NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3731 8.2845 122.4905 54.9744 43.5537 175.7807 2 I 4.6078 8.7002 116.7436 57.2022 39.0777 168.2925 3 V 3.8640 8.3020 114.7377 64.1161 32.4537 177.2539 4 T 4.2544 7.7024 108.8044 63.2345 69.3856 175.8798 5 Q 4.1228 7.9447 120.1890 57.6247 29.0146 175.9681 6 T 4.4208 7.5245 108.0905 60.8809 70.6241 173.7341 7 M 4.4862 8.3933 123.6518 55.5645 33.4003 175.9242 8 K 4.5029 8.4605 126.2028 53.8872 35.0086 177.1009 9 G 3.8244 8.9712 113.1904 45.4561 0.0000 173.2509 10 L 4.1447 8.0884 121.2432 54.5966 42.7843 175.9229 11 D 4.8127 9.1413 126.2367 52.0499 40.8892 175.9944 12 I 3.7577 8.3566 127.3980 63.8873 38.1772 177.7412 13 Q 4.1761 8.1532 117.6964 57.6251 28.6236 176.8157 14 K 4.2966 7.9377 116.0861 56.8526 32.5026 177.5705 15 V 4.3329 7.5965 111.3396 61.3754 31.8896 175.9674 16 A 4.6992 7.2331 122.5655 51.8809 18.8881 176.3643 17 G 3.6911 8.7295 104.4550 44.5126 0.0000 172.4348 18 T 4.8357 7.6305 107.9014 60.2941 70.5201 174.1360 19 W 5.2455 8.4153 121.7620 55.3673 33.8771 174.0176 20 Y 4.8372 8.9091 118.5022 56.3046 40.9648 175.2663 21 S 4.6841 9.0396 120.3378 58.7123 63.2424 173.2241 22 L 4.7939 9.6410 127.0565 56.2468 44.1004 175.9017 23 A 5.2292 7.7586 118.1017 50.5717 23.0078 174.7434 24 M 5.5490 9.4749 118.2741 53.7507 36.6797 174.5564 25 A 5.1845 8.9318 121.9445 50.6192 23.3411 174.8440 26 A 5.1559 8.8608 120.5750 50.4539 22.6185 177.6045 27 S 4.6074 8.6402 114.6001 59.6957 64.2864 174.1707 28 D 4.7186 7.7965 119.9206 52.5428 43.7607 175.2072 29 I 3.6597 8.6681 128.2182 64.7439 37.7316 177.7109 30 S 4.0964 8.4170 114.3365 61.5995 62.4398 176.5027 31 L 4.0726 7.7436 119.5172 56.9313 41.4815 178.3701 32 L 4.6839 8.2498 114.8796 54.6085 45.3148 176.2498 33 D 3.7564 8.0325 112.4897 57.8308 41.1908 179.2491 34 A 4.7127 8.3982 126.3056 51.4158 21.7736 178.5311 35 Q 4.2406 8.8920 115.3907 58.2370 29.1423 178.0882 36 S 3.5994 7.8385 109.8228 61.3713 62.4448 180.0050 37 A 3.8104 7.7609 117.6861 49.5809 20.1043 177.1249 38 P 4.4959 0.0000 0.0000 64.1303 31.6181 176.8100 39 L 4.5483 7.7192 117.6912 54.7976 42.6790 177.3524 40 R 4.2003 7.6254 121.3668 55.0604 28.3257 175.1261 41 V 4.1884 6.8862 112.6199 59.5866 34.8038 175.2629 42 Y 4.6528 8.0956 117.8123 55.9949 41.0402 175.5484 43 V 3.7549 8.6398 125.9021 63.3891 31.7643 174.9187 44 E 4.3760 9.5735 129.4285 57.7613 31.3088 175.1265 45 E 5.1360 7.8430 118.0568 54.6889 34.0405 173.5159 46 L 5.1256 9.0521 124.5562 52.7367 45.3444 175.6751 47 K 4.4838 9.0112 123.6067 54.2885 34.8312 174.0695 48 P 4.8960 0.0000 0.0000 62.6564 32.2360 176.2767 49 T 4.5082 8.4077 113.0605 59.5937 70.8406 173.8886 50 P 4.1943 0.0000 0.0000 65.9300 31.4300 177.3716 51 E 4.1745 8.0992 112.5147 56.6707 29.4283 177.4393 52 G 3.9465 8.3615 108.2733 45.4795 0.0000 173.4825 53 D 4.9507 7.8027 119.7985 53.4725 43.3963 174.7597 54 L 4.6559 9.0147 120.9892 53.5304 44.8023 174.7108 55 E 4.7979 8.7168 128.2797 55.1027 31.3000 174.6779 56 I 4.7297 8.5574 127.6015 59.4744 40.5392 174.5087 57 L 4.6152 9.1821 128.2133 53.7071 43.0464 176.1355 58 L 5.2302 8.8903 124.5150 52.3348 45.4616 175.4794 59 Q 5.0627 8.3477 116.3517 55.1449 32.1635 173.7646 60 K 5.0634 9.7208 125.8500 55.0281 36.6545 174.8374 *61 W 4.8586 8.5884 124.5314 55.2724 29.5888 173.9014 62 E 4.3700 9.1686 127.0214 54.1924 30.9111 174.9560 63 N 4.0032 9.6882 128.0002 55.3766 35.8894 175.8027 64 D 4.6276 8.7332 115.4970 53.9604 37.8038 175.6951 65 E 4.7920 7.8432 116.7343 56.0248 34.3154 179.2545 66 C 5.0898 8.5030 118.6083 58.8977 31.2532 172.0695 67 A 4.2768 8.7285 126.6307 51.4557 19.5867 175.9646 68 Q 4.8800 8.6119 120.9893 54.5812 30.3857 