NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3591 8.1727 121.7984 56.4902 34.3821 177.5734 3 D 4.2488 8.0085 117.8614 55.9478 41.0749 176.4641 4 K 3.9527 8.8004 121.2261 59.3568 32.6578 178.2570 5 I 3.6639 7.6189 119.5402 64.6228 37.1580 178.4003 6 I 3.7348 7.7308 120.5059 64.1158 36.5883 177.8391 7 D 4.3119 8.4304 119.3605 57.7535 41.0511 178.3665 8 N 4.2560 8.3712 116.6527 56.0686 38.4601 177.3830 9 A 3.6048 8.2427 122.7672 54.9925 18.3711 179.6802 10 I 3.7554 7.8793 118.3896 64.7659 37.2189 178.7828 11 T 3.6958 7.4152 116.1561 66.6214 68.3034 176.7648 12 L 3.8759 7.8140 120.8099 57.8469 41.6305 179.6559 13 F 4.6017 8.5611 118.3062 60.5436 38.5638 177.9117 14 S 4.3291 8.1898 113.5097 61.3503 62.8631 176.0404 15 E 4.0962 7.9490 120.9525 58.2063 29.5837 178.2310 16 K 4.3671 8.5803 116.4603 55.0191 33.2333 177.7534 17 G 4.0876 7.6891 104.2491 45.1561 0.0000 173.9579 18 Y 4.0314 8.3729 119.5580 60.7463 38.7874 177.4729 19 D 4.1507 8.0838 117.7740 56.9296 41.0529 177.6720 20 G 3.7467 7.9372 105.4199 46.5804 0.0000 173.3417 21 T 4.3822 7.2550 117.0116 62.3591 70.0754 174.7051 22 T 4.6154 8.2309 115.2080 59.5696 72.8135 175.5469 23 L 3.9517 8.2204 121.1166 57.7209 41.5983 179.4610 24 D 4.3208 8.0114 118.5938 57.4225 40.8318 178.1215 25 D 4.2828 7.9613 119.1692 57.6105 40.7124 179.1365 26 I 3.5690 7.5423 120.1794 64.3760 37.0797 178.7706 27 S 4.1041 8.2890 115.4233 61.2685 62.8385 176.3695 28 K 3.9231 8.6837 123.8473 59.1238 31.6289 178.9471 29 S 4.1449 7.9552 114.0755 60.7069 63.0170 175.9244 30 V 4.0845 7.1885 112.8760 59.6084 32.3109 175.1470 31 N 4.1321 7.8613 115.8667 54.9366 37.3679 172.8479 32 I 4.7188 7.6685 109.0566 58.3740 41.4503 175.2540 33 K 4.2104 8.2635 119.8530 55.8194 32.8330 178.4016 34 K 3.8946 8.8535 123.1667 59.7466 32.1917 178.8466 35 A 4.3937 8.2220 120.4774 55.5363 18.4029 179.4840 36 S 4.3020 8.2475 113.0721 61.1328 62.8504 176.5192 37 L 4.3403 8.0401 121.8073 57.2283 41.1248 177.9345 38 Y 5.1043 7.5792 115.7183 58.5258 37.8962 176.6398 39 Y 4.3810 7.5393 120.3873 61.1140 39.2403 176.5919 40 H 4.0842 8.0014 114.4230 56.3125 29.7988 175.0154 41 Y 4.9251 7.3323 117.5586 56.2324 41.2462 175.9755 42 D 4.7247 8.9493 122.6673 55.9380 41.2716 175.8119 43 N 4.4909 7.5532 114.6175 50.9860 39.5642 174.9707 44 K 4.0444 8.3699 118.1199 59.6122 31.9983 178.0049 45 E 4.1661 8.4845 119.3531 59.4573 29.5413 178.3464 46 E 4.0557 8.9165 119.4596 59.2621 29.7120 178.8696 47 I 3.4427 7.5223 119.3787 64.1852 36.9951 177.7519 48 Y 3.7888 8.5106 120.7854 60.5708 38.6988 177.8904 49 R 3.7371 8.3626 119.9881 59.6097 30.1673 178.6720 50 K 4.1124 8.1720 118.0505 59.3109 31.9290 179.6981 51 S 4.1652 7.9861 115.7922 61.4953 62.6912 176.7162 52 V 3.4533 7.6850 121.2361 65.9341 31.2089 177.8562 53 E 3.9608 8.0777 118.0967 59.4986 29.2566 178.7839 54 N 4.3874 8.2905 117.0041 56.7891 38.9852 176.3277 55 C 4.1787 8.3484 120.1045 62.7504 31.6974 175.6244 56 F 4.4085 8.6033 119.5830 60.7803 38.4362 177.4351 57 N 4.4823 8.5978 116.1841 56.4479 38.3144 176.8110 58 Y 3.8954 8.2308 121.2433 60.6536 38.7885 178.2479 59 F 4.0756 8.2782 118.7010 60.4560 39.0945 177.7846 60 I 3.9009 8.2675 119.5603 64.6759 37.0960 178.2156 61 D 4.4139 8.3803 119.7877 57.2808 40.4109 178.5807 62 F 3.8174 7.9351 120.0245 61.3566 39.4127 176.8801 63 L 4.6003 8.6307 117.6520 57.8509 41.5787 178.9711 64 L 4.6268 8.0373 116.9214 55.2226 41.9477 177.1143 65 R 4.0827 7.4995 119.0077 55.7995 29.0264 175.2189 66 N 4.8102 8.1585 124.0346 50.9210 39.0392 173.5561 67 H 3.6950 8.6791 121.9143 57.9293 30.4579 174.8366 *70 N 4.4361 7.8206 116.0858 54.8493 38.4058 172.8838 71 Y 4.6517 8.0069 121.2656 57.5214 38.7267 176.9091 72 S 4.5843 8.1177 117.0839 57.7745 65.7246 174.3198 73 I 3.9204 8.1575 121.3421 64.6877 36.8611 178.2498 74 D 