NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.5566 8.3493 120.1909 53.4672 41.8087 175.1056 5 P 4.4670 0.0000 0.0000 61.4560 32.5808 174.3208 6 M 4.2210 9.1801 120.4530 55.6405 33.8313 178.3268 7 I 3.8947 8.4066 123.5207 61.5298 36.9625 174.1621 8 I 4.7076 7.9830 119.8798 58.3357 38.6005 175.2997 9 R 4.9683 7.7461 125.5220 53.0641 34.5219 175.4595 10 G 3.8985 8.9056 110.2926 46.4696 0.0000 172.2757 11 I 5.2374 8.8074 121.5441 59.5166 41.3521 174.6280 12 R 4.5011 9.3569 126.7730 55.7854 32.1477 172.8045 13 G 3.7751 9.0653 117.3521 45.2252 0.0000 172.3035 14 A 4.8437 8.3358 128.0243 50.1021 21.8806 176.8937 15 R 4.5527 8.0124 117.4706 54.4152 30.3991 175.3677 16 I 3.8699 8.3209 117.6684 61.4978 37.1788 175.7488 17 N 5.1141 7.8073 121.8174 51.7579 42.0166 175.8639 18 N 3.8990 7.9223 116.8106 56.1805 40.0950 175.2256 19 E 3.6898 7.9262 114.2937 59.3387 30.0577 179.3216 20 I 3.5683 7.6889 114.9232 62.9728 39.1298 177.2068 21 F 4.0127 8.4790 120.1370 58.8293 38.3342 176.7488 22 N 4.9056 9.0196 124.4642 53.2364 36.2655 176.0872 23 L 4.6342 7.6539 112.4276 56.2578 42.3538 177.1787 24 G 3.9532 8.4958 106.6463 45.7297 0.0000 174.3092 25 L 3.3472 7.0177 123.0339 55.0065 40.0939 176.8771 26 K 3.7067 6.0214 128.8478 55.1847 33.3494 178.0676 27 F 2.9587 6.0689 112.7639 56.7373 40.1331 173.7424 28 Q 4.5541 8.9505 125.8501 55.5762 30.7147 174.3191 29 I 5.1731 8.1528 116.5202 59.4888 40.9617 174.2066 30 L 4.7881 8.2823 124.8333 52.7845 45.4927 174.4566 31 N 4.9723 8.9375 118.9489 53.1786 39.0633 175.7854 32 A 4.1843 8.7309 129.0712 54.4082 18.3563 178.3436 33 D 4.4586 8.4943 115.1091 56.4466 41.0226 177.2221 34 V 4.4235 7.5249 118.2775 62.1892 32.1045 174.8978 35 V 4.1146 7.8489 117.6455 59.3297 32.2962 175.1068 36 A 4.0210 8.9873 128.9111 54.6036 18.8232 177.1304 37 T 4.5989 7.2471 102.3962 59.6240 71.5864 174.1677 38 K 4.1504 8.6353 119.2906 59.3098 31.7844 179.5517 39 K 3.9236 7.7369 117.9677 59.6856 31.9378 178.3438 40 H 4.0234 7.7085 117.2744 59.5509 29.7100 176.9485 41 V 3.5399 7.7694 118.9760 66.0974 31.2162 177.4624 42 L 4.1964 7.9492 119.9545 58.3719 41.7083 178.4742 43 H 4.2614 8.7229 118.5316 59.1128 29.9928 176.7242 44 A 4.0617 8.3722 122.9761 55.5016 18.2893 179.6881 45 I 3.7980 8.3514 111.6739 64.1353 37.5515 178.2849 46 N 4.4278 7.8158 117.0355 55.8227 38.0729 177.3201 47 Q 3.8739 8.4938 121.3645 59.1184 28.9979 177.9275 48 A 4.2168 8.2267 120.9751 55.0657 18.4298 179.1836 49 K 4.2856 7.8983 117.0435 58.5040 32.2783 177.5768 50 T 4.6699 7.5162 106.9764 60.7422 69.3737 173.4182 51 K 4.6069 7.5379 118.5506 54.2788 35.4750 175.9383 52 K 3.6706 8.7178 120.2776 56.3081 31.9034 174.4458 53 P 4.6605 0.0000 0.0000 62.0460 31.0364 176.1998 54 I 3.8883 8.5610 123.8449 62.2043 37.0680 175.5442 55 A 4.8448 7.7683 122.0101 50.1277 21.5711 176.5151 56 K 3.8534 8.6163 118.8399 57.2476 32.9300 177.9820 57 S 4.8022 7.5513 113.9557 55.5663 66.9300 174.2910 58 F 4.0317 9.0508 126.5196 61.7343 38.1873 177.6342 59 W 3.9766 8.1336 117.6611 59.4265 28.9116 177.5284 60 M 4.3345 7.9468 116.5871 57.0299 31.6267 177.7744 61 E 3.9817 7.9118 119.8708 59.4975 29.8431 178.1702 62 I 3.5117 7.1529 119.4281 64.4474 37.1370 177.8438 63 L 3.9603 7.3248 117.4181 58.5210 41.7720 179.6421 64 V 3.6923 7.1867 109.3188 64.1553 31.6337 178.7331 65 R 4.0335 8.4908 118.1562 59.3614 29.8260 178.9422 66 A 4.1853 7.9678 119.2494 55.1615 18.3650 179.5058 67 S 4.2841 7.9511 112.1727 59.3228 63.0246 174.9715 68 G 3.9171 8.5391 109.9153 45.8456 0.0000 172.9591 69 Q 4.5070 7.5650 118.2749 54.1921 32.4326 174.5087 70 R 3.9936 8.6704 124.6902 59.4932 30.3450 177.1948 71 Q 4.0742 7.2216 116.6231 56.9289 29.6691 177.9936 72 I 3.8143 8.3563 121.9717 64.2414 37.5708 178.1463 73 H 4.0834 8.0765 117.4716 59.0029 29.8095 176.3670 74 E 4.1126 8.1966 120.2175 58.3836 29.5604 178.3432 75 A 4.0325 7.4127 121.0010 55.2880 18.5517 179.6824 76 I 3.6951 7.7233 118.1750 64.2128 36.8612 178.5410 77 K 3.9835 7.5473 118.9170 58.6108 32.0230 177.8331 78 I 4.3689 7.5725 111.0537 60.9845 