NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7380 8.4249 118.1253 53.0574 40.8142 174.7614 2 C 4.7061 7.7029 113.1385 54.4432 43.9273 171.9763 3 L 4.3063 8.5852 122.3140 53.4438 42.9479 174.7382 4 P 4.3606 0.0000 0.0000 64.7287 31.5234 175.9608 5 D 4.5812 9.1158 120.5849 54.8548 39.1794 173.0966 6 W 5.0908 7.9723 115.1160 54.4289 32.2124 175.7572 7 S 4.6886 9.7348 121.5793 58.5412 63.8608 173.3560 8 V 5.0965 8.0948 121.8694 61.6818 33.9448 174.4864 9 Y 4.4485 9.1821 122.4685 58.6025 42.4049 173.9233 10 E 3.5560 9.7071 127.3704 57.4202 27.4365 175.7145 11 G 3.6097 8.0066 102.9638 45.8724 0.0000 172.6709 12 Y 5.2210 8.0286 116.5303 56.0638 42.4344 173.7438 13 C 5.7104 8.9033 119.1500 55.6582 39.3230 172.6115 14 Y 5.5295 9.6988 120.2813 56.2462 41.7167 174.4129 15 K 4.3429 8.4952 123.9746 54.3802 35.6124 174.9109 16 V 4.4066 7.7335 125.9218 61.3763 33.6667 174.7451 17 F 4.9910 8.9250 124.0458 55.8201 42.9572 175.6752 18 K 4.4025 8.5440 119.1405 56.5027 32.6205 176.9292 19 E 4.2430 8.3305 119.4229 56.4426 31.1125 176.0492 20 R 4.4265 8.2743 119.8987 54.9116 32.2287 175.0659 21 M 5.0899 8.3236 122.6640 53.1675 37.1128 175.1187 22 N 6.1338 8.7177 116.8578 51.4329 38.7490 175.3339 23 W 2.6670 7.8365 127.1065 60.4301 30.3553 177.5525 24 A 3.8682 8.1464 119.4733 55.7549 17.8398 179.2817 25 D 4.2963 9.3333 117.2800 57.2262 40.7804 178.8730 26 A 4.2806 8.1222 121.5446 55.2030 18.3450 179.2061 27 E 3.5294 7.6774 117.6598 59.1375 29.7604 178.7885 28 K 3.7552 7.7374 119.5379 59.5701 32.0284 178.2673 29 F 4.0455 8.4525 119.6223 61.4430 39.4515 176.1358 30 C 4.0576 8.2214 116.2861 60.2429 39.8660 176.1155 31 T 3.9492 7.5888 111.2706 64.1496 68.0245 175.8737 32 K 4.0311 7.3896 119.7539 58.7779 32.1636 178.9153 33 Q 4.0482 7.5779 118.1801 58.2222 29.1844 175.7592 34 H 4.4639 7.0332 115.9957 54.6535 32.6379 172.7634 35 K 4.0473 8.1324 122.9402 57.8543 32.3020 176.6465 36 D 4.3561 8.6925 119.9499 55.0137 38.8674 173.9105 37 G 3.9664 7.5401 106.5570 46.5165 0.0000 173.0751 38 H 5.2616 8.8333 118.7796 53.8306 34.1997 172.7390 39 L 4.4359 8.3355 119.7699 54.8150 42.0600 178.2723 40 V 3.7969 9.0130 122.9005 62.2164 32.2610 175.3626 41 S 4.7494 8.3250 116.3638 56.3098 65.6225 173.2010 42 F 5.6714 8.5725 120.1838 56.4145 41.3741 175.2844 43 R 4.7208 10.2542 123.5531 55.2938 31.7189 174.8764 44 N 4.4682 8.5322 115.5585 55.1156 36.6154 174.4008 45 S 4.6944 8.4157 109.0128 58.6679 63.0403 174.4808 46 K 4.0593 8.7502 117.5677 58.0524 29.3101 178.4991 47 E 4.4917 8.6379 120.7207 60.0501 29.4313 177.8592 48 V 2.6813 7.9069 116.8745 66.2557 30.9023 177.1783 49 D 4.4730 8.0095 117.0794 57.8908 40.6654 178.6553 50 F 4.0176 7.8346 121.7756 60.6968 39.0794 177.0359 51 V 3.1969 9.0763 117.7822 66.0602 31.1001 178.0774 52 I 3.5681 8.1325 111.8613 62.8921 37.4992 177.4012 53 S 4.4012 8.8876 116.1422 58.9454 63.1956 175.4524 54 L 4.2179 8.3320 120.2860 56.0762 43.6558 177.4390 55 A 4.2809 6.3691 121.1171 52.7460 19.0061 178.6914 *56 F 4.5935 7.5777 116.7196 58.9732 42.6303 177.6182 57 P 3.9089 0.0000 0.0000 65.0526 31.1709 176.5535 58 M 4.4310 7.7278 116.7735 54.7242 32.1813 175.0849 59 L 4.7053 8.4893 121.2818 52.8277 45.4549 176.8524 60 K 3.7976 8.8326 122.5313 57.7337 32.1384 176.8070 61 N 4.0801 7.6302 109.7368 55.0846 38.1206 172.3893 62 D 4.6519 8.3735 120.5308 52.8752 41.8101 176.7847 63 L 5.1472 9.0433 122.8947 51.6639 43.3152 175.9543 64 V 4.7516 7.8085 116.0593 58.7896 34.8467 175.2305 65 W 4.9847 8.9389 124.0374 57.0689 29.7936 175.6703 66 I 4.5055 8.6195 123.2698 58.6112 39.1458 177.2556 67 