NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.4310 8.3149 120.0724 56.8804 34.2867 174.7088 12 Y 4.5790 8.5468 120.4069 55.1474 41.7163 172.8900 13 K 4.7986 9.6223 127.3432 55.9462 34.3012 174.7856 14 L 5.2100 9.4279 128.4115 52.9010 44.4021 175.7012 15 V 4.9666 8.2417 123.8563 59.9281 33.8556 174.6319 16 F 4.8435 9.1251 122.7251 55.9314 40.8286 174.8943 17 L 4.4734 10.1233 123.7638 52.1199 45.4003 175.8716 18 G 4.1312 6.5378 107.8431 43.7238 0.0000 172.5405 19 E 4.3831 8.2491 120.1007 55.8368 30.1556 176.6829 20 Q 4.0395 8.5060 121.3862 57.5516 29.5579 176.0246 21 A 3.8646 8.7890 125.5419 52.9285 16.0820 179.0535 22 V 3.8429 7.3005 111.3569 62.9836 32.0598 176.9068 23 G 4.2114 8.5215 108.1115 46.1325 0.0000 175.7687 24 K 3.9116 8.5274 120.8300 59.7986 31.9631 179.0999 25 T 3.8572 7.8249 115.1398 66.8006 68.3532 176.7721 26 S 4.0296 7.9652 116.4562 61.5254 62.9557 176.5898 27 I 3.7626 8.1351 122.8738 64.5046 36.6702 178.4753 28 I 3.5726 7.3120 119.1527 64.6977 36.9153 178.3299 29 T 3.9257 8.0136 116.6508 66.5111 68.2782 176.6118 30 R 4.2856 8.3093 122.3911 58.7644 29.8163 178.1874 31 F 4.1101 7.7134 116.2144 59.0569 39.0822 175.1741 *33 Y 4.4982 7.6265 112.1533 56.0782 39.4326 174.2076 34 D 4.9941 7.3297 117.7063 54.4285 40.2275 172.4276 35 T 4.7959 7.5480 109.2558 60.1595 71.1095 171.6697 36 F 4.6307 8.3397 125.1917 56.7698 42.2783 173.7172 37 D 4.4311 7.6040 127.9121 52.6197 39.7131 175.8652 38 N 4.5984 8.5674 124.5925 55.5500 39.2375 175.1246 39 N 4.7236 7.8423 112.9555 52.9554 39.2805 174.0785 40 Y 3.9558 7.8782 120.8549 57.8963 38.6578 175.5256 41 Q 4.0793 8.6573 127.5863 55.4121 28.8594 175.7916 42 S 3.4290 6.8197 118.0846 55.8189 63.3300 173.2966 43 T 4.7114 8.0868 112.4816 59.7423 71.9335 172.6846 44 I 4.4462 8.9680 114.7482 57.7263 39.4053 175.3403 45 G 4.1538 7.4371 112.7225 46.2184 0.0000 170.5215 46 I 4.6835 7.3561 112.9488 59.2136 40.8090 173.9387 47 D 4.0091 7.5243 119.4002 53.3260 45.0720 173.9866 48 F 5.4302 8.1562 120.7318 55.7494 42.3506 174.5054 49 L 4.9626 8.9596 122.4283 53.2237 46.2328 175.2636 50 S 5.3920 8.7249 116.6454 56.8387 66.2536 173.0540 51 K 4.6773 9.1945 121.7952 55.4775 36.1144 174.5546 52 T 4.9256 8.4771 122.1970 62.0378 70.1863 173.8082 53 L 4.7064 8.7711 126.8423 53.2095 44.4619 175.1644 54 Y 4.7839 8.7497 121.1057 56.6408 39.0393 175.2533 55 L 4.6602 8.5149 125.0121 53.0040 44.0791 177.3546 56 D 4.7919 8.4027 120.7410 53.2220 39.6547 175.4121 57 E 4.6614 7.2534 118.2498 56.0874 35.6656 174.2679 58 G 4.4937 7.7033 106.6403 42.6592 0.0000 170.2555 59 P 4.8666 0.0000 0.0000 62.4661 32.6093 176.0180 60 V 4.4595 8.8633 121.4268 61.2470 34.8666 174.0700 61 R 4.7097 8.7689 128.7117 55.6821 31.4996 174.5959 62 L 5.3514 9.3080 126.7248 53.0335 44.9870 175.2585 63 Q 4.8658 9.4682 125.1920 54.5174 31.2443 173.9641 64 L 5.3390 9.6265 128.5203 53.7197 43.7290 175.9374 65 W 5.1307 9.8530 124.9653 55.2565 31.3926 174.5993 66 D 5.0661 8.8808 126.5676 53.2574 41.9302 175.9378 67 T 4.3878 7.7351 116.7490 60.0128 71.5617 173.6739 68 A 4.5373 7.9406 123.6799 50.3232 19.8453 176.9940 69 G 4.1696 8.8958 110.3433 46.4175 0.0000 173.4227 70 Q 4.3044 8.3296 119.8066 55.6205 29.6709 176.7511 71 E 3.9402 9.1506 122.2669 59.5113 29.6097 179.3075 72 R 3.8954 7.8094 113.2132 58.1161 29.6897 176.9382 73 F 5.0274 8.1349 117.7508 57.1659 39.4467 177.5657 74 R 4.0269 8.1472 121.5147 59.3353 29.0467 178.6527 75 S 4.3110 8.0476 110.8758 59.7268 63.4934 174.4571 76 L 4.2474 7.8794 121.0355 55.4671 42.3932 178.5450 77 I 3.6261 7.5461 120.8263 64.0430 37.0126 176.1130 78 P 4.2738 0.0000 