NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0676 8.1633 120.7395 55.2511 33.7175 173.9354 2 R 4.9774 9.1244 123.1618 51.5704 34.1805 169.9671 3 V 4.9578 8.4878 121.6386 60.2919 35.5574 173.7664 4 V 4.8054 9.2090 126.2014 61.6382 33.0559 174.2749 5 I 5.0106 8.9856 130.0475 59.7591 39.4937 174.9154 6 Q 5.7296 8.9587 125.4891 52.9932 32.7619 174.5369 7 R 4.5807 8.4678 123.2659 55.9198 31.6059 175.5241 8 V 4.9642 8.9828 119.4790 59.7480 34.7400 176.5792 9 K 4.1851 9.0742 121.8619 57.0710 33.0324 177.0468 10 G 4.5664 7.5888 106.8254 46.0038 0.0000 171.4061 11 A 5.0505 7.7350 118.0828 51.0091 23.2576 175.4949 12 I 4.7851 8.5044 122.9585 59.2744 40.4917 174.4288 13 L 5.1485 8.3871 128.0088 53.4411 44.6483 175.3518 14 S 5.2747 9.7203 122.4743 56.8866 67.0262 173.4096 15 V 4.7866 8.4698 114.6411 59.1701 35.1705 175.7129 16 R 4.1856 8.6254 121.4218 56.7511 29.9165 176.4576 *27 L 4.3746 8.2395 122.5003 54.5157 43.1570 176.1571 28 E 4.5637 9.7499 125.2329 54.0153 32.2803 174.8978 29 I 4.2228 8.6385 128.1517 62.3945 37.0563 175.9616 30 I 4.5019 9.1281 119.0850 60.9371 39.9075 175.0164 31 S 4.8271 7.7348 117.0131 56.3553 67.8055 172.3361 32 E 5.3747 8.0257 119.3802 56.1258 31.9149 175.4613 33 I 5.0555 8.0018 119.1441 57.6181 41.7561 175.2422 34 K 4.5926 9.2712 127.1176 55.7921 30.7070 177.8246 35 N 4.7048 8.5133 124.3869 54.1688 39.7045 174.2926 36 G 4.2340 6.9663 107.3520 45.6683 0.0000 171.6508 37 L 5.3042 8.4858 122.4738 52.9454 45.9942 175.5369 38 I 4.5323 8.3298 123.0638 59.7498 40.0662 173.9560 39 C 5.0769 8.8950 127.1642 58.0107 31.0556 172.9901 40 F 5.0969 9.2714 124.5023 56.3750 40.2832 174.9893 41 L 5.1800 9.3791 126.7760 53.3801 44.8229 175.1634 42 G 4.6687 8.9851 114.5729 45.1514 0.0000 171.3966 43 I 5.1519 8.4628 124.1787 59.4443 39.4165 175.2266 44 H 3.6216 9.0027 127.2217 55.0937 30.4998 175.9522 45 K 3.6523 6.9523 122.1554 59.8061 31.8445 178.2100 46 N 4.7787 7.8025 112.5722 53.0818 38.5940 175.1272 47 D 4.4310 7.3880 119.0087 55.0346 41.4119 176.7595 48 T 4.7808 8.7176 113.3098 59.7066 72.5671 175.5099 49 W 4.4088 8.8626 129.4359 60.3531 30.5913 177.6420 50 E 3.9215 8.3406 118.5138 59.3928 29.0567 178.4389 51 D 4.4076 8.5980 119.1510 57.5910 40.9532 178.9745 52 A 4.0221 8.1273 120.9384 55.2071 18.2764 179.7541 53 L 3.5010 7.5961 117.6613 57.6517 41.5757 178.6763 54 Y 3.8110 7.9418 119.6880 60.7111 38.6874 177.8598 55 I 3.6049 7.5151 118.7857 64.9541 37.2726 178.0532 56 I 2.7310 7.3958 119.8615 64.4314 36.9153 178.5959 57 R 3.7866 7.8067 118.9844 58.7172 29.7396 178.7062 58 K 3.8369 7.5337 118.4248 59.2003 32.0802 178.8322 59 C 4.1834 7.9262 115.6417 62.9740 28.1935 175.9848 60 L 4.1938 7.6867 118.9054 57.4861 41.3762 178.5486 61 N 4.8695 7.8294 113.2938 52.2416 39.1914 175.2083 62 L 4.0472 7.7689 122.0000 55.0003 41.8575 177.3423 63 R 4.7742 8.5433 124.4479 56.1812 27.8125 176.8038 64 L 5.0156 8.3013 117.5765 54.0976 42.7839 176.5432 65 W 4.7428 8.4743 119.7954 54.5353 32.0108 175.2036 66 N 4.8597 8.4020 118.6585 53.2068 38.7444 174.1574 67 N 4.8875 8.0720 118.0022 52.5556 39.6791 173.6575 68 D 4.4789 8.6481 124.8623 55.3959 39.9814 174.0460 69 N 4.7595 7.6705 111.6326 54.4964 40.9798 175.1357 70 K 4.1641 7.6682 116.8840 56.4959 33.6101 177.2634 71 T 4.4865 8.3187 112.9746 60.3378 70.4842 174.9318 72 W 4.1124 7.4769 115.2026 56.7912 25.7116 173.7232 73 D 4.9355 7.8049 115.8208 53.7865 45.1540 175.3205 74 K 5.0114 8.9698 117.8987 54.7275 36.6736 175.6796 75 N 5.8600 10.7326 121.7884 50.2582 40.1900 175.9050 76 V 3.7756 8.8832 117.1704 63.9620 31.6870 177.8142 77 K 3.9462 8.7202 120.0594 57.6413 33.1632 178.2189 78 D 4.3241 7.5659 116.5374 56.5209 40.7312 177.1919 79 L 3.9143 