NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4880 8.1933 115.4159 57.7605 64.6070 174.4101 3 D 4.2489 8.5508 120.8636 57.2064 40.4769 177.8363 4 I 3.7219 7.8461 120.1787 64.0451 37.5877 177.7421 5 K 3.8931 8.0927 120.5029 59.6283 32.0456 178.9005 6 K 3.9907 8.4971 119.0655 59.2055 31.9891 178.8173 7 L 4.0643 8.1675 120.9518 58.3981 42.0047 179.5076 8 G 3.6265 8.1297 105.3721 47.8877 0.0000 175.9429 9 S 4.2940 8.5448 118.1763 61.4126 62.8700 176.7950 10 S 4.2513 8.7299 118.2164 61.3946 62.5228 176.6341 11 W 3.9988 8.2131 130.6626 60.6539 30.5422 177.9301 12 I 3.8975 8.3464 118.6000 64.0051 37.4766 177.8697 13 I 3.7269 8.0947 120.9513 64.3677 36.8919 177.8666 14 N 4.4462 8.1688 119.2172 55.6639 38.5022 176.5145 15 W 3.5097 7.5215 128.9639 60.5117 30.7439 177.6588 16 F 4.0104 7.4338 115.8478 59.0359 37.4161 176.3826 17 F 4.3949 7.5093 114.3363 55.9675 40.4540 176.7830 18 G 3.5476 7.9604 108.5715 45.3585 0.0000 174.0524 19 F 4.6907 7.2304 119.1279 57.7044 39.3883 175.7246 20 N 4.9491 8.6763 119.6952 53.2567 39.1078 174.7922 21 Q 4.5499 7.5015 118.2063 54.0393 32.3683 174.0065 22 I 4.0311 8.2357 124.6204 60.1561 37.8229 174.5814 23 P 4.3562 0.0000 0.0000 62.2081 32.0076 176.9277 24 T 4.0927 8.1522 110.9341 61.8396 70.6768 175.0081 25 N 4.2023 8.8721 120.0206 56.7288 38.4911 177.4702 26 E 4.2947 8.4001 119.3684 59.6925 29.6647 179.0049 27 D 4.3729 8.1633 118.8567 57.4179 40.6438 178.8549 28 S 4.2400 8.0986 114.9321 61.6659 62.9263 176.5169 29 S 4.1565 7.9464 114.4744 61.5236 62.5353 175.9259 30 I 3.8866 8.0597 122.7391 64.4306 36.7343 177.8819 31 Y 3.9245 8.3133 116.7904 59.1261 38.4851 177.6319 *33 K 4.1502 7.9538 119.4882 56.4523 34.3800 178.3636 34 S 4.1104 8.0730 114.9138 61.4947 62.6601 176.8095 35 V 3.5056 7.7884 121.1435 66.0338 31.2071 178.0534 36 L 4.0966 7.9095 118.1668 58.1525 41.5475 179.4653 37 T 3.8958 8.2146 115.7705 66.6573 68.1497 176.3023 38 C 4.0462 8.1967 119.5402 62.3737 31.7415 175.0565 39 A 4.1108 8.1283 121.3296 55.1552 18.3053 179.2311 40 K 3.9107 8.4246 117.9938 56.6599 32.3754 180.0254 41 A 3.6597 9.0732 121.7126 53.6321 18.7349 177.8585 42 D 4.6549 9.5769 116.6378 57.1800 41.4827 178.0672 43 G 3.8640 9.2338 106.5244 45.6767 0.0000 175.5937 44 V 4.5405 8.8256 112.0946 58.5663 36.4049 176.8998 45 I 4.6852 8.0394 119.4220 59.0697 40.2580 176.1740 46 S 4.4149 9.1570 123.5147 57.4211 65.0249 173.2441 47 P 4.2494 0.0000 0.0000 66.1101 30.9193 178.5724 48 E 4.0133 8.1590 117.3287 59.2128 29.4935 178.5167 49 E 4.0327 8.2655 118.7022 59.3826 29.5232 179.2790 50 K 4.0509 8.5151 120.0410 59.5978 32.2765 178.5106 51 D 4.3804 8.6134 119.6848 57.1009 40.6536 178.5963 52 W 4.0316 8.3979 128.6315 60.3178 30.7235 177.7916 53 A 4.3048 8.4316 120.7473 55.4847 17.8866 179.6803 54 L 3.9282 8.2472 117.6937 57.7521 41.6577 180.0741 55 G 3.4133 8.0752 105.8029 47.3778 0.0000 175.4596 56 F 3.8870 7.6477 122.4613 61.1008 39.6141 176.4891 57 C 2.0000 7.3954 117.6945 61.5322 31.2857 175.3404 58 A 3.7888 7.8442 122.8839 54.9905 17.6572 179.6445 59 S 4.1368 7.4867 111.6994 60.9121 63.0559 176.0624 60 W 4.7210 7.4210 121.0281 57.1843 28.9072 176.8396 61 G 3.9838 7.9412 106.5302 46.7703 0.0000 174.3857 62 V 3.7677 7.6961 111.4107 60.7140 32.4238 176.0955 63 A 4.1042 8.5904 125.1162 52.4126 19.0316 178.6980 64 D 4.3588 8.8661 121.0368 57.2773 40.8388 179.2452 65 W 4.5380 8.3714 116.6850 59.8430 27.6684 178.4046 66 V 2.8636 6.7014 118.2851 65.6133 30.8100 178.1817 67 I 3.6035 7.3764 118.9559 64.3250 36.8165 178.0343 68 E 3.9684 8.0954 118.3811 59.5615 29.0793 178.6996 69 D 4.5625 8.4335 118.0319 57.3806 41.3237 178.2578 70 L 4.0934 8.1864 119.6383 57.6297 41.3248 179.4218 71 K 3.9282 8.1429 118.1937 59.3366 32.0660 177.7629 72 T 4.3822 7.4258 104.7513 61.4659 69.4441 174.1839 73 Y 4.2141 7.6850 124.6156 57.6921 39.2006 174.4797 74 E 4.1726 8.1724 126.7197 54.7851 30.7042 177.0398 75 A 3.8552 8.0292 131.6121 