0.0000 65.8061 30.9446 178.7730 79 S 4.2330 7.8965 111.2098 61.2472 63.1271 175.7849 80 Y 4.6849 7.4911 119.7026 61.3923 38.0260 178.1077 81 I 3.8921 7.9716 120.3917 62.3245 37.3571 176.3773 82 R 4.0521 7.4115 119.1789 58.2916 30.0966 175.2666 83 D 4.4151 8.8635 122.2813 54.9120 38.7261 173.8192 84 S 4.1016 7.7443 113.5542 58.3067 63.7268 174.1172 85 A 4.4534 8.9570 124.7199 53.7992 20.0544 176.7958 86 A 5.0850 7.5843 115.0601 50.8147 23.1402 175.1602 87 A 4.7685 9.0958 121.2604 50.2856 22.9392 175.1749 88 I 4.4524 8.2533 124.0763 59.4726 39.4993 174.9637 89 V 4.5159 8.8615 128.6582 61.4364 32.5155 174.5200 90 V 5.0270 8.8552 129.1720 61.4479 33.9840 174.0161 91 Y 4.9970 8.6999 124.2493 55.5624 42.6081 172.9892 92 D 5.3492 9.0881 119.3651 52.2934 42.7451 177.1185 93 I 4.0823 8.8003 120.6512 63.2319 37.6686 177.2110 94 T 4.4943 9.0983 110.6041 60.6536 69.2112 173.9874 95 N 4.8806 8.4905 122.1296 51.3430 40.3922 174.3882 96 R 4.1136 8.7612 126.8678 59.6660 29.8738 177.8996 97 Q 4.0534 8.2596 119.1014 59.1507 28.8923 178.1905 98 S 4.3174 8.9854 114.9906 61.1348 63.3363 175.9207 99 F 4.2098 7.9448 123.1637 60.9784 38.9607 177.2111 100 E 3.8026 8.2677 117.1783 58.8266 29.5708 178.2137 101 N 4.5928 7.9007 115.2175 54.3330 38.8067 177.0983 102 T 4.1155 7.6022 112.4510 65.1970 68.6033 176.4264 103 T 3.6678 7.6655 117.9770 66.1472 68.4812 176.1708 104 K 3.7104 7.8158 120.9584 59.3684 32.2461 178.7679 105 W 4.2189 7.8067 118.6429 59.7574 28.9736 178.6870 106 I 3.6787 8.1537 120.2730 64.3407 36.3564 178.5438 107 Q 3.8991 8.1415 119.1163 58.9765 28.6089 178.3580 108 D 4.3540 8.0222 119.9320 57.3781 40.7460 179.0786 109 I 3.7297 7.7521 120.1603 64.4182 37.0774 178.4846 110 L 3.9660 7.9486 119.7944 57.7271 41.1794 179.2918 111 N 4.2761 8.2206 115.8790 56.4946 38.6338 176.7883 112 E 4.1477 7.8987 118.5057 58.0893 30.0839 177.1663 113 R 4.5403 8.2330 115.5417 54.3428 33.2763 176.8099 114 G 3.7278 7.6899 106.9541 47.0462 0.0000 176.0437 115 K 4.2489 8.6860 122.9386 57.3384 32.4492 176.0975 116 D 4.7972 7.7425 119.8311 53.6043 40.9722 176.7033 117 V 4.5946 7.2257 115.8781 60.7567 34.5257 173.4234 118 I 4.1647 8.4496 125.1398 60.8062 38.3784 174.7864 119 I 5.0016 8.3654 126.8988 59.3844 40.0148 174.8236 120 A 4.7326 8.9746 127.3761 50.0019 22.5724 174.3802 121 L 5.1415 8.6496 123.6917 53.3556 44.7024 175.0429 122 V 4.7161 9.0971 126.4026 61.0190 34.7452 174.2605 123 G 3.1335 8.9229 116.1592 44.6936 0.0000 172.5140 124 N 5.0957 8.5923 125.8701 52.0594 41.9361 174.0629 125 K 3.8721 8.3357 116.9550 57.8648 28.2890 178.0529 126 T 4.0933 7.9654 113.0170 63.8191 67.6180 174.1701 127 D 4.6242 7.9257 118.7497 54.6543 40.2819 176.2613 128 L 4.8009 7.5755 120.7798 53.8243 42.4694 178.6104 129 G 3.8664 8.2373 109.8720 48.7195 0.0000 175.7003 130 D 4.4376 8.1306 117.9836 55.3186 39.7156 176.8429 131 L 4.5940 8.1468 119.4617 54.0880 42.0603 175.9409 132 R 4.1886 7.7216 120.1924 56.7851 30.2156 176.4151 133 K 4.5288 9.1938 122.8169 55.7285 34.1251 176.1790 134 V 4.3741 7.5896 118.3942 60.3312 33.7341 175.6871 135 T 4.2354 8.4473 118.2563 61.4842 70.6172 174.7994 136 Y 4.3037 8.6196 123.0046 60.8617 38.9060 177.6375 137 E 4.1526 8.3910 118.8796 59.5707 29.9920 178.0763 138 E 4.2381 8.1038 118.3673 59.3813 29.5070 180.7735 139 G 3.3110 7.3531 101.9355 45.4033 0.0000 175.1462 *141 Q 4.1656 8.0330 121.5582 55.4453 31.1499 177.5961 142 K 3.9001 8.0293 118.1458 59.5588 32.1741 178.7093 143 A 4.2642 7.7580 122.3517 54.6863 18.2228 179.4231 144 Q 4.0833 7.8268 117.6640 59.0567 28.9658 177.6711 145 E 3.7537 8.0312 120.3244 58.5591 