NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.2250 8.3144 121.7912 56.1472 33.1964 173.2674 8 V 4.1530 8.3132 117.3186 60.3860 33.6887 174.6066 9 L 4.5460 9.3126 131.9542 53.6496 43.2980 175.0262 10 K 4.4352 8.8091 127.3857 55.6610 33.5265 176.1575 11 I 5.0696 8.3951 125.2739 59.4484 40.1540 174.6432 12 Q 4.5609 9.4247 127.4959 54.2732 31.8885 173.7648 13 L 4.9144 8.6118 126.4796 53.6322 42.5247 176.5702 14 R 4.5041 9.3451 123.7947 57.0143 31.3663 176.3993 15 S 4.5071 7.7354 111.9790 56.8056 65.5467 175.0096 16 A 4.0987 8.5116 123.4244 54.7672 18.0335 178.7398 17 S 4.3121 7.7336 109.7946 59.4258 63.3602 174.4519 18 A 4.5260 7.4996 122.6859 51.5131 18.7819 176.8586 19 T 4.4329 8.0558 116.0937 61.0507 71.1936 174.6519 20 V 3.6504 8.3998 126.0585 62.5278 31.9727 173.7773 21 P 5.3715 0.0000 0.0000 62.7442 32.0028 175.6615 22 T 4.8218 8.7838 112.3243 60.2485 72.3010 173.8763 23 K 4.1501 8.3236 122.4818 55.1072 34.6031 176.5894 *25 S 4.3865 8.3894 115.4213 59.3809 63.1401 174.5407 26 A 4.5732 8.6089 124.3744 53.0361 20.7584 176.7175 27 T 4.3001 7.7366 102.8546 61.6795 69.9106 174.1949 28 A 3.6914 7.3927 124.0662 50.7377 19.5776 177.4931 29 A 4.0587 8.5834 125.2540 54.1286 18.8589 177.6930 30 G 4.2735 7.5597 100.4356 44.6532 0.0000 171.7693 31 Y 4.8603 8.6991 118.3508 55.8075 40.3913 175.4633 32 D 4.5880 9.4618 124.8324 54.8128 42.2940 175.3337 33 I 4.7967 8.4591 123.7106 59.8079 39.7833 174.1117 34 Y 5.2558 8.5846 123.6497 55.7533 40.8883 175.2284 35 A 4.7011 9.0208 125.9795 52.3812 19.5947 177.8447 36 S 4.8619 8.7572 113.2581 57.1498 64.2761 173.7604 37 Q 4.6339 7.8230 120.4638 54.7137 31.8640 173.6433 38 D 4.7511 8.6899 125.5711 55.1891 41.6902 175.5057 39 I 4.4147 8.7201 120.6527 60.4217 42.1388 172.9111 40 T 4.8978 8.3972 123.8779 61.8212 70.8957 173.7381 41 I 4.2365 8.8255 128.3285 59.7227 38.4840 173.8146 42 P 4.9394 0.0000 0.0000 62.0978 32.6065 175.7133 43 A 4.0147 9.3668 125.6799 53.8817 18.6604 177.0250 44 M 3.5166 8.1727 119.9883 54.8109 31.1233 177.2142 45 G 4.4084 8.2083 107.4735 45.4537 0.0000 171.7176 46 Q 5.1925 8.7216 119.0502 55.5080 32.2683 174.0623 47 G 4.1441 8.5504 105.2341 45.6842 0.0000 171.8659 48 M 5.1239 8.4776 120.2364 53.5522 34.2087 174.9972 49 V 4.1493 8.8293 127.4636 62.0761 33.3951 175.6349 50 S 4.9367 8.6638 123.4732 58.8671 63.9324 174.8921 51 T 4.6438 8.4138 109.0406 59.1390 70.4871 174.3392 52 D 4.4142 8.8075 120.9906 54.9738 39.2788 172.6347 53 I 5.2313 7.5034 110.4456 59.3247 41.2303 174.2893 54 S 5.0374 9.1545 118.8627 56.8557 66.9199 173.0503 55 F 6.0007 7.7516 115.1523 55.3284 41.3654 173.6541 56 T 4.6942 8.5506 116.4692 62.0183 70.5863 174.5518 57 V 4.2711 8.6114 119.8871 59.9569 32.9421 174.4206 58 P 4.3802 0.0000 0.0000 62.5900 32.5275 176.2619 59 V 3.4385 8.3944 121.6853 65.1895 31.7912 176.3560 60 G 4.0278 9.7024 114.6150 45.2619 0.0000 172.0341 61 T 5.9633 7.7344 108.3758 58.8887 72.4349 171.9705 62 Y 4.9325 8.5398 119.1626 55.2046 42.4893 174.1812 63 G 4.1746 9.3791 107.1609 44.9090 0.0000 172.8866 64 R 5.0189 8.3904 128.4447 54.6010 31.6945 175.5888 65 I 4.4889 8.8483 128.7077 61.2650 36.9343 175.2335 66 A 4.9903 8.9996 129.8217 48.9206 22.2400 173.7602 67 P 4.6241 0.0000 0.0000 62.5438 32.5457 176.4785 68 R 4.1175 8.4599 121.3939 55.9715 31.0924 177.6693 69 S 4.2176 8.9908 119.4635 61.7357 62.8836 177.0184 70 G 3.6616 8.0644 107.7147 48.0361 0.0000 175.5459 71 L 4.1370 7.8483 120.5769 56.8525 41.6903 179.3297 72 A 4.1958 7.5670 122.5175 54.7794 18.1880 179.9256 73 V 3.5308 7.4580 115.2711 65.8861 31.6927 177.9336 74 K 4.2471 8.3902 117.4076 58.0698 32.3087 177.4249 