7.1791 115.7502 53.2286 43.1758 175.0287 80 N 4.1610 7.3121 115.4092 54.1787 36.9296 171.5771 81 Y 5.0851 7.9466 116.6023 57.0695 41.0657 176.4593 82 E 5.0093 8.6253 118.8524 54.9653 32.8207 175.4232 83 L 4.8861 8.7805 121.9802 52.9108 44.9644 175.3400 84 L 4.7313 9.0855 126.1866 53.5933 43.8084 175.0812 85 I 4.6833 8.2955 128.7163 59.9077 38.2991 175.6992 86 V 4.4169 8.8071 128.1439 60.8109 34.1199 174.4072 87 S 4.7244 8.5068 123.3872 58.3616 62.9116 174.0153 88 Q 4.5785 8.9968 128.6251 54.2434 29.3759 174.9715 89 F 4.5164 8.7494 119.2798 58.7224 38.6374 178.1362 90 T 3.2154 6.9007 111.3635 63.3607 68.4247 175.6013 91 L 4.0096 7.4482 121.6686 56.6961 41.8198 177.3652 92 F 4.7782 8.6110 117.6140 56.9719 40.4609 175.4297 93 G 3.8978 8.1560 107.9820 46.2550 0.0000 173.4589 94 N 4.8966 9.3270 126.9640 52.3979 40.5665 175.3479 95 T 4.9160 8.0120 115.2938 61.3413 69.3369 175.2198 96 K 4.0609 8.9622 123.7049 59.5044 33.0252 178.4747 97 K 4.3158 7.8250 121.7827 54.5436 31.9527 176.3493 98 G 4.0059 8.0530 117.1279 46.0659 0.0000 173.4527 99 N 4.8092 8.9361 119.1930 52.7989 41.2590 174.3155 100 K 4.1437 7.9179 119.3030 55.0577 32.8678 174.2915 101 P 4.2142 0.0000 0.0000 61.9427 32.1841 175.1491 102 D 4.4174 8.3369 122.7734 52.9483 41.4378 176.2895 103 F 5.2876 8.1390 124.0563 56.8334 39.5539 177.4210 104 H 4.3235 8.3996 119.4894 58.9488 28.8437 176.1846 105 L 4.2200 8.1469 116.7355 55.3169 41.5300 176.1865 106 A 4.3750 8.1643 121.6686 50.7319 19.9987 177.5086 107 K 4.0122 8.3863 122.0176 55.7790 32.9132 176.6136 108 E 3.9192 9.0754 128.0796 56.6722 30.3673 175.7900 109 P 4.3758 0.0000 0.0000 65.9410 31.0840 178.3072 110 N 4.4405 8.1499 114.5045 56.6272 38.7770 177.3666 111 E 4.0972 8.7326 119.5277 59.1365 29.3817 179.3255 112 A 4.1179 8.5902 121.4770 55.4152 18.5880 179.3859 113 L 2.4400 8.3676 118.9501 58.0109 42.2967 179.3074 114 I 3.9722 7.5730 117.3021 63.6295 38.0223 177.7178 115 F 4.1705 8.2847 121.5350 61.2472 39.3070 176.4191 116 Y 4.3134 9.1815 119.9019 60.8996 38.4365 177.5126 117 N 4.1805 8.8266 117.6345 56.4598 38.8537 177.0386 118 K 3.8621 8.3968 119.9015 60.0280 32.1970 179.1337 119 I 3.7766 7.6596 118.9804 64.4079 36.9772 178.4182 120 I 3.7454 7.5609 120.4273 64.5538 36.8180 177.9210 121 D 4.3566 7.7629 119.2602 57.6688 40.6771 178.7095 122 E 3.7252 8.2570 119.0699 59.1485 29.3418 178.7802 123 F 4.1850 8.4096 117.6571 60.7083 39.1430 177.3742 124 K 4.1496 8.4749 116.9245 59.3044 31.8181 179.1859 125 K 4.1566 9.1552 121.0466 59.6103 32.0985 178.6347 126 Q 4.3286 8.1940 115.5355 55.8386 28.7166 175.6782 127 Y 5.1009 8.3468 118.6060 57.5873 39.6325 175.8396 128 N 4.8209 9.2929 115.6020 52.7403 42.5517 173.2825 129 D 4.2946 8.6108 126.0653 57.4451 41.5657 177.1247 130 D 4.6353 9.6558 115.8144 54.5244 41.2495 176.7777 131 K 4.3416 8.0329 118.5207 56.0412 33.8289 175.5684 132 I 4.5374 7.5598 121.6874 59.8392 38.1177 175.1463 133 K 4.7274 9.4598 128.4626 54.7715 34.5464 175.7448 134 I 5.1371 8.0130 114.9245 59.6259 41.2486 174.3826 135 G 4.0902 8.1514 110.1685 43.9445 0.0000 172.2002 136 K 4.4369 8.2347 120.8134 54.1013 32.9555 176.0632 137 F 3.8173 8.7927 129.5872 59.6624 39.6010 175.1060 138 G 3.9479 8.6975 115.6956 45.3918 0.0000 172.3324 139 N 5.0750 7.2204 114.9169 50.6569 41.9734 173.7090 140 Y 3.9831 8.7001 121.7048 58.4844 39.1133 175.2759 141 M 4.7467 7.7582 126.4354 53.5043 34.8343 174.6903 142 N 4.8229 8.9193 120.8772 51.9038 41.7467 173.3998 143 I 5.4662 8.1190 125.6498 58.3556 40.3232 174.5229 144 D 4.5920 8.6467 128.0108 54.0635 41.9561 175.7649 145 V 4.7305 8.3798 122.6408 61.5870 34.6192 175.6794 146 T 4.4520 8.9328 125.5580 61.4630 68.3197 172.0715 147 N 4.5916 8.5392 