29.7125 176.8775 146 Y 4.5901 7.4263 111.9586 56.8296 38.5272 175.0624 147 N 4.3517 7.6284 115.7716 54.8338 37.7275 175.3096 148 T 4.4942 7.9475 112.5177 61.7145 70.6152 177.4617 *150 F 5.1130 8.8383 120.0625 58.4150 40.1120 172.0537 151 H 4.6351 8.3642 121.4189 54.1713 33.6366 171.9941 152 E 4.9511 8.5676 120.5814 54.9050 32.1678 175.2031 153 T 4.8751 8.9639 113.7341 60.0870 73.4452 172.7868 154 S 4.5757 8.4898 115.5591 57.1139 64.2260 174.4806 155 A 4.0276 8.7575 131.8027 54.8324 18.8401 179.3061 156 K 2.0000 7.6148 115.8339 58.8352 32.1780 177.8938 157 A 3.8650 7.4059 119.3239 52.4635 18.9578 176.9345 158 G 3.7196 7.1073 102.9350 47.1734 0.0000 173.5945 159 H 4.9413 8.2265 115.5706 55.0207 31.2569 175.1928 160 N 4.3567 8.6807 120.3476 54.6887 36.2746 175.1957 161 I 4.3596 7.6495 118.6196 62.9036 39.3446 178.6907 162 K 4.2207 8.1758 119.8213 59.4539 31.8589 179.5465 163 V 3.7297 7.8605 118.9628 64.3646 31.2049 178.1346 164 L 3.6204 7.6833 121.1576 58.2204 41.9645 179.0978 165 F 3.7997 8.2629 117.1263 59.9860 38.9144 177.5931 166 K 4.0225 8.1928 119.6517 59.4435 32.1609 179.1220 167 K 4.0180 8.1881 118.8543 59.6798 31.7025 179.6011 168 T 3.7728 7.4497 114.6726 66.5295 68.4796 176.6065 169 A 4.0405 7.9645 121.6091 54.3824 18.3719 179.7140 170 S 4.2333 7.6990 112.4443 60.5482 64.9101 175.8097 171 K 4.2579 7.1768 123.2991 52.8685 31.0783 176.1959 172 L 3.8798 7.2065 126.1051 56.4415 41.8564 173.7352 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 11 K 8.31 4.43 0.00 1.73 1.82 0.00 1.42 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.38 7.81 12 Y 8.55 4.58 0.00 2.93 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 13 K 9.62 4.80 0.00 1.82 1.59 0.00 1.03 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 0.86 7.81 14 L 9.43 5.21 0.00 1.76 1.56 0.99 0.54 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 15 V 8.24 4.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.01 0.00 0.00 16 F 9.13 4.84 0.00 3.00 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 17 L 10.12 4.47 0.00 1.18 0.61 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 18 G 6.54 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.25 4.38 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.44 0.00 20 Q 8.51 4.04 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.27 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 21 A 8.79 3.86 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 22 V 7.30 3.84 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.03 0.00 0.00 23 G 8.52 4.21 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 0.00 0.00 0.00 24 K 8.53 3.91 0.00 1.78 1.85 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.53 7.81 25 T 7.82 3.86 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 1.04 0.00 0.00 26 S 7.97 4.03 0.00 4.11 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 27 I 8.14 3.76 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.98 1.14 0.00 0.00 28 I 7.31 3.57 1.77 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 -0.12 0.74 0.00 0.00 29 T 8.01 3.93 4.31 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 1.31 0.00 0.00 30 R 8.31 4.29 0.00 2.11 2.15 0.00 3.40 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 31 F 7.71 4.11 0.00 2.28 2.58 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 *33 Y 7.63 4.50 0.00 3.00 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 34 D 7.33 4.99 0.00 2.69 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 35 T 7.55 4.80 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 1.26 0.00 0.00 36 F 8.34 4.63 