51.4610 17.2060 176.6496 76 D 4.7516 7.2897 117.3315 53.4791 42.1063 177.1295 77 E 4.3703 7.7282 119.0654 54.9323 31.1269 176.1146 78 A 4.2230 8.2267 122.0188 51.6023 19.9419 178.0777 79 L 3.9271 8.6488 126.4405 58.3779 42.3402 179.3044 80 E 4.0518 8.1642 116.8655 59.3904 29.3311 178.8540 81 E 4.0088 8.0641 118.5407 59.0920 29.9208 178.9111 82 V 3.7813 7.8387 118.3562 66.1968 31.7810 178.2714 83 I 3.7908 7.8739 119.3696 64.1190 36.7294 177.8787 84 A 4.2369 7.7193 119.4800 53.9775 18.2662 179.1434 85 R 4.1104 7.8423 115.9481 56.9143 30.6959 176.5882 86 S 4.6544 7.7201 113.3903 55.5983 65.3740 172.9968 87 P 4.3095 0.0000 0.0000 65.6263 31.5702 178.0332 88 Q 4.0402 8.0778 116.4729 58.9070 28.8346 177.7542 89 V 3.8177 7.7274 116.2059 65.8634 31.8246 177.8183 90 S 4.3342 7.8646 117.6454 58.1807 61.6088 174.5229 *92 A 4.3825 7.9353 119.1617 52.0484 20.4343 179.4600 93 Q 4.0606 8.3526 120.3436 60.8196 28.6752 179.0332 94 R 4.0131 7.9995 118.4985 59.0395 30.2188 178.1843 95 D 4.5481 8.2966 117.4565 57.6857 41.1702 178.2369 96 I 3.6369 8.4189 120.4204 64.4795 37.1323 178.2091 97 L 3.9896 8.1015 120.9945 57.9633 41.9161 178.7586 98 L 4.0628 8.3722 120.5434 58.3640 42.0242 179.1008 99 S 4.4678 8.5705 114.9309 61.7646 62.8495 176.5276 100 A 4.0342 8.5515 123.8231 55.1427 18.0640 179.8350 101 I 3.3837 7.8279 118.3285 64.2180 36.9403 178.6043 102 W 3.4273 7.7750 118.3545 59.4663 29.1257 178.3767 103 V 3.4279 7.9418 118.3436 66.1259 30.7654 178.2500 104 S 4.3751 7.9642 114.6390 60.8898 62.9680 176.0883 105 A 4.2644 7.8083 123.2021 53.0013 17.8623 179.2348 106 A 3.7910 7.3235 119.4747 54.0049 18.3402 177.8587 107 D 5.1418 7.7539 114.0782 51.8468 39.9619 175.2726 108 G 4.2178 7.7403 105.2324 43.3457 0.0000 173.8428 109 E 3.9842 8.5598 119.7871 56.2845 29.9469 177.6040 110 L 4.0523 8.4952 124.7095 56.0189 42.2114 178.3945 *111 H 4.6406 8.5859 123.9376 55.6807 30.4109 172.7176 112 E 4.1833 8.5586 118.9708 60.1152 29.3631 178.8762 113 K 3.9032 8.0333 118.4605 59.6291 32.1874 178.8471 114 E 3.9425 8.0598 118.1482 59.3065 29.4306 179.4019 115 K 3.9515 8.2351 118.3886 59.2154 32.0541 179.2620 116 A 3.9685 8.4636 121.4922 55.0207 18.1091 179.5717 117 K 3.7870 7.8436 115.7048 59.9111 32.2705 178.9514 118 I 3.8224 7.5169 118.2313 64.8013 37.3647 178.4178 119 R 4.1640 7.8698 118.1528 58.8613 29.6955 179.4877 120 K 3.8857 7.8724 114.3409 57.3819 31.7647 178.4621 *122 A 4.3089 7.9465 124.8483 52.6370 20.7509 180.0610 123 T 3.8938 8.0820 112.5090 66.8393 68.2244 176.9052 124 I 3.7187 7.2987 120.4097 64.4219 37.2919 178.1661 125 L 4.2512 7.8622 117.0283 55.3118 41.5421 177.8197 126 G 3.8817 7.6764 106.7915 46.0476 0.0000 173.1579 127 I 4.2521 7.9741 120.8390 59.5890 38.2483 176.8890 128 K 4.2148 8.4141 124.6800 55.9196 34.0064 177.6238 129 E 3.9298 8.8457 123.1487 59.5864 29.5102 179.0586 130 E 4.0189 8.2459 116.9973 59.7121 29.3469 179.2395 131 I 3.7473 7.6768 120.1020 63.8502 37.2865 177.9919 132 V 3.6087 7.9539 119.3633 66.5146 31.2642 177.8149 133 D 4.4182 8.5483 118.6047 57.5794 40.5808 178.9459 134 Q 4.0830 8.1059 118.5894 58.8443 28.6536 178.7455 135 L 4.0784 8.3285 120.4006 57.7868 41.6840 179.3646 136 E 3.9531 8.4528 118.6730 59.5039 29.4383 179.1434 137 Q 4.2688 8.4424 119.6540 59.1463 29.0466 178.1273 138 L 4.0799 8.3261 121.4708 58.2694 42.0870 178.0018 139 Y 3.9701 8.1461 119.5475 61.1337 38.5279 177.9527 140 Y 3.3593 7.7350 117.1248 60.9926 37.8493 178.3542 141 Y 3.9440 8.1915 117.5415 61.0968 38.0226 178.4540 142 E 4.1170 8.7206 119.6508 59.5190 29.6521 179.3713 143 A 4.2215 8.0726 120.8368 55.1180 18.3757 179.5799 144 A 3.9307 8.1258 119.5003 55.2155 18.3709 179.6660 145 L 3.9972 8.4339 119.3614 58.0946 42.1603 179.1326 146 R 3.9820 8.3199 118.7963 59.6300 30.0364 178.4244 147 Q 4.0704 8.1652 117.8313 58.8564 28.7290 178.7609 148 K 3.8876 8.1939 120.5206 59.5258 32.1419 178.5619 149 R 3.9138 8.3165 119.1053 59.7031 30.0028 