39.2797 175.7251 79 I 4.5435 7.9426 117.5271 59.6943 39.3482 175.0532 80 G 3.9170 7.8584 108.4787 46.0224 0.0000 173.5896 81 A 4.2309 8.5681 126.4051 52.1066 18.9757 176.8242 82 K 4.7217 8.1893 119.6777 54.7507 35.9216 175.6431 83 D 4.3562 8.6546 119.1302 55.3085 41.9271 173.6429 84 G 3.9988 8.5241 113.0793 44.4414 0.0000 173.3682 85 N 5.5558 8.7573 114.7047 51.0677 41.9424 175.3380 86 V 5.0288 8.6911 113.3018 60.1655 37.0027 174.1673 87 C 4.8983 8.7014 117.7125 55.9491 30.1785 172.0887 88 L 4.2576 8.5062 128.2042 55.7193 43.1013 175.1984 89 I 5.3625 8.8810 126.6564 59.3464 39.6312 174.7941 90 C 4.8031 8.5144 122.0667 59.2883 32.2036 173.0066 91 E 4.4587 9.1060 115.1734 57.7165 31.9012 176.1833 92 D 4.9734 7.7135 116.7807 52.0444 44.3909 176.2816 93 E 3.8737 8.7998 126.3811 59.1324 29.7269 178.4213 94 E 4.3646 8.0508 115.9241 57.7288 29.7580 178.1733 95 T 3.8339 7.7398 110.9667 64.4379 68.8188 176.2605 96 F 3.8506 7.9680 123.7032 61.0304 39.4319 177.0161 97 R 3.8682 7.7364 118.4939 59.3015 29.6258 178.5588 98 K 3.8996 7.7633 117.7653 59.6433 32.1145 179.4025 99 I 3.7143 7.0126 120.3697 64.3465 37.0034 177.8364 100 Y 4.0484 7.7377 120.4113 60.5309 38.1862 178.1302 101 E 3.8118 7.9158 119.0833 58.9768 29.6046 178.9887 102 L 4.0773 7.1903 118.3083 57.7565 42.1226 177.9796 103 I 4.2335 7.5742 110.1403 60.2308 39.3964 173.8161 104 G 4.1173 8.1463 109.2147 45.2011 0.0000 173.1098 105 G 4.5313 8.3961 110.5207 44.4367 0.0000 172.6449 106 E 4.6813 8.1347 117.3071 54.5943 31.2838 176.5326 107 I 4.1092 8.4341 123.8609 62.0669 37.8421 175.5420 108 D 4.5450 9.4269 127.8558 52.9064 42.7842 175.4738 109 D 4.5326 8.8414 126.5228 56.0220 41.2013 178.4706 110 S 4.8105 8.3203 112.2343 58.8485 63.5533 175.1849 111 V 3.9790 7.3213 120.1345 62.8605 32.0146 177.5898 112 L 4.1149 7.6163 120.8193 57.6810 41.7136 177.7326 113 E 4.2435 7.8561 115.7852 55.5857 30.3501 175.6587 114 I 3.9428 8.0495 120.8605 60.7659 37.5932 175.8366 115 N 4.7022 8.4489 126.0055 52.5325 39.7059 175.2543 116 E 4.1252 8.5399 118.6178 59.2574 30.1753 178.0041 117 D 4.5099 8.1766 118.7836 57.3850 41.1883 178.5177 118 K 4.0174 8.2354 118.3863 59.5819 32.0835 178.8712 119 E 4.1640 7.5404 111.9402 57.5376 29.5203 177.4523 120 R 4.4519 7.7722 117.3571 58.2510 31.8565 178.2726 121 L 4.0513 7.7193 119.0152 58.7642 40.1286 178.8303 122 I 3.7478 9.0065 120.6576 63.3595 37.5188 177.1683 123 R 4.5111 7.7303 114.1260 56.5478 29.6443 177.6192 124 E 4.0275 7.9580 121.0456 58.9955 29.8826 177.5426 125 I 4.2950 7.5417 109.2625 61.0180 38.2788 175.8539 126 F 4.4772 7.7193 117.1059 56.5103 40.2822 175.6341 127 K 3.8144 7.7257 118.3003 57.5376 29.7509 176.7903 *134 V 4.0686 7.7917 116.4050 61.1830 32.9014 175.8538 135 V 4.2834 7.6921 111.5458 61.1002 34.0651 175.8767 136 E 4.4392 7.8718 117.6854 56.7680 31.5537 177.8611 137 R 3.8784 8.0326 118.6962 59.3417 30.0624 178.1297 138 V 3.5749 7.7411 117.4687 66.2801 31.3747 177.8933 139 L 3.9877 7.6235 118.1455 57.5827 41.3969 179.1951 140 E 4.1107 7.9957 116.9135 58.6595 29.5720 178.9243 141 K 3.9835 7.7922 119.9875 59.6239 32.1383 178.5761 142 I 3.9091 7.8860 119.5497 64.1983 36.7344 178.3430 143 A 4.3852 7.8514 122.5059 54.2656 18.6075 178.7802 144 L 4.3246 7.8665 115.2269 54.9678 41.7820 178.3022 145 I 3.8268 7.1389 119.3141 62.5300 38.3958 174.9626 146 E 4.8121 8.1577 116.8423 56.3680 29.8406 175.8976 147 L 4.3335 7.8144 123.5851 56.1788 42.7768 176.7955 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 4 D 8.35 4.56 0.00 2.64 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 5 P 0.00 4.47 0.00 2.30 2.03 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 6 M 9.18 4.22 0.00 2.07 2.13 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 2.73 2.62 0.00 7 I 8.41 3.89 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.08 0.32 0.00 0.00 8 I 7.98 4.71 1.89 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 1.63 1.57 0.97 0.00 0.00 9 R 7.75 4.97 0.00 1.62 1.74 0.00 3.22 0.00 0.00 3.11 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.30 