G 3.9679 8.4374 117.2492 44.8393 0.0000 174.5485 68 L 4.3595 7.9200 120.6659 53.9008 45.6992 175.2406 69 T 3.9197 8.0493 122.2435 59.3358 67.6523 173.9318 70 D 4.3511 7.2855 135.0000 53.7425 38.6300 176.6085 *71 Y 3.5690 6.9954 118.1473 55.8131 38.1562 177.8362 72 W 4.0109 7.2639 123.3932 56.4824 29.4801 175.7150 73 R 4.9373 8.1894 116.8827 54.2467 32.1640 175.9819 74 D 4.7434 8.8156 118.1613 57.2735 41.1811 178.4022 75 C 4.1791 8.3514 118.5284 61.7188 31.5055 173.3468 76 N 4.8867 8.0386 112.9533 52.4147 39.5306 173.4976 77 W 5.1026 7.9335 114.3530 55.5078 32.9875 174.0385 78 E 4.5753 8.2688 117.5507 54.9991 31.9625 174.7609 79 W 4.6929 8.3544 119.6830 56.2889 29.8699 178.1266 80 S 4.3087 9.0019 116.5605 60.8933 62.7899 174.5037 81 D 4.6643 8.3614 119.4241 52.6892 39.2066 176.9733 82 G 3.9277 8.2106 105.4741 46.3386 0.0000 174.4250 83 A 4.2427 8.5564 122.8917 51.5196 18.9778 178.1886 84 Q 4.2435 8.5517 120.3844 56.2432 29.7946 177.2918 85 L 4.6460 8.2155 124.8532 53.8008 41.1138 175.2033 86 D 4.2748 8.0064 121.3318 54.6963 39.4885 177.6658 87 Y 4.0492 8.8102 116.9496 57.1507 40.0689 175.2428 88 K 4.0831 7.4786 124.3412 54.9510 35.4476 175.5602 89 A 4.4834 7.7503 122.9883 51.4547 19.7369 176.1885 90 W 4.4694 7.4044 115.4501 56.8345 29.4755 175.2547 91 D 4.6198 8.6180 119.5839 54.2984 40.3363 175.8642 92 N 4.5840 8.7831 123.3635 55.2674 39.1834 177.2441 93 E 4.0635 8.5977 118.1728 58.5117 29.8011 177.3990 94 R 3.8240 7.0633 112.0762 57.2486 30.0747 176.1926 95 H 4.4658 8.8990 115.7154 55.5083 26.5100 175.2301 96 C 4.2485 8.0554 118.2280 56.4489 35.3753 173.5567 97 F 5.2211 9.2678 122.9860 58.2549 39.9632 174.4237 98 I 4.8796 8.5723 120.5315 60.4825 42.4715 172.9041 99 Y 4.7050 8.7366 126.3563 55.9095 40.9780 174.4903 100 K 4.6746 8.3191 127.0356 54.9264 33.4267 177.2352 101 N 4.7052 12.0000 124.6044 56.4877 38.7485 178.0208 102 T 3.9410 7.9881 106.8193 64.0230 68.9185 174.4529 103 D 4.5442 7.7828 119.6162 53.4427 42.1420 175.7247 104 N 4.1203 7.5675 116.0384 52.8099 36.6164 172.1190 105 Q 4.1766 6.1924 117.6387 55.2773 33.1299 173.6466 106 W 4.9537 8.3694 122.7696 56.9960 30.7900 175.5384 107 T 4.4294 8.6755 115.2212 63.0914 72.9407 173.0302 108 R 5.2160 8.4657 122.8656 54.9994 32.2096 175.6013 109 R 4.7778 9.0547 122.3423 54.5783 34.8916 173.2125 110 D 4.7357 9.1011 121.4778 55.1704 41.4047 178.2699 111 C 4.6076 10.3373 124.3232 59.8914 40.4273 175.7629 112 T 3.8885 7.5573 114.9372 65.0323 68.4396 174.7557 113 W 5.1136 8.1399 121.9599 56.3419 31.2213 174.8655 114 T 5.1300 7.9539 110.3350 60.6677 70.4744 173.7769 115 F 4.5688 8.6425 120.7187 56.2212 44.3274 173.9007 116 S 5.1515 8.4183 116.0932 58.3813 64.4320 173.0074 117 F 5.4495 8.8084 113.3875 56.1125 41.6959 173.7382 118 V 4.7793 8.6350 119.3864 61.6212 34.0464 175.3539 119 C 5.1930 8.9727 125.5358 56.5990 41.6220 172.8905 120 K 5.3197 9.5340 121.9170 55.3480 35.8491 174.5779 121 C 5.1947 8.4120 120.9158 55.9046 33.1744 171.3215 122 P 5.0211 0.0000 0.0000 62.0285 31.7353 176.3299 123 A 4.0713 8.5632 126.8109 52.5560 18.2174 176.9756 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 N 8.42 4.74 0.00 2.75 2.95 0.00 0.00 6.71 6.78 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 2 C 7.70 4.71 0.00 3.15 2.99 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 3 L 8.59 4.31 0.00 1.23 1.53 0.82 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.36 0.00 2.13 2.08 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 5 D 9.12 4.58 0.00 2.87 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 6 W 7.97 5.09 0.00 