178.5086 150 L 4.1086 8.1274 118.5986 57.9494 41.4484 179.3270 151 N 4.4341 8.5321 116.6214 55.9484 38.1860 177.3200 152 L 4.0716 7.8180 121.3517 57.9712 42.2936 178.6467 153 L 3.9698 7.9828 118.2511 56.6848 42.3533 177.3411 154 Y 4.8708 7.9866 115.8154 55.5037 38.3557 174.1440 155 P 4.7026 0.0000 0.0000 64.0379 33.8990 178.2720 156 Q 4.3263 7.9634 110.0295 55.9500 29.2762 177.8492 157 K 4.2989 9.2294 119.2511 56.6075 33.7895 176.0683 158 S 4.4398 8.0919 115.7786 55.4155 64.7916 172.5715 159 P 4.2192 0.0000 0.0000 65.2971 31.5027 175.9160 160 Y 4.2866 7.4004 120.2021 58.0901 38.9062 174.6689 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 S 8.19 4.49 0.00 4.03 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 3 D 8.55 4.25 0.00 2.80 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 4 I 7.85 3.72 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 1.51 0.54 0.90 0.00 0.00 5 K 8.09 3.89 0.00 1.89 2.00 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.56 7.81 6 K 8.50 3.99 0.00 1.98 1.88 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.61 7.81 7 L 8.17 4.06 0.00 1.89 1.88 0.96 1.04 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 8 G 8.13 3.63 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 0.00 0.00 0.00 9 S 8.54 4.29 0.00 3.98 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 10 S 8.73 4.25 0.00 4.11 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 11 W 8.21 4.00 0.00 3.60 3.37 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 12 I 8.35 3.90 2.23 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.60 1.34 0.00 0.00 13 I 8.09 3.73 2.02 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.01 1.05 0.00 0.00 14 N 8.17 4.45 0.00 2.83 2.73 0.00 0.00 6.38 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 15 W 7.52 3.51 0.00 2.04 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.43 4.01 0.00 2.00 1.65 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 17 F 7.51 4.39 0.00 1.72 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 7.96 3.55 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 0.00 0.00 0.00 19 F 7.23 4.69 0.00 3.17 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 20 N 8.68 4.95 0.00 2.71 2.85 0.00 0.00 6.64 7.69 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 21 Q 7.50 4.55 0.00 1.91 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.94 0.00 0.00 0.00 0.00 0.00 2.17 2.33 0.00 22 I 8.24 4.03 1.89 0.00 0.00 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 1.47 0.69 0.94 0.00 0.00 23 P 0.00 4.36 0.00 1.92 1.83 0.00 3.62 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.97 0.00 24 T 8.15 4.09 4.44 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 1.22 0.00 0.00 25 N 8.87 4.20 0.00 3.03 2.67 0.00 0.00 6.94 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 26 E 8.40 4.29 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.73 0.00 27 D 8.16 4.37 0.00 2.82 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 28 S 8.10 4.24 0.00 3.99 4.19 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 29 S 7.95 4.16 0.00 3.76 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 0.00 30 I 8.06 3.89 1.92 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 1.44 0.91 0.98 0.00 0.00 31 Y 8.31 3.92 0.00 3.04 3.21 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 *33 K 7.95 4.15 0.00 1.86 1.64 0.00 1.43 0.00 0.00 1.01 0.00 0.00 2.