121.6396 53.9340 39.3439 173.9482 148 D 4.3499 9.5793 125.0958 56.3246 41.4808 174.9310 149 G 3.7984 8.8509 116.5204 44.7646 0.0000 170.9923 150 P 4.7104 0.0000 0.0000 60.2674 33.2024 175.2068 151 V 4.5131 8.1094 118.1453 61.4943 34.1693 174.1277 152 T 5.3021 8.6594 123.7273 61.8927 71.7528 173.4099 153 I 4.7599 9.0614 126.2300 59.6125 41.4811 173.7566 154 Y 5.2834 8.6132 125.3759 55.9804 41.6902 174.4800 155 I 4.5193 7.9549 126.0731 59.3854 41.3254 173.8744 156 D 5.0658 8.2775 124.8860 52.4698 43.4766 176.3386 157 T 3.7343 8.9613 117.5577 64.6476 69.0566 176.4042 158 H 4.2306 8.2960 119.0474 58.6305 28.9562 176.5498 159 D 4.4088 7.7399 118.4695 56.9605 40.7700 176.5989 160 I 4.2188 6.8957 119.0016 59.9968 39.2137 175.5581 161 N 4.4968 8.1442 117.7898 53.6999 37.2410 174.0519 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 M 8.16 5.07 0.00 1.73 2.04 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.12 4.98 0.00 1.49 1.65 0.00 2.35 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 3 V 8.49 4.96 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 0.72 0.00 0.00 1.05 0.00 0.00 4 V 9.21 4.81 2.29 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 1.13 0.00 0.00 1.13 0.00 0.00 5 I 8.99 5.01 1.91 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 1.29 0.68 0.95 0.00 0.00 6 Q 8.96 5.73 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 7 R 8.47 4.58 0.00 1.59 1.62 0.00 2.21 0.00 0.00 2.56 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.84 0.00 8 V 8.98 4.96 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 0.81 0.00 0.00 1.07 0.00 0.00 9 K 9.07 4.19 0.00 1.73 1.85 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.41 7.81 10 G 7.59 4.57 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 0.00 11 A 7.73 5.05 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 12 I 8.50 4.79 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 1.11 0.65 0.91 0.00 0.00 13 L 8.39 5.15 0.00 1.64 1.47 0.90 0.78 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 14 S 9.72 5.27 0.00 3.73 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 15 V 8.47 4.79 2.14 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 0.84 0.00 0.00 0.99 0.00 0.00 16 R 8.63 4.19 0.00 1.86 1.93 0.00 3.20 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 *27 L 8.24 4.37 0.00 1.58 1.69 1.02 0.98 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 28 E 9.75 4.56 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 29 I 8.64 4.22 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 1.41 0.66 0.94 0.00 0.00 30 I 9.13 4.50 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 1.25 0.69 0.99 0.00 0.00 31 S 7.73 4.83 0.00 3.76 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 32 E 8.03 5.37 0.00 1.94 1.78 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 2.02 2.10 0.00 33 I 8.00 5.06 1.85 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 1.21 1.47 0.88 0.00 0.00 34 K 9.27 4.59 0.00 1.67 1.37 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.53 7.81 35 N 8.51 4.70 0.00 1.44 2.20 0.00 0.00 6.72 7.73 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 36 G 6.97 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 0.00 0.00 0.00 0.00 37 L 8.49 5.30 0.00 1.61 1.55 1.09 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.33 4.53 1.70 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 -0.18 1.29 0.88 0.00 0.00 39 C 8.90 5.08 0.00 2.80 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 40 F 9.27 5.10 0.00 3.08 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 9.38 5.18 0.00 1.89 1.74 1.17 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.99 4.67 