175.3997 69 K 4.6653 8.7872 122.7794 54.3076 36.1940 175.0267 70 K 5.0722 8.7884 125.4667 54.5887 34.2067 174.9724 71 I 4.7270 8.3578 120.5645 59.1241 41.0420 174.2355 72 I 4.8990 8.4076 123.9800 59.6023 39.5955 174.6204 73 A 4.8783 9.3913 129.6407 50.3623 20.9068 175.9657 74 E 4.7816 9.5664 123.6665 55.6913 31.2431 176.3791 75 K 3.9503 9.7657 126.4786 56.7798 32.7734 176.5152 76 T 4.4846 7.2263 117.5609 59.6326 70.8578 174.9281 77 K 3.9801 8.6723 120.1058 58.3657 32.6060 177.1952 78 I 4.3604 7.2019 119.9538 57.9404 39.4436 173.0037 79 P 4.2186 0.0000 0.0000 63.9163 32.0026 176.3335 80 A 4.0564 8.9070 122.2172 52.1592 16.0427 176.9138 81 V 4.9980 7.2187 115.9122 61.3670 34.2325 174.5552 82 F 5.2073 9.6598 128.4904 56.1527 43.1963 174.6435 83 K 5.0451 9.0323 124.9909 53.7383 34.9160 175.9559 84 I 4.4285 9.3871 128.0693 59.0196 37.1653 173.8576 85 D 4.9279 8.6244 126.0512 54.2496 39.3848 174.2548 86 A 4.8543 7.9421 125.8444 49.2257 22.9109 176.1707 87 L 3.9987 8.7013 118.3740 57.6640 41.5721 177.7812 88 N 4.7597 7.8761 117.2680 51.2411 38.7175 174.2102 89 E 4.5187 8.4745 122.5003 56.2283 31.2436 175.5813 90 N 5.4169 8.7677 119.2875 51.4453 43.3639 173.2339 91 K 5.2078 8.5342 120.7616 54.7211 35.1985 175.3835 92 V 4.3980 9.4762 126.9323 61.8280 32.8946 174.4242 93 L 5.0558 8.9796 129.6579 53.3979 43.6323 175.8896 94 V 4.4362 9.0042 125.2889 62.0163 32.3534 176.2643 95 L 4.2214 9.0072 129.0883 57.1620 42.4612 176.9422 96 D 4.5903 7.8398 114.7802 54.0368 44.4807 174.3454 97 T 4.1534 8.1506 117.5077 61.1175 70.0266 172.6723 98 D 4.5160 7.1129 125.1913 52.5578 39.9973 177.0907 99 Y 4.1150 7.5660 126.0075 60.3609 37.6115 171.9958 100 K 4.1199 8.3088 121.4081 57.3361 32.0645 179.2435 101 K 4.7043 8.6964 121.7113 55.7478 33.4789 178.6324 102 Y 6.1601 7.5114 115.8321 54.5764 42.2855 173.4910 103 L 4.2665 8.3234 117.9855 54.4180 45.2557 173.0505 104 L 5.3296 9.0408 127.8689 53.0618 44.0700 175.7417 105 F 5.4524 8.8677 117.7499 55.6853 41.9635 172.6153 106 C 5.2033 9.5391 116.3421 55.4340 45.6907 172.8871 107 M 5.2582 9.3025 120.4380 53.6164 34.9451 174.3698 108 E 5.0391 8.9324 124.4171 54.4151 32.8719 174.1501 109 N 5.1074 9.0787 124.9351 51.9673 39.4017 175.2152 110 S 4.2014 8.3238 116.8189 61.2024 63.8403 175.3579 111 A 4.0400 8.2539 123.0248 54.7331 17.9254 177.4216 112 E 4.0596 8.1001 112.9734 55.5185 29.5686 174.5793 113 P 4.2411 0.0000 0.0000 66.0136 32.5497 179.0544 114 E 3.9520 8.6102 117.6100 56.6240 29.2356 181.2489 115 Q 4.5669 8.5705 112.8611 54.3751 31.1742 173.0068 116 S 4.2054 8.1074 114.5566 58.5737 63.9136 172.5854 117 L 5.2566 8.7753 128.3640 53.6301 46.0733 175.1585 118 V 4.8597 8.7831 124.1278 61.9441 35.4638 172.6202 119 C 5.3144 9.1523 124.3736 55.2238 40.2707 172.9276 120 Q 4.8586 8.5106 119.0266 54.2573 33.1158 173.8005 121 C 4.4341 8.1591 122.9597 57.6725 33.4480 172.1931 122 L 5.4727 8.9311 126.8115 53.1918 44.1521 176.0688 123 V 5.1140 8.8321 116.3331 59.9405 34.5222 176.8341 124 R 3.6497 9.2035 123.4645 58.7141 29.7071 176.9420 125 T 4.7723 7.6515 108.4811 59.0374 71.5117 172.9381 126 P 4.5090 0.0000 0.0000 62.3196 30.9408 175.9526 127 E 4.1630 7.9006 117.8353 57.8432 30.2919 177.5195 128 V 4.3425 8.1014 111.1621 61.9352 31.8781 175.6753 129 D 4.9694 7.6667 118.8662 52.7812 42.7680 175.5808 130 D 5.0137 8.2885 123.9844 52.8660 40.2752 177.7407 131 E 3.9289 8.2945 122.7655 59.8613 29.4880 177.9393 132 A 3.5338 7.8701 120.4735 55.0557 18.5120 179.2787 133 L 4.1167 8.0765 119.4204 58.6583 41.6497 179.9979 134 E 3.9602 7.9836 117.5182 61.2756 29.7071 180.9065 135 K 3.9534 8.3140 120.0088 59.3257 31.8249 179.0668 136 F 4.3811 8.2849 120.0984 