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 1.20 7.81 34 S 8.07 4.11 0.00 3.93 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 35 V 7.79 3.51 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 1.19 0.00 0.00 0.58 0.00 0.00 36 L 7.91 4.10 0.00 2.04 1.83 1.07 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.21 3.90 4.44 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 1.27 0.00 0.00 38 C 8.20 4.05 0.00 3.12 3.13 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 39 A 8.13 4.11 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 40 K 8.42 3.91 0.00 1.94 1.85 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.45 7.81 41 A 9.07 3.66 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 9.58 4.65 0.00 2.71 2.61 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 43 G 9.23 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 44 V 8.83 4.54 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 0.79 0.00 0.00 0.93 0.00 0.00 45 I 8.04 4.69 1.88 0.00 0.00 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 1.50 1.38 0.93 0.00 0.00 46 S 9.16 4.41 0.00 4.08 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 47 P 0.00 4.25 0.00 2.20 2.18 0.00 3.61 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 2.13 2.18 0.00 48 E 8.16 4.01 0.00 2.07 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 2.43 2.48 0.00 49 E 8.27 4.03 0.00 2.25 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 2.52 2.38 0.00 50 K 8.52 4.05 0.00 1.84 1.85 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.55 7.81 51 D 8.61 4.38 0.00 2.98 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 52 W 8.40 4.03 0.00 3.57 3.38 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 53 A 8.43 4.30 1.57 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 0.00 0.00 54 L 8.25 3.93 0.00 1.80 1.65 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.08 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 56 F 7.65 3.89 0.00 1.85 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 57 C 7.40 2.00 0.00 2.32 2.53 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 58 A 7.84 3.79 1.20 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 59 S 7.49 4.14 0.00 4.13 4.07 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 60 W 7.42 4.72 0.00 3.40 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 61 G 7.94 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 0.00 0.00 0.00 62 V 7.70 3.77 1.86 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 0.86 0.00 0.00 0.75 0.00 0.00 63 A 8.59 4.10 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 64 D 8.87 4.36 0.00 2.75 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 65 W 8.37 4.54 0.00 3.50 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 74 E 8.17 4.17 0.00 1.81 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 2.17 2.17 0.00 75 A 8.03 3.86 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 76 D 7.29 4.75 0.00 2.54 2.61 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 77 E 7.73 4.37 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 2.29 2.34 0.00 78 A 8.23 4.22 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 79 L 8.65 3.93 0.00 1.78 1.70 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.16 4.05 0.00 2.21 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 2.38 2.36 0.00 81 E 8.06 4.01 0.00 2.12 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 2.33 2.38 0.00 82 V 7.84 3.78 2.25 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *92 A 7.94 4.38 1.55 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 0.00 0.00 93 Q 8.35 4.06 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.00 6.86 0.00 0.00 0.00 0.00 0.00 2.66 2.56 0.00 94 R 8.00 4.01 0.00 1.93 2.05 0.00 3.19 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 95 D 8.30 4.55 0.00 2.88 3.14 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 96 I 8.42 3.64 2.05 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 1.11 0.72 0.85 0.00 0.00 97 L 8.10 3.99 0.00 1.94 1.82 0.98 0.34 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 98 L 8.37 4.06 0.00 1.95 2.00 1.19 1.37 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 99 S 8.57 4.47 0.00 4.33 4.37 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 0.00 100 A 8.55 4.03 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 0.00 101 I 7.83 3.38 1.85 0.00 0.00 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 