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 0.00 0.00 0.00 43 I 8.46 5.15 2.01 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.00 0.84 0.00 0.00 44 H 9.00 3.62 0.00 2.50 3.12 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 6.95 3.65 0.00 1.46 1.71 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.46 7.81 46 N 7.80 4.78 0.00 2.75 2.82 0.00 0.00 6.90 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 47 D 7.39 4.43 0.00 2.34 2.30 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 48 T 8.72 4.78 4.39 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 1.27 0.00 0.00 49 W 8.86 4.41 0.00 3.46 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 50 E 8.34 3.92 0.00 2.08 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 2.50 2.40 0.00 51 D 8.60 4.41 0.00 3.11 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 52 A 8.13 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.60 3.50 0.00 1.62 1.52 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.94 3.81 0.00 3.06 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 55 I 7.52 3.60 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.84 0.99 0.00 0.00 56 I 7.40 2.73 1.37 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 1.06 0.01 0.00 0.00 57 R 7.81 3.79 0.00 1.75 1.82 0.00 2.96 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 58 K 7.53 3.84 0.00 1.79 1.70 0.00 1.56 0.00 0.00 1.38 0.00 0.00 2.46 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.80 0.97 7.81 59 C 7.93 4.18 0.00 3.33 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 60 L 7.69 4.19 0.00 1.67 1.68 0.97 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.83 4.87 0.00 2.76 2.82 0.00 0.00 7.11 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.77 4.05 0.00 1.82 1.67 0.91 0.70 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 63 R 8.54 4.77 0.00 1.99 2.13 0.00 3.14 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.73 0.00 64 L 8.30 5.02 0.00 1.14 1.52 0.87 1.02 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 65 W 8.47 4.74 0.00 3.56 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 66 N 8.40 4.86 0.00 2.72 2.67 0.00 0.00 6.41 6.92 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 67 N 8.07 4.89 0.00 2.63 2.85 0.00 0.00 7.24 8.59 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 68 D 8.65 4.48 0.00 2.81 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 69 N 7.67 4.76 0.00 2.68 2.80 0.00 0.00 6.93 7.61 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 70 K 7.67 4.16 0.00 1.97 1.96 0.00 1.60 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.70 7.81 71 T 8.32 4.49 3.57 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 1.01 0.00 0.00 72 W 7.48 4.11 0.00 3.43 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.80 4.94 0.00 2.91 2.64 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 74 K 8.97 5.01 0.00 1.74 1.60 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.46 7.81 75 N 10.73 5.86 0.00 3.05 3.15 0.00 0.00 6.61 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 76 V 8.88 3.78 2.46 0.00 0.00 0.00 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 1.23 0.00 0.00 77 K 8.72 3.95 0.00 1.72 1.57 0.00 1.17 0.00 0.00 0.86 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 0.82 7.81 78 D 7.57 4.32 0.00 2.58 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 79 L 7.18 3.91 0.00 0.27 0.13 0.12 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.31 4.16 0.00 2.77 2.77 0.00 0.00 7.08 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 81 Y 7.95 5.09 0.00 2.81 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 82 E 8.63 5.01 0.00 1.86 1.92 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 