0.00 2.95 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 37 D 7.60 4.43 0.00 2.43 2.27 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 38 N 8.57 4.60 0.00 2.93 2.93 0.00 0.00 7.15 7.79 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 39 N 7.84 4.72 0.00 2.89 2.82 0.00 0.00 6.91 6.74 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 40 Y 7.88 3.96 0.00 2.82 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 41 Q 8.66 4.08 0.00 1.88 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.19 0.00 0.00 0.00 0.00 0.00 2.21 2.45 0.00 42 S 6.82 3.43 0.00 3.81 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 43 T 8.09 4.71 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 1.11 0.00 0.00 44 I 8.97 4.45 1.99 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 1.39 0.78 1.08 0.00 0.00 45 G 7.44 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 0.00 0.00 0.00 46 I 7.36 4.68 1.54 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 1.07 0.45 0.82 0.00 0.00 47 D 7.52 4.01 0.00 2.56 2.22 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 48 F 8.16 5.43 0.00 2.82 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 49 L 8.96 4.96 0.00 1.57 1.48 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.72 5.39 0.00 3.92 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 51 K 9.19 4.68 0.00 1.78 1.78 0.00 1.09 0.00 0.00 0.94 0.00 0.00 2.58 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.29 1.32 7.81 52 T 8.48 4.93 4.11 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 0.63 0.00 0.00 53 L 8.77 4.71 0.00 1.61 1.63 1.15 0.87 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 54 Y 8.75 4.78 0.00 2.86 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 55 L 8.51 4.66 0.00 1.88 1.60 0.94 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 56 D 8.40 4.79 0.00 2.67 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 57 E 7.25 4.66 0.00 1.93 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 2.16 2.21 0.00 58 G 7.70 4.49 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 0.00 0.00 0.00 59 P 0.00 4.87 0.00 1.92 2.01 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 2.00 2.02 0.00 60 V 8.86 4.46 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 1.18 0.00 0.00 1.00 0.00 0.00 61 R 8.77 4.71 0.00 1.97 1.77 0.00 3.42 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 62 L 9.31 5.35 0.00 1.84 1.72 1.11 0.89 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 63 Q 9.47 4.87 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.89 0.00 0.00 0.00 0.00 0.00 2.63 2.44 0.00 64 L 9.63 5.34 0.00 1.82 1.81 1.14 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 65 W 9.85 5.13 0.00 3.31 3.36 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 66 D 8.88 5.07 0.00 2.64 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 67 T 7.74 4.39 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 0.55 0.00 0.00 68 A 7.94 4.54 0.92 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 0.00 0.00 69 G 8.90 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 0.00 0.00 0.00 70 Q 8.33 4.30 0.00 2.37 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.75 0.00 0.00 0.00 0.00 0.00 2.59 2.70 0.00 71 E 9.15 3.94 0.00 2.06 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 2.36 2.36 0.00 72 R 7.81 3.90 0.00 1.59 1.81 0.00 2.54 0.00 0.00 2.96 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 73 F 8.13 5.03 0.00 3.51 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 74 R 8.15 4.03 0.00 1.99 2.31 0.00 2.80 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 75 