4.4307 8.1716 119.5286 57.3541 40.5705 178.9640 75 G 4.0610 8.3319 107.6441 46.9500 0.0000 175.6885 76 L 3.4611 8.2708 122.7047 58.2332 42.1401 178.6343 77 Y 3.9191 8.4887 116.7442 61.0852 37.7124 178.5260 78 Q 4.1453 8.3245 120.3274 58.9782 29.1722 177.7891 79 F 4.2120 8.6960 122.0889 61.5187 39.3987 177.1734 80 L 4.0135 8.3314 118.4905 57.6431 41.3492 179.1650 81 F 4.1259 8.6357 120.6657 61.4342 39.2995 177.3653 82 K 4.1248 8.8008 118.4410 59.3271 31.9884 179.1155 83 F 3.8599 8.1743 120.9324 61.3107 39.1013 177.3374 84 I 2.4627 7.4812 117.9283 63.9000 36.8750 177.9466 85 F 3.9975 7.8692 116.9376 59.0585 39.1540 176.5962 86 D 4.7284 8.0925 116.7029 54.7138 41.6752 177.1327 87 V 3.3098 6.8945 118.8404 62.0751 32.1046 175.0918 88 D 4.3799 9.1885 127.8580 54.1497 41.7165 176.4028 89 E 3.8925 8.9931 127.4167 59.5036 29.5140 179.0201 90 R 3.7967 8.5460 116.4855 59.3769 29.3539 178.5447 91 Y 4.0331 7.5924 117.0907 60.6497 37.6844 178.1811 92 I 4.1483 7.8176 120.5046 64.4425 37.3008 178.4534 93 K 3.9455 8.2122 119.4114 59.3391 31.6460 179.1946 94 L 4.0107 7.8800 119.6455 58.1297 42.2615 178.1571 95 Y 3.9331 8.3612 119.5766 60.8157 38.7784 178.2547 96 V 3.6995 8.2067 119.2585 65.9439 31.6210 177.2429 97 Q 4.3387 8.1580 116.1527 56.9473 28.7116 177.8093 98 L 4.0883 7.8208 121.4728 57.4689 41.3987 178.7338 99 S 4.4629 7.5631 111.1501 59.6379 62.8840 174.6434 100 S 4.5957 7.7879 115.8802 57.7731 63.3960 174.0143 101 A 3.9680 7.6925 123.5290 51.7409 18.7920 176.5202 102 P 4.2799 0.0000 0.0000 62.2660 32.0724 177.8077 103 E 4.0224 8.9808 121.7134 59.7901 29.0742 179.5474 104 A 3.9799 8.0182 119.1417 54.3913 18.6295 178.3619 105 L 4.4055 7.9851 116.0094 54.6425 42.1352 177.9444 106 N 4.2133 8.0806 118.5644 56.8263 38.6147 177.0024 107 S 4.0678 7.9745 113.5164 61.1736 62.6051 175.5928 108 E 3.8599 8.0477 121.7136 59.1664 29.4900 178.6826 109 I 3.6597 7.9222 120.0070 64.2485 37.1736 178.1014 110 K 3.8059 8.1117 120.5259 60.0071 31.8770 178.1940 111 H 3.9876 8.1216 118.2529 59.4494 29.7222 177.0552 112 H 3.9191 7.7133 118.0012 58.4160 28.3273 177.7340 113 L 4.0973 8.2265 121.1708 57.7894 41.4877 179.1835 114 Q 3.9430 8.1070 119.5279 59.2711 28.9586 178.1261 115 E 3.9408 7.9042 119.8233 59.3790 29.6536 178.6205 116 I 3.9879 8.0353 118.6167 63.7295 38.0935 177.3194 117 N 4.3700 8.3620 118.2761 56.9079 38.7934 177.0626 118 T 3.9085 8.0451 117.0472 67.0989 68.6326 176.9379 119 T 3.9767 8.0501 117.6464 66.4090 68.4046 176.5872 120 L 4.0487 8.2607 122.4131 58.4214 42.3148 178.3246 121 H 4.0484 8.2941 118.1847 59.5902 29.5626 176.9382 122 D 4.4196 8.0981 119.2866 57.3146 41.0365 178.3977 123 E 4.1575 8.4358 119.1823 59.4275 29.5102 179.3245 124 L 4.2286 8.4620 119.4683 57.9477 41.6713 179.6256 125 I 3.8570 7.7331 119.0672 64.1083 36.7173 178.4921 126 K 3.8050 7.6546 118.2217 58.7977 31.7494 177.9921 127 Y 4.6789 7.8810 115.1665 57.7475 38.2440 174.8839 128 Y 3.4396 7.4186 122.5176 57.0822 39.0618 174.5712 129 D 4.2542 7.4436 126.4970 51.1730 42.4438 173.5754 130 P 4.0508 0.0000 0.0000 65.4569 31.2216 178.1468 131 T 3.9156 7.6220 108.0663 63.7806 68.9249 174.6427 132 H 4.7730 8.2647 117.4785 55.1305 30.4726 173.2343 133 I 4.9231 7.4144 119.6873 59.4827 39.6674 175.5101 134 A 4.5731 9.0636 132.6056 51.8286 18.5108 176.8835 135 L 4.7198 7.4453 119.2663 52.5104 46.3743 177.3778 136 D 4.6226 8.3519 121.3071 52.8278 41.4972 177.2582 137 K 2.5368 8.0787 121.2809 59.3188 31.9635 178.4426 138 E 3.8218 7.8749 118.6855 59.6129 29.6146 178.4804 139 D 4.2682 8.6299 119.1319 56.9428 40.7845 178.6067 140 F 4.0603 8.1990 121.3261 61.3866 39.4664 177.2867 141 I 3.3162 7.8608 119.4294 64.3720 36.8937 178.2169 142 N 4.2213 8.1427 117.3431 55.9490 38.3460 177.2121 143 L 3.5581 7.7643 121.7999 58.2060 42.2227 179.1597 144 I 3.2522 