2.23 2.31 0.00 83 L 8.78 4.89 0.00 1.45 1.26 1.11 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 84 L 9.09 4.73 0.00 1.62 1.55 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.30 4.68 1.78 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.13 1.06 0.00 0.00 86 V 8.81 4.42 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 1.07 0.00 0.00 0.82 0.00 0.00 87 S 8.51 4.72 0.00 3.07 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 9.00 4.58 0.00 2.32 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 89 F 8.75 4.52 0.00 3.36 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 90 T 6.90 3.22 3.94 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 0.24 0.00 0.00 91 L 7.45 4.01 0.00 1.47 1.49 1.05 0.95 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 92 F 8.61 4.78 0.00 3.25 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 93 G 8.16 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 94 N 9.33 4.90 0.00 2.79 2.68 0.00 0.00 6.30 7.07 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 95 T 8.01 4.92 4.18 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 1.12 0.00 0.00 96 K 8.96 4.06 0.00 1.71 1.89 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.56 7.81 97 K 7.83 4.32 0.00 1.68 1.70 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.40 7.81 98 G 8.05 4.01 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 0.00 0.00 0.00 99 N 8.94 4.81 0.00 2.65 2.79 0.00 0.00 6.74 7.61 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 0.00 100 K 7.92 4.14 0.00 1.69 1.67 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.45 7.81 101 P 0.00 4.21 0.00 1.01 1.70 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 102 D 8.34 4.42 0.00 2.69 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 0.00 0.00 0.00 103 F 8.14 5.29 0.00 3.38 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 0.00 104 H 8.40 4.32 0.00 3.35 3.42 0.00 5.65 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.15 4.22 0.00 1.92 1.83 1.06 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.16 4.37 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 0.00 107 K 8.39 4.01 0.00 1.80 1.69 0.00 1.61 0.00 0.00 1.48 0.00 0.00 2.69 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.26 7.81 108 E 9.08 3.92 0.00 2.08 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 2.47 2.36 0.00 109 P 0.00 4.38 0.00 2.16 2.15 0.00 3.87 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 2.10 2.04 0.00 110 N 8.15 4.44 0.00 2.92 2.85 0.00 0.00 7.03 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 0.00 111 E 8.73 4.10 0.00 2.09 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 2.35 2.45 0.00 112 A 8.59 4.12 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 0.00 0.00 0.00 0.00 0.00 113 L 8.37 2.44 0.00 1.29 1.62 0.41 0.34 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 0.00 114 I 7.57 3.97 1.86 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 1.40 0.92 1.01 0.00 0.00 115 F 8.28 4.17 0.00 3.49 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 0.00 116 Y 9.18 4.31 0.00 3.41 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.83 4.18 0.00 2.90 2.86 0.00 0.00 7.06 7.16 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 0.00 118 K 8.40 3.86 0.00 1.92 1.85 0.00 1.39 0.00 0.00 0.77 0.00 0.00 2.72 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.24 1.39 7.81 119 I 7.66 3.78 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.59 0.93 0.00 0.00 120 I 7.56 3.75 1.90 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.42 0.86 0.00 0.00 121 D 7.76 4.36 0.00 2.84 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 0.00 122 E 8.26 3.73 0.00 2.50 