3.33 3.17 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 7 S 9.73 4.69 0.00 4.10 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 0.00 8 V 8.09 5.10 2.17 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 0.83 0.00 0.00 1.04 0.00 0.00 9 Y 9.18 4.45 0.00 1.89 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 10 E 9.71 3.56 0.00 1.78 1.67 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 1.47 1.86 0.00 11 G 8.01 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.03 5.22 0.00 3.09 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 13 C 8.90 5.71 0.00 2.83 3.18 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 14 Y 9.70 5.53 0.00 3.07 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 15 K 8.50 4.34 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.68 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.30 0.48 7.81 16 V 7.73 4.41 1.88 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 0.84 0.00 0.00 0.81 0.00 0.00 17 F 8.92 4.99 0.00 3.26 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.54 4.40 0.00 1.85 1.86 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.42 7.81 19 E 8.33 4.24 0.00 2.43 1.87 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 2.19 2.40 0.00 20 R 8.27 4.43 0.00 1.53 1.69 0.00 3.08 0.00 0.00 2.98 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.43 0.00 21 M 8.32 5.09 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 22 N 8.72 6.13 0.00 3.30 3.11 0.00 0.00 6.32 8.88 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 23 W 7.84 2.67 0.00 2.29 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 24 A 8.15 3.87 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 25 D 9.33 4.30 0.00 2.74 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 26 A 8.12 4.28 1.52 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 0.00 0.00 27 E 7.68 3.53 0.00 1.17 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.13 0.00 28 K 7.74 3.76 0.00 1.98 1.93 0.00 1.53 0.00 0.00 1.53 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.47 7.81 29 F 8.45 4.05 0.00 2.91 3.08 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 30 C 8.22 4.06 0.00 3.07 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 31 T 7.59 3.95 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 1.17 0.00 0.00 32 K 7.39 4.03 0.00 1.67 1.75 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.61 7.81 33 Q 7.58 4.05 0.00 2.22 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.68 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 34 H 7.03 4.46 0.00 2.87 2.81 0.00 5.87 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 35 K 8.13 4.05 0.00 1.66 1.66 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.43 7.81 36 D 8.69 4.36 0.00 2.79 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 37 G 7.54 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 0.00 0.00 0.00 38 H 8.83 5.26 0.00 3.00 3.06 0.00 5.63 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.34 4.44 0.00 1.44 1.66 0.21 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 40 V 9.01 3.80 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.48 0.00 0.00 41 S 8.32 4.75 0.00 3.90 3.74 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 42 F 8.57 5.67 0.00 3.46 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 43 R 10.25 4.72 0.00 1.81 2.03 0.00 3.32 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 1.69 1.65 0.00 44 N 8.53 4.47 0.00 3.08 3.00 0.00 0.00 7.