S 8.05 4.31 0.00 4.00 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 76 L 7.88 4.25 0.00 1.54 1.18 1.03 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.55 3.63 1.97 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 2.00 0.76 1.11 0.00 0.00 78 P 0.00 4.27 0.00 2.14 2.10 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 79 S 7.90 4.23 0.00 4.16 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 80 Y 7.49 4.68 0.00 3.26 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 81 I 7.97 3.89 1.90 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 1.50 0.99 0.90 0.00 0.00 82 R 7.41 4.05 0.00 1.91 1.81 0.00 3.41 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 83 D 8.86 4.42 0.00 2.76 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 84 S 7.74 4.10 0.00 3.99 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 85 A 8.96 4.45 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 86 A 7.58 5.08 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 9.10 4.77 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 88 I 8.25 4.45 0.80 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 -0.26 0.66 0.00 0.00 89 V 8.86 4.52 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 1.11 0.00 0.00 0.94 0.00 0.00 90 V 8.86 5.03 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 0.92 0.00 0.00 1.00 0.00 0.00 91 Y 8.70 5.00 0.00 3.24 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 92 D 9.09 5.35 0.00 2.82 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 93 I 8.80 4.08 1.93 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 1.62 0.73 0.97 0.00 0.00 94 T 9.10 4.49 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 1.30 0.00 0.00 95 N 8.49 4.88 0.00 2.74 2.83 0.00 0.00 6.77 7.37 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 96 R 8.76 4.11 0.00 2.03 1.98 0.00 3.49 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.92 0.00 97 Q 8.26 4.05 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.68 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 98 S 8.99 4.32 0.00 4.21 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 0.00 99 F 7.94 4.21 0.00 2.95 3.22 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 0.00 100 E 8.27 3.80 0.00 2.12 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 2.35 2.64 0.00 101 N 7.90 4.59 0.00 2.89 3.07 0.00 0.00 6.59 6.72 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 0.00 102 T 7.60 4.12 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 1.30 0.00 0.00 103 T 7.67 3.67 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 1.20 0.00 0.00 104 K 7.82 3.71 0.00 1.59 1.64 0.00 1.29 0.00 0.00 1.53 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.91 1.23 7.81 105 W 7.81 4.22 0.00 3.59 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 0.00 106 I 8.15 3.68 1.57 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.94 0.18 0.00 0.00 107 Q 8.14 3.90 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 108 D 8.02 4.35 0.00 2.96 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 0.00 109 I 7.75 3.73 2.02 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 1.54 0.86 0.88 0.00 0.00 110 L 7.95 3.97 0.00 1.79 1.71 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.22 4.28 0.00 2.80 2.87 0.00 0.00 7.03 7.31 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 0.00 112 E 7.90 4.15 0.00 1.96 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 2.31 2.37 0.00 113 R 8.23 4.54 0.00 1.80 1.86 0.00 3.46 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 114 G 7.69 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.91 