75 N 4.7845 7.7930 112.6680 51.9611 40.0028 174.5166 76 G 3.8746 7.9975 106.6406 46.5484 0.0000 173.0073 77 I 4.7112 7.3459 119.8941 59.6264 39.2937 174.6721 78 Q 4.7870 8.8685 127.5323 54.1060 32.3338 174.4214 79 T 4.4285 8.7988 116.8783 61.9799 69.6936 174.2496 80 G 4.1098 8.5810 113.0052 43.7736 0.0000 176.1228 81 A 3.6325 10.0501 124.6730 52.0271 18.3088 180.1682 82 G 4.0140 9.1353 111.3850 47.5849 0.0000 172.7040 83 V 4.3061 7.3645 118.8748 62.3072 30.9696 174.5937 84 V 3.9809 9.4494 127.6692 61.5275 32.3041 175.0092 85 D 4.9145 8.6184 128.1987 54.0734 41.6223 177.9248 86 R 4.0340 8.8672 120.9910 58.9878 30.2915 176.9556 87 D 4.7043 7.9883 114.7851 53.0388 39.9920 175.4667 88 Y 4.2861 7.8622 122.9844 58.0176 38.9514 175.0581 89 T 4.1655 7.7432 115.2841 60.9226 69.7619 174.1773 90 G 3.4872 5.5056 111.2241 44.3366 0.0000 172.6311 91 E 4.0187 8.3232 120.1874 55.9206 29.9648 176.6535 92 V 4.0337 8.5298 127.3993 62.5543 31.2763 175.0909 93 K 4.7586 8.5493 127.1200 54.7455 34.6778 176.0978 94 V 4.3021 8.8697 123.4688 61.2393 33.5734 174.7578 95 V 4.3595 8.2361 127.9903 62.1492 33.4023 174.4875 96 L 5.0175 8.4182 126.3102 53.0704 45.6684 175.3626 97 F 5.0727 9.1088 122.9093 56.0599 41.2341 174.4580 98 N 5.0086 9.1479 121.8835 52.4639 40.5323 174.0612 99 H 5.0426 9.1822 123.6105 55.8134 29.9187 175.5713 100 S 4.5794 8.3963 115.2489 57.4178 65.1374 174.6700 101 Q 4.4143 8.5735 116.6352 55.9633 28.6817 175.8221 102 R 4.7293 7.8738 117.6193 53.9501 32.8464 175.3571 103 D 4.7174 9.0334 123.4731 55.1169 41.9745 176.1162 104 F 4.9347 9.4288 124.9173 56.4318 41.1346 173.9785 105 A 4.4385 8.1967 128.7114 51.3563 19.3622 176.2484 106 I 4.3683 8.9550 123.6127 59.2502 40.5979 174.9641 107 K 4.9872 9.2274 125.8145 53.7957 35.3891 175.6651 108 K 4.0188 9.3815 124.1917 58.6642 32.3343 177.1687 109 G 4.0542 9.4352 114.5257 45.2234 0.0000 173.2387 110 D 4.7333 8.0263 120.2751 53.8758 42.2811 176.0544 111 R 4.3190 8.5821 121.5450 56.5685 30.0802 176.7692 112 V 4.5561 8.6967 115.8563 61.3863 34.4614 174.9172 113 A 4.6503 7.5743 120.5671 51.1687 22.8654 174.5792 114 Q 4.9805 8.9018 116.6451 54.4307 32.0810 174.4283 115 L 4.9853 8.9115 124.1461 53.9309 43.8817 174.9285 116 I 4.6215 8.5788 127.6305 59.6547 39.7601 175.2567 117 L 4.5987 8.5532 127.7843 53.6150 40.9821 174.6712 118 E 4.1138 8.2271 123.2388 55.5825 30.6059 176.2887 119 K 4.9098 8.6843 125.1764 56.4858 32.7738 176.4452 120 I 4.7503 8.5607 117.2027 59.3300 41.2477 174.9662 121 V 3.9552 8.4471 123.6323 62.3871 31.2419 175.2993 122 D 4.9163 8.7265 126.0900 53.1769 39.9639 176.0223 123 D 4.8746 7.7728 118.0144 52.9280 40.0442 175.4969 124 A 4.0858 8.0902 122.7219 52.7542 18.9021 177.9623 125 Q 4.2126 8.4727 121.1381 55.2877 29.6254 175.8362 126 I 3.8880 8.2976 124.1067 60.9750 37.5815 175.4935 127 V 4.3296 8.1591 124.6091 60.8433 34.0968 174.4427 128 V 4.1099 8.3913 126.7590 61.6554 32.2808 175.1862 129 V 4.5588 7.9837 119.2705 59.3516 34.9574 175.5902 130 D 4.5013 8.6319 120.7968 57.0976 40.8608 177.5712 131 S 4.6030 7.5652 112.4813 56.7196 65.4712 174.5319 132 L 4.0740 8.6575 128.0723 57.6564 41.7657 178.3404 133 E 4.0474 8.2054 115.5507 58.2242 29.9647 176.2598 134 E 4.2028 7.5308 124.1621 56.0077 29.6412 175.0516 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 7 K 8.31 4.23 0.00 1.74 1.84 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.45 7.81 8 V 8.31 4.