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.42 4.69 0.00 4.06 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 46 K 8.75 4.06 0.00 2.14 2.08 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.63 7.81 47 E 8.64 4.49 0.00 2.52 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 0.00 2.75 2.76 0.00 48 V 7.91 2.68 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 1.10 0.00 0.00 0.68 0.00 0.00 49 D 8.01 4.47 0.00 2.75 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 50 F 7.83 4.02 0.00 2.27 2.90 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 51 V 9.08 3.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.10 0.00 0.00 52 I 8.13 3.57 1.68 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 1.69 0.66 0.36 0.00 0.00 53 S 8.89 4.40 0.00 3.82 4.05 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 54 L 8.33 4.22 0.00 0.69 1.49 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 55 A 6.37 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *56 F 7.58 4.59 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 3.91 0.00 1.95 2.09 0.00 3.61 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 2.12 1.97 0.00 58 M 7.73 4.43 0.00 1.89 1.94 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 59 L 8.49 4.71 0.00 1.54 1.51 1.00 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.83 3.80 0.00 1.73 1.85 0.00 1.91 0.00 0.00 1.85 0.00 0.00 2.72 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.42 7.81 61 N 7.63 4.08 0.00 2.75 2.79 0.00 0.00 6.89 8.12 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 62 D 8.37 4.65 0.00 2.71 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 63 L 9.04 5.15 0.00 1.63 1.18 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.81 4.75 2.17 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 0.87 0.00 0.00 1.05 0.00 0.00 65 W 8.94 4.98 0.00 3.35 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 66 I 8.62 4.51 2.11 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.64 0.91 0.00 0.00 67 G 8.44 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 0.00 0.00 0.00 68 L 7.92 4.36 0.00 1.52 1.15 -0.25 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.05 3.92 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 0.67 0.00 0.00 70 D 7.29 4.35 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *71 Y 7.00 3.57 0.00 2.37 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 0.00 0.00 0.00 72 W 7.26 4.01 0.00 1.78 1.74 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 73 R 8.19 4.94 0.00 2.02 1.99 0.00 3.00 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 74 D 8.82 4.74 0.00 2.92 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 75 C 8.35 4.18 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 76 N 8.04 4.89 0.00 2.67 2.49 0.00 0.00 6.96 7.83 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 77 W 7.93 5.10 0.00 3.45 3.08 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 78 E 8.27 4.58 0.00 2.06 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 2.25 2.30 0.00 79 W 8.35 4.69 0.00 3.60 3.17 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 80 S 9.00 4.31 0.00 4.05 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 0.00 81 D 8.36 4.66 0.00 2.80 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 82 G 8.21 3.93 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 0.00 0.00 0.00 83 A 8.56 4.24 1.21 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 84 Q 8.55 4.24 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.42 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 85 L 8.22 4.65 0.00 1.47 1.60 0.48 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.01 4.27 0.00 2.90 