NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 4.8127 8.1827 115.7808 56.3688 39.8134 176.8833 13 V 3.4344 8.0158 122.9517 66.7134 31.0309 175.0580 14 A 3.9887 8.7562 121.3088 55.4293 18.5926 178.9164 15 E 3.9738 8.1944 115.1008 59.4650 29.8160 179.1671 16 L 4.1911 8.1004 119.2115 57.6063 41.4528 178.7963 17 N 4.5290 8.4555 116.9104 56.3553 38.5991 175.7143 18 N 4.7856 7.6297 115.2069 53.9567 38.9414 175.2729 19 L 4.6600 7.9337 120.8147 54.0998 42.2881 176.0508 20 L 4.2197 7.2714 118.7054 56.5565 41.7312 177.9702 21 G 3.9786 9.2244 112.3190 45.2417 0.0000 173.2923 22 R 4.6522 7.9058 119.0109 54.4001 32.9022 175.0960 23 E 4.7701 8.6029 122.5193 56.2815 30.5273 176.0398 24 V 4.7582 8.9994 119.1515 59.7620 36.9206 173.8594 25 Q 5.1547 8.9328 122.8422 54.4044 32.0561 174.3743 26 V 4.7730 8.9718 125.2793 61.1913 34.6675 174.0679 27 V 4.4640 8.5868 128.5442 61.5998 33.0847 174.8513 28 L 5.3827 8.7417 128.0726 53.1248 43.9660 177.8504 29 S 4.3755 8.9201 115.5914 60.2939 63.2792 174.6526 30 N 4.6601 8.2483 118.0287 52.8630 37.1505 176.0589 31 G 3.9961 8.1969 108.1617 45.5901 0.0000 174.1241 32 E 4.3457 8.3815 119.4455 56.1073 31.4124 176.0600 33 V 4.7824 8.0312 120.6751 61.5963 34.8448 173.4724 34 Y 4.9261 9.1057 126.0109 56.0149 40.5912 174.6779 35 K 4.9661 8.6193 124.9615 54.9225 35.5605 175.4521 36 G 4.1857 8.3521 112.1329 46.1114 0.0000 171.5414 37 V 4.4071 7.8918 120.4323 61.9407 32.9206 175.6687 38 L 4.3050 9.2406 131.0074 56.0245 42.1608 176.2455 39 H 4.6772 9.0902 127.1926 57.7364 31.2985 174.7808 40 A 4.7193 7.5847 117.0091 50.9206 22.5225 175.4600 41 V 4.9559 8.2822 119.2366 61.4190 35.0083 174.0517 42 D 5.0491 8.5018 125.8489 51.0127 42.0457 176.5860 43 N 4.2688 8.6674 115.7212 56.5062 38.3837 176.3714 44 Q 3.8525 7.9738 113.9818 55.6873 29.0851 175.6685 45 L 3.8058 8.0491 117.3978 55.7169 39.6120 174.4228 46 N 4.8718 8.8306 116.0128 53.4796 39.9462 174.4335 47 I 5.0409 8.6007 122.0023 59.5326 41.3668 174.4996 48 V 4.6303 8.8337 125.9815 61.0572 34.1120 174.1378 49 L 5.2077 8.6348 127.3023 52.9394 44.7283 175.1689 50 A 4.9166 9.1007 124.1857 50.6831 21.4165 176.0720 51 N 4.2690 8.3881 116.9239 54.2635 36.7901 173.2594 52 A 5.1302 8.2812 121.0062 50.6535 22.5441 177.5483 53 S 5.8066 9.3966 113.2354 56.0044 67.3084 173.4170 54 N 5.5376 8.1418 118.4408 50.4142 39.8552 175.3187 55 K 3.9884 8.4364 116.5863 58.8481 32.2073 178.0434 56 A 4.0716 7.9301 120.0605 52.5951 18.5997 178.2033 57 G 3.9100 8.0553 104.2055 45.0060 0.0000 173.8774 58 E 4.0854 8.3128 119.8620 55.9332 30.6162 175.8598 59 K 5.0321 7.8808 123.2125 54.7053 35.6039 175.1395 60 F 4.8769 8.9500 123.1891 55.7890 43.1572 175.3042 61 N 4.6199 9.0361 121.0232 55.9973 40.0804 174.8734 62 R 4.9671 7.8460 115.6292 54.4106 34.5118 174.8848 63 V 4.0727 8.3752 122.8112 61.0102 34.5258 174.1257 64 F 4.8382 8.8491 126.9656 56.3926 39.7400 175.1080 65 I 4.3149 8.4272 132.2055 60.7959 39.5195 176.8872 *67 Y 4.7273 8.5101 119.7492 58.1554 39.7299 177.5930 68 R 3.5628 7.0183 117.9061 58.5938 30.3074 176.6842 69 Y 4.2864 7.7123 113.0984 57.7388 38.4963 174.4643 70 I 4.4781 7.7563 122.7003 60.9878 37.4686 175.8755 71 V 4.1137 8.9267 128.6460 65.1721 32.0115 175.4663 72 H 4.9345 