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.93 0.00 0.00 9 L 9.31 4.55 0.00 1.45 1.36 0.67 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.81 4.44 0.00 1.79 1.73 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.42 7.81 11 I 8.40 5.07 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.84 0.96 0.00 0.00 12 Q 9.42 4.56 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 13 L 8.61 4.91 0.00 1.56 1.59 0.92 0.98 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 14 R 9.35 4.50 0.00 1.64 1.96 0.00 3.14 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 15 S 7.74 4.51 0.00 3.95 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 16 A 8.51 4.10 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.73 4.31 0.00 3.97 4.07 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 18 A 7.50 4.53 1.31 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 0.00 0.00 19 T 8.06 4.43 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 0.47 0.00 0.00 20 V 8.40 3.65 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.93 0.00 0.00 21 P 0.00 5.37 0.00 1.95 2.20 0.00 3.74 0.00 0.00 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 22 T 8.78 4.82 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 1.38 0.00 0.00 23 K 8.32 4.15 0.00 1.52 1.82 0.00 1.16 0.00 0.00 1.44 0.00 0.00 2.52 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.05 0.39 7.81 *25 S 8.39 4.39 0.00 3.92 3.69 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 26 A 8.61 4.57 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 27 T 7.74 4.30 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 1.19 0.00 0.00 28 A 7.39 3.69 1.14 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 0.00 0.00 29 A 8.58 4.06 1.24 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 0.00 0.00 0.00 30 G 7.56 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 0.00 0.00 0.00 31 Y 8.70 4.86 0.00 2.82 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 32 D 9.46 4.59 0.00 2.43 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 0.00 0.00 0.00 33 I 8.46 4.80 1.99 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 1.33 0.95 1.00 0.00 0.00 34 Y 8.58 5.26 0.00 2.87 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 35 A 9.02 4.70 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 36 S 8.76 4.86 0.00 3.86 4.07 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 37 Q 7.82 4.63 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.96 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 38 D 8.69 4.75 0.00 2.56 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.72 4.41 1.86 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 1.22 1.08 0.90 0.00 0.00 40 T 8.40 4.90 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 1.26 0.00 0.00 41 I 8.83 4.24 2.07 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 1.44 1.00 1.00 0.00 0.00 42 P 0.00 4.94 0.00 2.11 1.99 0.00 3.78 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 43 A 9.37 4.01 1.33 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 0.00 0.00 0.00 44 M 8.17 3.52 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 45 G 8.21 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 8.72 5.19 0.00 1.97 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 47 G 8.55 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 0.00 0.00 0.00 48 M 8.48 5.12 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 49 V 8.83 4.15 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 0.92 0.00 0.00 0.99 0.00 0.00 50 S 8.66 4.94 0.00 3.84 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 51 T 8.41 4.64 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 1.32 0.00 0.00 52 D 8.81 4.41 0.00 2.88 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.50 5.23 1.99 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.49 