7.0315 119.5239 64.1918 36.8438 178.4975 145 L 4.0181 7.7496 119.7903 57.4512 41.3035 179.5263 146 L 4.0045 7.6369 119.2707 57.6726 41.6385 179.4201 147 F 4.7819 7.7563 117.5741 60.7582 38.7867 177.7363 148 L 3.9963 8.1526 118.4128 58.0329 41.1692 179.5059 149 E 4.3905 8.5819 118.6459 59.9510 29.3687 179.6604 150 T 4.0444 8.5233 115.9220 66.2146 68.4908 176.5906 151 W 3.8667 8.2832 130.3399 60.4053 30.8007 177.5163 152 Y 3.8487 7.8222 116.9569 60.9191 37.3126 178.5146 153 F 4.0508 8.0631 121.0565 61.4005 39.6373 177.3859 154 R 3.8216 8.3714 117.7781 59.1577 29.8903 178.9266 155 A 3.1628 7.1037 120.9263 54.8051 18.0383 179.8887 156 S 4.0296 7.5587 112.3680 61.4718 63.0983 176.7977 157 F 3.9709 8.0343 121.4137 60.2020 38.5201 177.6258 158 S 4.1358 8.5703 113.2059 61.4649 61.9574 176.0422 159 Q 3.8736 7.8271 121.2812 58.4222 28.7657 177.5124 160 K 3.7960 7.0641 118.4319 57.9390 32.5549 177.6986 161 F 5.0258 8.3731 114.2593 58.4966 40.5966 175.8194 162 G 3.8944 8.9291 110.7369 43.9133 0.0000 174.4025 163 I 4.3593 8.1820 124.6322 58.9568 39.5346 175.4153 164 I 3.9183 8.1546 127.3305 63.5544 37.6898 177.2978 165 E 3.9436 8.1830 118.8858 59.5281 29.2441 178.9856 166 D 4.4116 8.0232 118.4405 57.5169 41.0140 178.8292 167 S 4.2682 8.1624 115.7155 61.3175 62.7929 176.9588 168 K 3.3873 8.2653 121.4132 59.2955 31.6836 179.1207 169 N 4.5636 7.7431 116.6112 56.3742 38.5014 177.4924 170 R 3.8856 8.2139 120.1600 59.5131 30.1709 178.3773 171 F 4.1826 8.7211 120.9325 60.8998 39.2978 176.9590 172 K 3.3345 7.9426 119.3415 59.4989 32.0924 178.4231 173 D 4.2962 7.8372 118.9980 57.4723 40.8034 178.9985 174 Q 3.8811 7.8780 118.4679 58.9076 28.6659 178.9603 175 V 2.8176 7.1292 119.3222 65.8267 31.2782 177.7165 176 Y 4.2153 7.7375 116.6387 61.0556 37.4161 178.4568 177 S 4.1696 7.8215 113.2692 61.2988 62.7514 175.9948 178 L 4.1932 7.8371 121.2958 57.7449 41.4410 179.1874 179 L 4.3415 8.3540 120.4863 58.3518 42.1835 178.6803 180 N 4.4981 8.8302 116.7615 56.1345 38.1672 177.3272 181 V 3.4936 7.4583 118.7523 64.9785 31.7416 176.4001 182 F 4.8672 7.9472 115.1130 56.8142 39.5811 174.9110 183 L 4.6492 7.7616 124.0702 54.7907 42.4723 176.8455 184 K 4.2161 8.8813 125.0145 56.6767 32.0779 176.4403 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 8.17 4.36 0.00 1.80 1.89 0.00 1.25 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.54 7.81 3 D 8.01 4.25 0.00 2.87 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 4 K 8.80 3.95 0.00 1.88 1.80 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.53 7.81 5 I 7.62 3.66 2.14 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.53 0.86 0.00 0.00 6 I 7.73 3.73 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.96 0.96 0.00 0.00 7 D 8.43 4.31 0.00 2.81 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 8 N 8.37 4.26 0.00 2.98 2.75 0.00 0.00 7.01 7.27 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 9 A 8.24 3.60 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.88 3.76 1.87 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 1.51 0.67 0.40 0.00 0.00 11 T 7.42 3.70 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 1.10 0.00 0.00 12 L 7.81 3.88 0.00 1.29 1.46 0.72 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 13 F 8.56 4.60 0.00 3.18 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 14 S 8.19 4.33 0.00 3.95 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 15 E 7.95 4.10 0.00 1.93 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 2.24 2.43 0.00 16 K 8.58 4.37 0.00 1.72 1.92 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.36 7.81 17 G 7.69 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 18 Y 8.37 4.03 0.00 2.00 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 19 D 8.08 4.15 0.00 2.66 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 