61.5380 39.6934 176.3208 137 D 4.3741 8.6038 121.2383 58.1620 40.8650 179.9776 138 K 3.9747 8.2531 123.7494 59.5648 31.5188 180.0758 139 A 4.5193 7.8154 118.8708 53.0580 18.7820 178.2233 140 L 4.4257 7.4359 116.6708 54.3337 42.7644 178.6194 141 K 3.8271 7.4190 117.2371 59.4451 32.0900 178.0185 142 A 4.3626 7.8259 117.8557 52.2664 17.9255 176.5972 143 L 4.8218 7.5238 117.1729 53.5848 46.0454 175.7380 144 P 4.4496 0.0000 0.0000 61.7921 29.9822 173.5551 145 M 4.6269 7.6330 122.8877 55.6183 33.2324 176.0108 146 H 4.8518 8.8661 120.6737 55.9729 30.3575 175.0209 147 I 4.6612 7.5921 118.4074 59.0041 41.6357 173.9607 148 R 4.9308 8.5272 127.7434 54.8858 32.6583 173.8265 149 L 4.7581 10.1735 126.3555 52.9889 45.1092 175.6190 150 S 4.7538 7.9420 115.3671 56.7790 65.1997 173.0104 151 F 4.9184 8.9276 126.2195 55.6283 40.7219 175.9131 152 N 4.5098 8.9560 118.0868 53.9274 38.3492 175.0127 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 L 8.28 4.37 0.00 1.61 1.69 0.96 0.62 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 8.70 4.61 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 1.30 0.61 0.91 0.00 0.00 3 V 8.30 3.86 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 0.88 0.00 0.00 0.93 0.00 0.00 4 T 7.70 4.25 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 1.21 0.00 0.00 5 Q 7.94 4.12 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 6 T 7.52 4.42 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 1.30 0.00 0.00 7 M 8.39 4.49 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 8 K 8.46 4.50 0.00 1.53 1.53 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.23 0.97 7.81 9 G 8.97 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 10 L 8.09 4.14 0.00 1.67 1.68 1.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 11 D 9.14 4.81 0.00 2.66 2.34 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 12 I 8.36 3.76 2.07 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.06 1.00 0.00 0.00 13 Q 8.15 4.18 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 14 K 7.94 4.30 0.00 1.43 1.54 0.00 0.61 0.00 0.00 1.21 0.00 0.00 2.87 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.20 1.25 7.81 15 V 7.60 4.33 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 0.74 0.00 0.00 0.97 0.00 0.00 16 A 7.23 4.70 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 17 G 8.73 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 0.00 0.00 0.00 18 T 7.63 4.84 4.14 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 1.08 0.00 0.00 19 W 8.42 5.25 0.00 3.00 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 20 Y 8.91 4.84 0.00 3.00 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 21 S 9.04 4.68 0.00 3.92 4.03 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 22 L 9.64 4.79 0.00 1.83 1.80 1.03 1.03 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 23 A 7.76 5.23 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 24 M 9.47 5.55 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.55 0.00 25 A 8.93 5.18 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 26 A 8.86 5.16 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.64 4.61 0.00 3.88 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 28 D 7.80 4.72 0.00 2.64 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 29 I 8.67 3.66 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.52 0.91 0.00 0.00 30 S 8.42 4.10 0.00 4.00 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 0.00 31 L 7.74 4.07 0.00 1.83 1.80 0.94 0.78 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 32 L 8.25 4.68 0.00 1.58 1.64 0.