60 0.00 143 D 7.71 4.77 0.00 2.86 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.62 4.85 0.00 2.86 3.11 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 0.00 0.00 0.00 0.00 145 V 7.36 3.11 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.03 0.00 0.00 146 K 8.17 3.92 0.00 1.79 1.85 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.15 7.81 147 K 7.83 4.13 0.00 2.08 1.91 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.71 1.56 7.81 148 V 7.40 3.54 1.74 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 0.64 0.00 0.00 0.22 0.00 0.00 149 M 7.38 4.27 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 150 A 8.11 4.06 1.31 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 0.00 151 G 7.51 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 0.00 152 P 0.00 3.86 0.00 1.10 1.64 0.00 3.40 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.98 0.00 153 Y 6.79 4.93 0.00 3.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 P 0.00 4.68 0.00 2.07 1.96 0.00 3.73 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 155 D 8.64 4.61 0.00 2.65 2.38 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 * Residues marked with a * may have inaccurate shift predictions.