20 G 7.94 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 21 T 7.25 4.38 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 22 T 8.23 4.62 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 1.15 0.00 0.00 23 L 8.22 3.95 0.00 1.70 1.69 0.89 0.90 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 24 D 8.01 4.32 0.00 2.72 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 25 D 7.96 4.28 0.00 2.77 2.60 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 26 I 7.54 3.57 1.72 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.51 0.76 0.00 0.00 27 S 8.29 4.10 0.00 4.25 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 28 K 8.68 3.92 0.00 1.83 1.93 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.42 7.81 29 S 7.96 4.14 0.00 4.00 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 30 V 7.19 4.08 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 0.72 0.00 0.00 0.93 0.00 0.00 31 N 7.86 4.13 0.00 2.77 2.84 0.00 0.00 6.85 9.28 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 32 I 7.67 4.72 1.89 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 1.30 0.86 0.93 0.00 0.00 33 K 8.26 4.21 0.00 1.84 1.80 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.38 7.81 34 K 8.85 3.89 0.00 1.84 1.87 0.00 1.77 0.00 0.00 1.90 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.68 1.54 7.81 35 A 8.22 4.39 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 36 S 8.25 4.30 0.00 4.07 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 37 L 8.04 4.34 0.00 1.52 1.63 0.81 0.85 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 38 Y 7.58 5.10 0.00 3.23 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 7.54 4.38 0.00 2.95 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 40 H 8.00 4.08 0.00 2.52 2.25 0.00 5.69 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 7.33 4.93 0.00 3.10 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 42 D 8.95 4.72 0.00 2.80 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 43 N 7.55 4.49 0.00 3.00 3.04 0.00 0.00 5.92 6.96 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 44 K 8.37 4.04 0.00 1.86 1.89 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.71 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.63 1.71 7.81 45 E 8.48 4.17 0.00 2.25 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 2.40 2.27 0.00 46 E 8.92 4.06 0.00 2.21 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 0.00 2.70 2.51 0.00 47 I 7.52 3.44 2.08 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.32 0.83 0.00 0.00 48 Y 8.51 3.79 0.00 2.70 3.04 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 49 R 8.36 3.74 0.00 2.00 2.14 0.00 3.47 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 50 K 8.17 4.11 0.00 2.01 1.93 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.82 1.90 7.81 51 S 7.99 4.17 0.00 3.93 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 52 V 7.69 3.45 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 1.23 0.00 0.00 0.22 0.00 0.00 53 E 8.08 3.96 0.00 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0.00 0.00 0.00 0.00 72 S 8.12 4.58 0.00 4.08 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.16 3.92 1.80 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.11 0.91 0.00 0.00 74 D 8.17 4.43 0.00 2.67 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 75 G 8.33 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.27 3.46 0.00 1.81 2.05 0.55 1.05 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 77 Y 8.49 3.92 0.00 2.88 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 78 Q 8.32 4.15 0.00 2.41 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 79 F 8.70 4.21 0.00 3.16 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 80 L 8.33 4.01 