0.00 10 G 8.91 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 11 I 8.81 5.24 1.94 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 1.29 1.17 1.06 0.00 0.00 12 R 9.36 4.50 0.00 1.72 1.86 0.00 3.39 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 13 G 9.07 3.78 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 0.00 14 A 8.34 4.84 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.01 4.55 0.00 1.79 1.82 0.00 3.37 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 16 I 8.32 3.87 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 1.33 0.79 1.03 0.00 0.00 17 N 7.81 5.11 0.00 2.81 2.70 0.00 0.00 7.14 8.00 0.00 0.00 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 N 7.92 3.90 0.00 2.72 2.78 0.00 0.00 6.97 7.65 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 19 E 7.93 3.69 0.00 2.19 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 0.00 2.40 2.34 0.00 20 I 7.69 3.57 1.67 0.00 0.00 0.40 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 0.34 0.85 0.00 0.00 21 F 8.48 4.01 0.00 3.15 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 22 N 9.02 4.91 0.00 2.85 2.92 0.00 0.00 5.71 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 23 L 7.65 4.63 0.00 1.68 1.71 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.50 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 25 L 7.02 3.35 0.00 1.56 1.54 0.84 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 26 K 6.02 3.71 0.00 1.56 1.54 0.00 1.75 0.00 0.00 2.19 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.04 0.68 7.81 27 F 6.07 2.96 0.00 2.93 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 28 Q 8.95 4.55 0.00 2.59 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 29 I 8.15 5.17 1.90 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 1.33 0.86 0.88 0.00 0.00 30 L 8.28 4.79 0.00 1.58 1.83 0.97 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.94 4.97 0.00 3.08 2.87 0.00 0.00 7.54 8.53 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 32 A 8.73 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.49 4.46 0.00 2.87 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 34 V 7.52 4.42 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 1.05 0.00 0.00 1.01 0.00 0.00 35 V 7.85 4.11 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 0.91 0.00 0.00 36 A 8.99 4.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.25 4.60 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 1.19 0.00 0.00 38 K 8.64 4.15 0.00 1.87 1.91 0.00 1.55 0.00 0.00 1.81 0.00 0.00 3.19 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.59 7.81 39 K 7.74 3.92 0.00 1.90 1.85 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 40 H 7.71 4.02 0.00 3.26 3.51 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.77 3.54 2.23 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 0.92 0.00 0.00 0.91 0.00 0.00 42 L 7.95 4.20 0.00 1.99 1.89 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.72 4.26 0.00 3.35 3.56 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.37 4.06 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 45 I 8.35 3.80 1.95 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 1.56 0.65 0.95 0.00 0.00 46 N 7.82 4.43 0.00 2.98 2.89 0.00 0.00 6.58 7.22 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 47 Q 8.49 3.87 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 48 A 8.23 4.22 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.90 4.29 0.00 2.26 1.97 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.37 1.27 7.81 50 T 7.52 4.67 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 1.20 0.00 0.00 51 K 7.54 4.61 0.00 1.87 1.71 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.61 7.81 52 K 8.72 3.67 0.00 1.74 1.82 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.49 7.81 53 P 0.00 4.66 0.00 2.05 2.10 0.00 3.73 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 54 I 8.56 3.89 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 1.35 0.75 0.97 0.00 0.00 55 A 7.77 4.84 