0.00 0.00 0.85 0.00 0.00 123 G 8.92 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 0.00 0.00 0.00 124 N 8.59 5.10 0.00 2.72 2.84 0.00 0.00 6.91 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 K 8.34 3.87 0.00 2.05 1.95 0.00 2.16 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.43 7.81 126 T 7.97 4.09 4.33 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 1.20 0.00 0.00 127 D 7.93 4.62 0.00 2.76 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 0.00 128 L 7.58 4.80 0.00 1.71 1.66 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.24 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 8.13 4.44 0.00 2.81 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 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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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *141 Q 8.03 4.17 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 142 K 8.03 3.90 0.00 1.94 2.03 0.00 1.64 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.33 1.57 7.81 143 A 7.76 4.26 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 0.00 144 Q 7.83 4.08 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 145 E 8.03 3.75 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.95 0.00 146 Y 7.43 4.59 0.00 3.06 2.89 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 0.00 147 N 7.63 4.35 0.00 2.86 2.90 0.00 0.00 6.80 8.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 T 7.95 4.49 4.35 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 1.31 0.00 0.00 *150 F 8.84 5.11 0.00 2.98 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 0.00 151 H 8.36 4.64 0.00 2.91 2.96 0.00 5.61 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 0.00 152 E 8.57 4.95 0.00 1.83 1.80 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 1.93 2.00 0.00 153 T 8.96 4.88 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 1.23 0.00 0.00 154 S 8.49 4.58 0.00 3.76 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.76 4.03 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 0.00 0.00 156 K 7.61 2.00 0.00 0.96 1.40 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.02 0.64 7.81 157 A 7.41 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 G 7.11 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 H 8.23 4.94 0.00 3.15 3.15 0.00 5.79 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 N 8.68 4.36 0.00 2.95 2.89 0.00 0.00 6.95 7.45 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 0.00 161 I 7.65 4.36 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 1.12 0.00 0.00 162 K 8.18 4.22 0.00 1.87 1.97 0.00 1.71 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.57 7.81 163 V 7.86 3.73 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.97 0.00 0.00 164 L 7.68 3.62 0.00 1.53 1.94 0.65 1.04 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 0.00 165 F 8.26 3.80 0.00 2.85 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 0.00 166 K 8.19 4.02 0.00 2.08 1.96 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.55 7.81 167 K 8.19 4.02 0.00 1.94 1.83 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.67 7.81 168 T 7.45 3.77 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 1.04 0.00 0.00 169 A 7.96 4.04 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 0.00 170 S 7.70 4.23 0.00 4.06 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 0.00 171 K 7.18 4.26 0.00 1.88 1.85 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.30 7.81 172 L 7.21 3.88 0.00 1.37 1.47 0.74 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.