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 0.00 0.00 89 E 8.99 3.89 0.00 2.04 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 2.26 2.32 0.00 90 R 8.55 3.80 0.00 1.77 1.96 0.00 2.51 0.00 0.00 2.93 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.79 0.00 91 Y 7.59 4.03 0.00 2.83 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 92 I 7.82 4.15 1.99 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.70 0.88 0.00 0.00 93 K 8.21 3.95 0.00 1.88 1.80 0.00 1.53 0.00 0.00 1.46 0.00 0.00 2.76 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.34 1.64 7.81 94 L 7.88 4.01 0.00 1.77 1.91 1.02 0.79 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 95 Y 8.36 3.93 0.00 3.34 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 96 V 8.21 3.70 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 0.98 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4.41 0.00 1.78 1.69 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.08 4.21 0.00 2.95 2.88 0.00 0.00 6.56 8.22 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 0.00 107 S 7.97 4.07 0.00 3.87 3.83 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 0.00 108 E 8.05 3.86 0.00 2.04 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 0.00 2.38 2.30 0.00 109 I 7.92 3.66 1.86 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 1.46 0.52 0.92 0.00 0.00 110 K 8.11 3.81 0.00 1.89 2.04 0.00 1.49 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.46 7.81 111 H 8.12 3.99 0.00 3.26 3.22 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 H 7.71 3.92 0.00 2.32 1.31 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.23 4.10 0.00 1.76 1.76 0.91 0.90 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.10 4.42 0.00 2.75 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 0.00 123 E 8.44 4.16 0.00 2.35 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 2.55 2.69 0.00 124 L 8.46 4.23 0.00 1.66 1.72 0.82 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.73 3.86 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.63 0.91 0.00 0.00 126 K 7.65 3.80 0.00 0.86 0.74 0.00 1.05 0.00 0.00 0.95 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.10 1.47 7.81 127 Y 7.88 4.68 0.00 3.37 3.19 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 0.00 128 Y 7.42 3.44 0.00 2.75 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 0.00 129 D 7.44 4.25 0.00 2.58 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 0.00 130 P 0.00 4.05 0.00 2.12 2.09 0.00 3.51 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.89 0.00 131 T 7.62 3.92 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 1.13 0.00 0.00 132 H 8.26 4.77 0.00 3.18 3.31 0.00 5.75 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 I 7.41 4.92 1.63 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.58 1.04 0.00 0.00 134 A 9.06 4.57 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 0.00 135 L 7.45 4.72 0.00 1.59 1.50 0.66 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.35 4.62 0.00 2.88 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 0.00 137 K 8.08 2.54 0.00 0.82 1.48 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.16 7.81 138 E 7.87 3.82 0.00 2.04 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 2.33 2.41 0.00 139 D 8.63 4.27 0.00 2.69 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 0.00 140 F 8.20 4.06 0.00 3.17 3.20 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 0.00 141 I 7.86 3.32 1.78 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 1.51 0.77 0.82 0.00 0.00 142 N 8.14 4.22 0.00 2.62 2.77 0.00 0.00 6.69 6.29 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 0.00 143 L 7.76 3.56 0.00 1.60 1.47 0.65 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 144 I 7.03 3.25 1.48 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 