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.03 3.76 0.00 2.84 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 34 A 8.40 4.71 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 35 Q 8.89 4.24 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 36 S 7.84 3.60 0.00 3.58 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 37 A 7.76 3.81 1.30 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 0.00 0.00 0.00 38 P 0.00 4.50 0.00 2.19 2.18 0.00 3.72 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 1.98 1.98 0.00 39 L 7.72 4.55 0.00 1.76 1.66 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.63 4.20 0.00 1.74 2.06 0.00 3.26 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 41 V 6.89 4.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.89 0.00 0.00 42 Y 8.10 4.65 0.00 2.89 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 43 V 8.64 3.75 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 0.60 0.00 0.00 0.87 0.00 0.00 44 E 9.57 4.38 0.00 2.04 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 2.16 2.19 0.00 45 E 7.84 5.14 0.00 2.00 1.68 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 2.31 2.38 0.00 46 L 9.05 5.13 0.00 1.89 1.47 0.34 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.01 4.48 0.00 1.75 1.90 0.00 1.47 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.49 7.81 48 P 0.00 4.90 0.00 1.97 2.03 0.00 3.67 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 49 T 8.41 4.51 4.38 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 1.22 0.00 0.00 50 P 0.00 4.19 0.00 2.06 2.18 0.00 3.68 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 2.04 2.10 0.00 51 E 8.10 4.17 0.00 2.09 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 0.00 2.29 2.26 0.00 52 G 8.36 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.80 4.95 0.00 2.69 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 54 L 9.01 4.66 0.00 1.22 1.15 0.69 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.72 4.80 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 2.23 2.26 0.00 56 I 8.56 4.73 1.79 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.22 0.74 0.00 0.00 57 L 9.18 4.62 0.00 1.62 1.60 0.93 0.64 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 58 L 8.89 5.23 0.00 1.58 1.59 0.92 0.47 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 59 Q 8.35 5.06 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.67 0.00 0.00 0.00 0.00 0.00 2.68 2.58 0.00 60 K 9.72 5.06 0.00 1.77 1.71 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.32 1.50 7.81 *61 W 8.59 4.86 0.00 2.31 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 0.00 0.00 0.00 62 E 9.17 4.37 0.00 1.90 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 2.20 2.27 0.00 63 N 9.69 4.00 0.00 2.92 2.90 0.00 0.00 7.13 8.06 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 64 D 8.73 4.63 0.00 2.88 2.70 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 65 E 7.84 4.79 0.00 1.64 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 2.08 0.00 66 C 8.50 5.09 0.00 2.95 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 67 A 8.73 4.28 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 68 Q 8.61 4.88 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.63 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 69 K 8.79 4.67 0.00 1.70 1.65 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.36 7.81 70 K 8.79 5.07 0.00 1.72 1.66 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.37 7.81 71 I 8.36 4.73 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 0.50 0.91 0.00 0.00 72 I 8.41 4.90 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 1.27 0.65 0.96 0.00 0.00 73 A 9.39 4.88 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 