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 2.47 2.35 0.00 123 F 8.41 4.19 0.00 3.34 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 0.00 124 K 8.47 4.15 0.00 1.97 1.90 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.19 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.46 7.81 125 K 9.16 4.16 0.00 1.74 1.93 0.00 1.67 0.00 0.00 1.98 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 126 Q 8.19 4.33 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 127 Y 8.35 5.10 0.00 2.95 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 0.00 128 N 9.29 4.82 0.00 2.50 1.73 0.00 0.00 6.49 8.49 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 0.00 129 D 8.61 4.29 0.00 2.63 2.64 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 0.00 130 D 9.66 4.64 0.00 2.67 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.03 4.34 0.00 0.86 1.53 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.18 0.99 7.81 132 I 7.56 4.54 1.82 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 1.31 0.95 0.75 0.00 0.00 133 K 9.46 4.73 0.00 1.78 1.67 0.00 1.45 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.39 7.81 134 I 8.01 5.14 2.07 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 1.19 0.72 0.92 0.00 0.00 135 G 8.15 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 0.00 136 K 8.23 4.44 0.00 1.82 1.72 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.45 7.81 137 F 8.79 3.82 0.00 2.95 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 0.00 138 G 8.70 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 0.00 139 N 7.22 5.07 0.00 2.85 2.74 0.00 0.00 6.84 7.34 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 0.00 140 Y 8.70 3.98 0.00 2.95 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 0.00 141 M 7.76 4.75 0.00 1.80 1.77 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 2.44 2.46 0.00 142 N 8.92 4.82 0.00 2.89 2.69 0.00 0.00 7.00 7.99 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 0.00 143 I 8.12 5.47 1.92 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 1.34 0.33 0.98 0.00 0.00 144 D 8.65 4.59 0.00 2.61 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 0.00 145 V 8.38 4.73 2.14 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 0.87 0.00 0.00 1.01 0.00 0.00 146 T 8.93 4.45 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 1.22 0.00 0.00 147 N 8.54 4.59 0.00 2.62 2.80 0.00 0.00 7.02 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 0.00 148 D 9.58 4.35 0.00 2.88 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 0.00 149 G 8.85 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.71 0.00 2.20 2.07 0.00 3.33 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 151 V 8.11 4.51 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 1.13 0.00 0.00 1.01 0.00 0.00 152 T 8.66 5.30 4.26 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 1.35 0.00 0.00 153 I 9.06 4.76 1.89 0.00 0.00 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 1.11 0.97 0.91 0.00 0.00 154 Y 8.61 5.28 0.00 2.90 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 I 7.95 4.52 1.81 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 1.15 0.52 1.05 0.00 0.00 156 D 8.28 5.07 0.00 2.57 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.96 3.73 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 1.35 0.00 0.00 158 H 8.30 4.23 0.00 3.30 3.41 0.00 5.85 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.74 4.41 0.00 2.72 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 0.00 160 I 6.90 4.22 1.40 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.26 0.75 0.00 0.00 161 N 8.14 4.50 0.00 2.73 2.67 0.00 0.00 5.76 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.