1.04 0.00 0.00 54 S 9.15 5.04 0.00 3.62 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 0.00 55 F 7.75 6.00 0.00 2.95 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 56 T 8.55 4.69 4.29 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 0.00 0.00 0.00 1.31 0.00 0.00 57 V 8.61 4.27 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 0.79 0.00 0.00 1.07 0.00 0.00 58 P 0.00 4.38 0.00 2.08 1.99 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 59 V 8.39 3.44 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 0.79 0.00 0.00 0.95 0.00 0.00 60 G 9.70 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.73 5.96 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 62 Y 8.54 4.93 0.00 3.23 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 63 G 9.38 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 64 R 8.39 5.02 0.00 1.50 1.64 0.00 3.20 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 65 I 8.85 4.49 1.93 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 1.27 0.67 0.95 0.00 0.00 66 A 9.00 4.99 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.62 0.00 2.08 2.07 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 68 R 8.46 4.12 0.00 1.87 1.86 0.00 3.24 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 69 S 8.99 4.22 0.00 3.84 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 70 G 8.06 3.66 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 0.00 71 L 7.85 4.14 0.00 1.57 1.39 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.57 4.20 1.32 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 0.00 0.00 73 V 7.46 3.53 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 0.86 0.00 0.00 0.97 0.00 0.00 74 K 8.39 4.25 0.00 1.83 1.85 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.47 7.81 75 N 7.79 4.78 0.00 2.18 2.39 0.00 0.00 7.04 8.19 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 76 G 8.00 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 77 I 7.35 4.71 1.59 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 0.81 0.00 0.80 0.00 0.00 78 Q 8.87 4.79 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.00 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 79 T 8.80 4.43 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 1.21 0.00 0.00 80 G 8.58 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 0.00 0.00 0.00 81 A 10.05 3.63 0.95 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 82 G 9.14 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 83 V 7.36 4.31 2.04 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 0.49 0.00 0.00 0.90 0.00 0.00 84 V 9.45 3.98 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 0.93 0.00 0.00 1.00 0.00 0.00 85 D 8.62 4.91 0.00 2.89 2.63 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 0.00 0.00 0.00 0.00 86 R 8.87 4.03 0.00 1.87 2.03 0.00 3.30 0.00 0.00 3.53 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 87 D 7.99 4.70 0.00 2.85 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 88 Y 7.86 4.29 0.00 2.90 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 89 T 7.74 4.17 4.07 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 1.11 0.00 0.00 90 G 5.51 3.49 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 91 E 8.32 4.02 0.00 1.92 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 0.00 2.31 2.30 0.00 92 V 8.53 4.03 2.04 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 0.89 0.00 0.00 0.35 0.00 0.00 93 K 8.55 4.76 0.00 1.67 1.82 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.62 7.81 94 V 8.87 4.30 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 0.93 