0.81 0.19 0.85 0.00 0.00 145 L 7.75 4.02 0.00 1.75 1.69 0.90 0.48 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 0.00 146 L 7.64 4.00 0.00 1.68 1.74 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 147 F 7.76 4.78 0.00 3.30 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 0.00 148 L 8.15 4.00 0.00 1.81 1.42 0.83 -0.15 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 0.00 149 E 8.58 4.39 0.00 2.16 2.13 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 2.48 2.71 0.00 150 T 8.52 4.04 4.69 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 1.41 0.00 0.00 151 W 8.28 3.87 0.00 3.58 3.34 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 0.00 152 Y 7.82 3.85 0.00 3.23 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 0.00 153 F 8.06 4.05 0.00 3.23 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 R 8.37 3.82 0.00 1.34 1.79 0.00 3.46 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.57 0.00 155 A 7.10 3.16 0.07 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 0.00 156 S 7.56 4.03 0.00 3.88 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 0.00 157 F 8.03 3.97 0.00 2.89 3.19 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 0.00 158 S 8.57 4.14 0.00 3.83 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 0.00 159 Q 7.83 3.87 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.66 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 160 K 7.06 3.80 0.00 1.30 1.30 0.00 1.25 0.00 0.00 1.26 0.00 0.00 2.83 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 0.21 7.81 161 F 8.37 5.03 0.00 3.04 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 0.00 162 G 8.93 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 I 8.18 4.36 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.81 0.98 0.00 0.00 164 I 8.15 3.92 1.81 0.00 0.00 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 1.62 2.51 0.88 0.00 0.00 165 E 8.18 3.94 0.00 2.11 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 2.43 2.49 0.00 166 D 8.02 4.41 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 0.00 167 S 8.16 4.27 0.00 4.12 4.10 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 0.00 168 K 8.27 3.39 0.00 1.36 0.74 0.00 1.45 0.00 0.00 0.95 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.10 1.62 7.81 169 N 7.74 4.56 0.00 2.79 2.97 0.00 0.00 6.73 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 R 8.21 3.89 0.00 1.99 2.20 0.00 3.21 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 171 F 8.72 4.18 0.00 3.33 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 0.00 172 K 7.94 3.33 0.00 1.92 1.89 0.00 1.81 0.00 0.00 1.93 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.57 0.60 7.81 173 D 7.84 4.30 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 0.00 174 Q 7.88 3.88 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 175 V 7.13 2.82 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 -0.31 0.00 0.00 -0.62 0.00 0.00 176 Y 7.74 4.22 0.00 2.95 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 0.00 177 S 7.82 4.17 0.00 4.00 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 0.00 178 L 7.84 4.19 0.00 2.07 1.95 1.09 0.43 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 0.00 179 L 8.35 4.34 0.00 2.10 1.97 1.24 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 180 N 8.83 4.50 0.00 3.02 2.91 0.00 0.00 6.63 7.23 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 0.00 181 V 7.46 3.49 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 0.13 0.00 0.00 0.88 0.00 0.00 182 F 7.95 4.87 0.00 3.31 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 0.00 183 L 7.76 4.65 0.00 1.90 1.62 1.25 0.40 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 0.00 184 K 8.88 4.22 0.00 1.77 1.69 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.