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 56 K 8.62 3.85 0.00 1.79 1.89 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.38 7.81 57 S 7.55 4.80 0.00 4.16 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.05 4.03 0.00 2.98 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 59 W 8.13 3.98 0.00 3.49 3.25 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 60 M 7.95 4.33 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.77 0.00 61 E 7.91 3.98 0.00 2.18 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 62 I 7.15 3.51 1.87 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.07 0.87 0.00 0.00 63 L 7.32 3.96 0.00 1.73 1.88 0.95 1.04 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 64 V 7.19 3.69 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 0.79 0.00 0.00 0.95 0.00 0.00 65 R 8.49 4.03 0.00 1.76 1.97 0.00 3.29 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 66 A 7.97 4.19 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 67 S 7.95 4.28 0.00 4.03 4.27 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 68 G 8.54 3.92 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 0.00 69 Q 7.57 4.51 0.00 1.80 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 70 R 8.67 3.99 0.00 1.80 1.92 0.00 3.31 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 71 Q 7.22 4.07 0.00 2.35 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.49 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 72 I 8.36 3.81 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 1.52 1.05 0.90 0.00 0.00 73 H 8.08 4.08 0.00 3.11 3.32 0.00 5.92 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.20 4.11 0.00 2.04 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 0.00 2.37 2.30 0.00 75 A 7.41 4.03 1.38 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 0.00 0.00 76 I 7.72 3.70 1.81 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.19 0.88 0.00 0.00 77 K 7.55 3.98 0.00 1.94 2.00 0.00 1.76 0.00 0.00 1.90 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 78 I 7.57 4.37 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.93 0.89 0.00 0.00 79 I 7.94 4.54 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.81 0.98 0.00 0.00 80 G 7.86 3.92 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 0.00 81 A 8.57 4.23 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 82 K 8.19 4.72 0.00 1.84 1.78 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.48 7.81 83 D 8.65 4.36 0.00 2.70 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 84 G 8.52 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.76 5.56 0.00 2.73 2.88 0.00 0.00 5.69 7.68 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 86 V 8.69 5.03 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 0.83 0.00 0.00 0.97 0.00 0.00 87 C 8.70 4.90 0.00 3.00 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 88 L 8.51 4.26 0.00 1.88 1.78 0.67 0.96 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 89 I 8.88 5.36 2.31 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 2.04 1.23 0.00 0.00 90 C 8.51 4.80 0.00 2.85 2.71 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 0.00 0.00 0.00 0.00 91 E 9.11 4.46 0.00 2.08 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 0.00 2.64 2.80 0.00 92 D 7.71 4.97 0.00 2.78 2.51 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 0.00 0.00 0.00 0.00 93 E 8.80 3.87 0.00 2.08 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 2.34 2.42 0.00 94 E 8.05 4.36 0.00 2.28 2.20 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 2.32 2.42 0.00 95 T 7.74 3.83 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 1.33 0.00 0.00 96 F 7.97 3.85 0.00 2.96 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 97 R 7.74 3.87 0.00 1.99 2.14 0.00 3.21 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 98 K 7.76 3.90 0.00 1.95 1.85 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.48 7.81 99 I 7.01 3.71 1.66 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 1.56 1.31 0.82 0.00 0.00 100 Y 7.74 4.05 0.00 2.00 