9.57 4.78 0.00 2.01 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 2.35 2.29 0.00 75 K 9.77 3.95 0.00 1.85 1.73 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.16 7.81 76 T 7.23 4.48 4.16 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 1.18 0.00 0.00 77 K 8.67 3.98 0.00 1.73 1.89 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.35 7.81 78 I 7.20 4.36 1.84 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 1.31 1.42 0.87 0.00 0.00 79 P 0.00 4.22 0.00 2.23 2.01 0.00 3.84 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 80 A 8.91 4.06 1.58 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 81 V 7.22 5.00 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 0.98 0.00 0.00 0.94 0.00 0.00 82 F 9.66 5.21 0.00 2.99 2.92 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 83 K 9.03 5.05 0.00 1.40 1.64 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.25 7.81 84 I 9.39 4.43 1.98 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 1.14 0.57 0.93 0.00 0.00 85 D 8.62 4.93 0.00 2.68 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 86 A 7.94 4.85 1.29 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 0.00 0.00 87 L 8.70 4.00 0.00 1.65 1.76 0.92 0.97 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 88 N 7.88 4.76 0.00 2.70 2.78 0.00 0.00 6.92 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 89 E 8.47 4.52 0.00 2.06 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 2.36 2.35 0.00 90 N 8.77 5.42 0.00 2.68 2.72 0.00 0.00 6.64 7.57 0.00 0.00 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 8.53 5.21 0.00 1.70 1.73 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.36 7.81 92 V 9.48 4.40 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.99 0.00 0.00 93 L 8.98 5.06 0.00 1.66 1.64 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 94 V 9.00 4.44 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 0.90 0.00 0.00 0.85 0.00 0.00 95 L 9.01 4.22 0.00 1.73 1.76 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 96 D 7.84 4.59 0.00 2.83 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 97 T 8.15 4.15 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 0.50 0.00 0.00 98 D 7.11 4.52 0.00 2.85 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.57 4.11 0.00 3.23 3.18 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 0.00 100 K 8.31 4.12 0.00 1.77 1.71 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.00 7.81 101 K 8.70 4.70 0.00 1.40 1.75 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.23 7.81 102 Y 7.51 6.16 0.00 3.11 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 0.00 103 L 8.32 4.27 0.00 0.62 0.57 -0.71 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 104 L 9.04 5.33 0.00 1.73 1.70 1.08 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.87 5.45 0.00 3.16 2.92 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 0.00 106 C 9.54 5.20 0.00 2.79 2.97 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 0.00 107 M 9.30 5.26 0.00 1.90 1.90 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 2.69 2.56 0.00 108 E 8.93 5.04 0.00 2.05 1.77 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 2.20 2.25 0.00 109 N 9.08 5.11 0.00 2.59 2.74 0.00 0.00 7.04 7.55 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 0.00 110 S 8.32 4.20 0.00 4.06 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.25 4.04 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 0.00 112 E 8.10 4.06 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 2.33 2.27 0.00 113 P 0.00 4.24 0.00 2.17 2.00 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 1.99 1.96 0.00 114 E 8.61 3.95 0.00 