1.35 0.89 0.16 0.00 0.00 102 W 7.77 3.43 0.00 3.28 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.94 3.43 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 1.16 0.00 0.00 1.35 0.00 0.00 104 S 7.96 4.38 0.00 3.78 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 0.00 105 A 7.81 4.26 0.74 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 0.00 106 A 7.32 3.79 1.07 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 0.00 0.00 107 D 7.75 5.14 0.00 2.82 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 0.00 108 G 7.74 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.56 3.98 0.00 2.24 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 2.32 1.93 0.00 110 L 8.50 4.05 0.00 1.65 1.55 0.57 0.75 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 *111 H 8.59 4.64 0.00 2.87 2.95 0.00 7.21 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.56 4.18 0.00 2.06 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 2.37 2.45 0.00 113 K 8.03 3.90 0.00 1.82 1.83 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.53 7.81 114 E 8.06 3.94 0.00 2.07 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 2.33 2.35 0.00 115 K 8.24 3.95 0.00 1.93 1.86 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.46 1.59 7.81 116 A 8.46 3.97 1.38 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 134 Q 8.11 4.08 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 135 L 8.33 4.08 0.00 1.87 1.78 0.98 1.28 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 0.00 136 E 8.45 3.95 0.00 2.25 2.15 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 2.29 2.55 0.00 137 Q 8.44 4.27 0.00 2.36 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.80 2.70 0.00 138 L 8.33 4.08 0.00 1.99 1.98 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 8.15 3.97 0.00 2.75 2.85 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 0.00 0.00 0.00 140 Y 7.74 3.36 0.00 3.07 2.68 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 0.00 141 Y 8.19 3.94 0.00 3.27 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 0.00 142 E 8.72 4.12 0.00 2.53 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.72 0.00 143 A 8.07 4.22 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.13 3.93 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 0.00 145 L 8.43 4.00 0.00 1.98 1.93 0.99 0.83 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 0.00 146 R 8.32 3.98 0.00 2.10 2.25 0.00 3.31 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.00 147 Q 8.17 4.07 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.55 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 148 K 8.19 3.89 0.00 1.96 2.07 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.49 7.81 149 R 8.32 3.91 0.00 1.96 2.16 0.00 3.19 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 150 L 8.13 4.11 0.00 1.83 1.82 1.02 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 151 N 8.53 4.43 0.00 2.76 2.90 0.00 0.00 6.65 6.49 0.00 0.00 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 L 7.82 4.07 0.00 1.76 1.84 0.91 0.88 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 0.00 153 L 7.98 3.97 0.00 1.51 1.02 0.94 0.98 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 0.00 154 Y 7.99 4.87 0.00 3.00 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 0.00 155 P 0.00 4.70 0.00 2.20 2.30 0.00 3.32 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 156 Q 7.96 4.33 0.00 2.08 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 157 K 9.23 4.30 0.00 1.78 1.73 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.44 7.81 158 S 8.09 4.44 0.00 3.58 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.22 0.00 2.04 2.07 0.00 2.80 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.01 0.00 160 Y 7.40 4.29 0.00 2.81 2.67 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 * Residues marked with a * may have inaccurate shift predictions.