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.81 4.05 0.00 2.96 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 88 K 7.48 4.08 0.00 0.79 0.78 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.22 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.94 1.23 7.81 89 A 7.75 4.48 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 90 W 7.40 4.47 0.00 2.77 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 91 D 8.62 4.62 0.00 2.73 2.72 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 92 N 8.78 4.58 0.00 2.79 2.80 0.00 0.00 7.16 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 93 E 8.60 4.06 0.00 2.04 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 2.28 2.32 0.00 94 R 7.06 3.82 0.00 1.80 1.88 0.00 3.47 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.37 0.00 95 H 8.90 4.47 0.00 2.84 3.37 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 C 8.06 4.25 0.00 3.14 2.90 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 97 F 9.27 5.22 0.00 3.05 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 98 I 8.57 4.88 1.84 0.00 0.00 -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 0.77 0.54 0.60 0.00 0.00 99 Y 8.74 4.70 0.00 3.11 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 0.00 100 K 8.32 4.67 0.00 1.67 1.70 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.29 7.81 101 N 12.00 4.71 0.00 2.88 2.93 0.00 0.00 6.37 6.93 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 0.00 102 T 7.99 3.94 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 1.21 0.00 0.00 103 D 7.78 4.54 0.00 2.54 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 0.00 104 N 7.57 4.12 0.00 2.82 2.83 0.00 0.00 6.73 7.00 0.00 0.00 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 Q 6.19 4.18 0.00 1.86 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.90 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 106 W 8.37 4.95 0.00 2.93 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 0.00 107 T 8.68 4.43 4.16 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 1.19 0.00 0.00 108 R 8.47 5.22 0.00 1.75 1.96 0.00 3.41 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 109 R 9.05 4.78 0.00 1.97 1.95 0.00 3.35 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.16 0.00 110 D 9.10 4.74 0.00 2.31 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 0.00 0.00 0.00 111 C 10.34 4.61 0.00 3.17 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 0.00 112 T 7.56 3.89 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 1.19 0.00 0.00 113 W 8.14 5.11 0.00 3.62 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 0.00 114 T 7.95 5.13 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 1.23 0.00 0.00 115 F 8.64 4.57 0.00 1.51 2.43 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 0.00 116 S 8.42 5.15 0.00 3.95 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.81 5.45 0.00 3.29 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 0.00 118 V 8.63 4.78 2.19 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 1.02 0.00 0.00 1.01 0.00 0.00 119 C 8.97 5.19 0.00 3.15 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 0.00 120 K 9.53 5.32 0.00 1.63 1.51 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 0.48 7.81 121 C 8.41 5.19 0.00 3.03 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 0.00 122 P 0.00 5.02 0.00 2.04 2.28 0.00 3.71 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 2.11 2.24 0.00 123 A 8.56 4.07 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 * Residues marked with a * may have inaccurate shift predictions.