2.01 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.90 0.00 115 Q 8.57 4.57 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.90 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 116 S 8.11 4.21 0.00 3.90 3.76 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 0.00 117 L 8.78 5.26 0.00 1.90 1.39 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.78 4.86 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 0.87 0.00 0.00 0.91 0.00 0.00 119 C 9.15 5.31 0.00 3.06 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 8.51 4.86 0.00 1.41 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.18 1.95 0.00 121 C 8.16 4.43 0.00 1.48 2.24 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 0.00 122 L 8.93 5.47 0.00 1.49 1.79 0.59 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.83 5.11 2.39 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 0.99 0.00 0.00 1.12 0.00 0.00 124 R 9.20 3.65 0.00 1.57 1.76 0.00 2.48 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.53 0.00 125 T 7.65 4.77 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 0.00 126 P 0.00 4.51 0.00 2.01 1.74 0.00 3.61 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.49 0.00 127 E 7.90 4.16 0.00 2.07 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 2.40 2.34 0.00 128 V 8.10 4.34 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 0.67 0.00 0.00 0.93 0.00 0.00 129 D 7.67 4.97 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.29 5.01 0.00 2.83 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 0.00 131 E 8.29 3.93 0.00 2.08 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 2.15 2.28 0.00 132 A 7.87 3.53 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 0.00 133 L 8.08 4.12 0.00 1.88 1.80 0.96 1.08 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 0.00 134 E 7.98 3.96 0.00 1.98 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 2.25 2.23 0.00 135 K 8.31 3.95 0.00 1.45 1.67 0.00 1.59 0.00 0.00 1.49 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 0.80 7.81 136 F 8.28 4.38 0.00 2.91 3.31 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 0.00 137 D 8.60 4.37 0.00 2.99 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 0.00 138 K 8.25 3.97 0.00 1.75 1.82 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.33 7.81 139 A 7.82 4.52 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 0.00 140 L 7.44 4.43 0.00 1.49 1.42 0.10 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 141 K 7.42 3.83 0.00 1.78 1.83 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.52 7.81 142 A 7.83 4.36 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 0.00 143 L 7.52 4.82 0.00 1.62 1.45 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 4.45 0.00 2.11 2.15 0.00 3.63 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 1.99 1.94 0.00 145 M 7.63 4.63 0.00 1.93 1.92 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 2.41 2.38 0.00 146 H 8.87 4.85 0.00 3.01 3.30 0.00 5.60 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.59 4.66 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 1.22 1.70 0.99 0.00 0.00 148 R 8.53 4.93 0.00 1.72 1.70 0.00 3.53 0.00 0.00 3.12 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.67 0.00 149 L 10.17 4.76 0.00 1.64 0.96 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 150 S 7.94 4.75 0.00 3.75 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 0.00 151 F 8.93 4.92 0.00 3.05 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 0.00 152 N 8.96 4.51 0.00 2.78 2.78 0.00 0.00 6.82 7.56 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 * Residues marked with a * may have inaccurate shift predictions.