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 0.00 101 E 7.92 3.81 0.00 2.14 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 102 L 7.19 4.08 0.00 1.70 1.68 0.93 0.82 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 0.00 103 I 7.57 4.23 1.92 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 1.40 0.49 0.93 0.00 0.00 104 G 8.15 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.40 4.53 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 0.00 0.00 0.00 106 E 8.13 4.68 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 2.43 2.32 0.00 107 I 8.43 4.11 1.82 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.06 0.85 0.00 0.00 108 D 9.43 4.55 0.00 2.71 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.84 4.53 0.00 2.77 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 0.00 110 S 8.32 4.81 0.00 3.98 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 0.00 111 V 7.32 3.98 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 0.81 0.00 0.00 0.95 0.00 0.00 112 L 7.62 4.11 0.00 1.80 1.77 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 113 E 7.86 4.24 0.00 2.14 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 2.45 2.29 0.00 114 I 8.05 3.94 1.83 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 1.39 0.79 0.88 0.00 0.00 115 N 8.45 4.70 0.00 2.83 2.76 0.00 0.00 6.74 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 0.00 116 E 8.54 4.13 0.00 1.92 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 2.29 2.27 0.00 117 D 8.18 4.51 0.00 2.78 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 0.00 118 K 8.24 4.02 0.00 1.84 1.83 0.00 1.56 0.00 0.00 1.97 0.00 0.00 3.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.54 7.81 119 E 7.54 4.16 0.00 2.25 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 2.54 2.28 0.00 120 R 7.77 4.45 0.00 1.95 1.97 0.00 3.20 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 121 L 7.72 4.05 0.00 1.94 1.94 0.96 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 122 I 9.01 3.75 1.86 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 1.16 1.18 0.86 0.00 0.00 123 R 7.73 4.51 0.00 2.15 2.14 0.00 3.18 0.00 0.00 3.28 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 124 E 7.96 4.03 0.00 2.16 2.25 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 2.35 2.34 0.00 125 I 7.54 4.29 1.91 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.06 0.96 0.00 0.00 126 F 7.72 4.48 0.00 3.18 3.12 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 0.00 0.00 0.00 127 K 7.73 3.81 0.00 1.96 1.92 0.00 1.76 0.00 0.00 1.92 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.50 7.81 *134 V 7.79 4.07 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 0.76 0.00 0.00 0.91 0.00 0.00 135 V 7.69 4.28 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 0.73 0.00 0.00 0.90 0.00 0.00 136 E 7.87 4.44 0.00 1.97 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 2.26 2.22 0.00 137 R 8.03 3.88 0.00 1.90 1.91 0.00 3.26 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 138 V 7.74 3.57 1.84 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 0.51 0.00 0.00 0.41 0.00 0.00 139 L 7.62 3.99 0.00 1.68 1.25 0.79 0.66 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 0.00 140 E 8.00 4.11 0.00 2.20 2.20 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 2.53 2.38 0.00 141 K 7.79 3.98 0.00 1.90 2.28 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.19 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.66 7.81 142 I 7.89 3.91 2.20 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.19 0.99 0.00 0.00 143 A 7.85 4.39 1.43 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 0.00 0.00 144 L 7.87 4.32 0.00 1.75 1.71 0.97 0.76 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 0.00 145 I 7.14 3.83 2.05 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 1.57 0.74 0.93 0.00 0.00 146 E 8.16 4.81 0.00 2.08 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 2.19 2.23 0.00 147 L 7.81 4.33 0.00 1.57 1.53 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.