0.00 0.00 0.98 0.00 0.00 95 V 8.24 4.36 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 0.57 0.00 0.00 0.85 0.00 0.00 96 L 8.42 5.02 0.00 1.54 1.45 1.03 0.81 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 97 F 9.11 5.07 0.00 2.91 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 98 N 9.15 5.01 0.00 2.77 2.88 0.00 0.00 7.01 8.75 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 99 H 9.18 5.04 0.00 3.13 3.29 0.00 5.70 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 0.00 100 S 8.40 4.58 0.00 3.92 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 0.00 101 Q 8.57 4.41 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 102 R 7.87 4.73 0.00 1.70 1.85 0.00 3.22 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 103 D 9.03 4.72 0.00 2.59 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 0.00 104 F 9.43 4.93 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 0.00 105 A 8.20 4.44 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.95 4.37 1.91 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 1.01 0.14 0.88 0.00 0.00 107 K 9.23 4.99 0.00 1.61 1.65 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.27 7.81 108 K 9.38 4.02 0.00 1.67 1.76 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.27 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.46 7.81 109 G 9.44 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 0.00 0.00 0.00 110 D 8.03 4.73 0.00 2.74 2.63 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 0.00 0.00 0.00 0.00 111 R 8.58 4.32 0.00 1.62 1.68 0.00 3.10 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.44 0.00 112 V 8.70 4.56 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 0.78 0.00 0.00 1.01 0.00 0.00 113 A 7.57 4.65 1.27 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 0.00 0.00 114 Q 8.90 4.98 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 115 L 8.91 4.99 0.00 1.67 1.67 0.79 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.58 4.62 1.79 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 1.19 0.62 0.85 0.00 0.00 117 L 8.55 4.60 0.00 1.53 1.60 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.23 4.11 0.00 1.23 1.86 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 2.14 1.96 0.00 119 K 8.68 4.91 0.00 1.66 1.78 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.45 7.81 120 I 8.56 4.75 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.65 1.25 0.00 0.00 121 V 8.45 3.96 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 0.95 0.00 0.00 122 D 8.73 4.92 0.00 2.82 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 0.00 123 D 7.77 4.87 0.00 2.76 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 0.00 124 A 8.09 4.09 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 8.47 4.21 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 126 I 8.30 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 1.29 0.53 0.91 0.00 0.00 127 V 8.16 4.33 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 128 V 8.39 4.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.93 0.00 0.00 129 V 7.98 4.56 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.97 0.00 0.00 130 D 8.63 4.50 0.00 2.66 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 0.00 131 S 7.57 4.60 0.00 3.79 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 0.00 132 L 8.66 4.07 0.00 1.67 1.71 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 133 E 8.21 4.05 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 134 E 7.53 4.20 0.00 1.79 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 0.00 2.23 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.