7.7006 113.2558 54.7968 31.6135 171.8746 73 I 5.0016 8.3248 119.6549 59.6929 39.8412 174.7680 74 D 5.1755 9.2836 126.2148 52.1029 44.4980 176.0794 75 S 4.5517 8.7068 116.1313 58.5881 63.8264 173.9977 76 T 4.4815 8.2781 110.2199 61.7228 70.5777 174.3127 77 E 4.3691 7.9424 121.2121 55.4486 30.5819 176.3266 78 R 4.2889 8.1913 121.0407 55.5687 31.1835 176.8518 79 R 4.2116 8.1486 119.0531 55.5772 30.9172 176.8721 80 I 3.6165 7.8161 120.8334 61.4454 37.6216 176.1194 81 D 4.4984 8.1954 123.5452 53.7736 42.7267 176.7065 *83 R 3.7943 8.4286 117.3874 56.1002 31.9969 177.7930 84 E 3.9504 8.7395 118.2883 59.3581 29.4646 178.4860 85 F 3.9040 8.4507 120.6976 61.1706 39.2863 177.0053 86 A 4.0711 7.9859 119.8320 54.9599 18.1038 179.0210 87 K 3.7887 8.0200 117.1407 60.0595 32.4066 178.6236 88 Q 4.0745 8.2685 117.7388 58.9262 28.5935 178.4959 89 A 3.9778 8.0940 122.1566 55.0115 17.7696 179.1102 90 E 3.9522 8.3887 117.9437 59.7040 29.4735 179.3415 91 K 3.9846 7.5826 117.0693 59.3984 32.1426 178.8944 92 I 3.8696 7.4132 118.2297 62.1180 38.6140 176.2174 93 F 4.8650 7.9909 117.6800 53.9932 39.4362 171.7451 94 P 4.3368 0.0000 0.0000 63.3982 32.5314 176.9418 95 G 3.7810 9.7819 112.5178 46.4966 0.0000 173.6462 *97 V 4.1931 7.2779 115.3697 62.7975 33.3178 175.5755 98 K 4.6571 9.2689 126.5875 54.8688 35.7916 174.4455 99 Y 4.8278 8.8657 126.7581 56.5872 40.2965 174.4784 100 I 4.0551 8.0749 128.3181 59.3909 38.2041 176.4073 101 E 3.7294 8.5645 129.0856 58.5909 30.0159 177.4544 102 E 4.0465 8.2027 119.2060 58.7923 29.6165 177.2221 103 T 4.4603 7.2622 103.9248 60.1203 69.7685 172.6962 104 N 4.0296 7.6845 118.4726 55.3392 38.0749 173.6037 105 V 4.6289 7.1779 114.4514 60.8163 35.5989 173.9852 106 V 4.9293 8.9451 125.0599 61.1446 34.3303 174.0812 107 L 4.8865 9.3794 128.3255 53.3346 44.0830 175.7103 108 I 4.4518 8.2516 123.6593 60.2907 39.9675 175.5330 109 G 3.9304 8.7652 118.6190 45.9190 0.0000 172.0656 110 D 4.8483 8.6661 117.8860 54.1361 42.8157 176.7329 111 K 4.5500 8.0191 116.1530 55.5277 33.5160 175.3887 112 V 4.6687 7.4078 119.2438 61.0686 34.6594 174.4290 113 R 5.0721 8.8398 126.6272 54.7080 34.0554 173.6395 114 V 4.8658 9.3142 125.6891 61.1425 34.6552 174.5372 115 S 5.0884 8.3679 121.6361 55.8232 66.2804 174.7907 116 E 4.1687 8.9512 116.5274 57.9999 29.0617 177.3245 117 I 4.3068 8.5556 119.0697 60.2693 39.1672 175.6016 118 G 3.3529 6.4591 108.3384 44.8897 0.0000 170.7400 119 V 4.5228 7.3275 118.9645 60.8939 33.1449 174.5252 120 E 4.4588 10.4600 127.3630 54.0062 30.9077 174.7501 121 G 4.4777 7.7462 108.5772 43.2730 0.0000 171.9921 122 V 4.2713 7.6923 120.1240 61.2911 35.0219 175.3641 123 G 3.9893 8.4812 108.5371 44.4671 0.0000 172.4662 124 P 4.3025 0.0000 0.0000 65.6203 31.0230 179.2952 125 V 3.7260 7.7984 116.2933 65.9246 31.5744 177.7139 126 A 4.0035 7.9761 120.0435 55.2759 18.1270 179.1517 127 E 3.9439 8.0915 116.5536 59.7658 29.7020 179.7232 128 R 4.0103 8.0693 118.3428 59.2768 30.1603 178.4498 129 A 4.3639 8.3675 120.8796 55.1731 18.3794 179.6361 130 K 4.1096 8.4465 117.1472 59.7781 31.9889 179.8065 131 R 4.2099 8.0008 118.5199 59.1259 30.0113 178.8048 132 L 4.0762 8.0994 119.8673 58.1448 42.1573 178.6289 133 F 4.3323 9.2168 121.0568 61.6840 39.2706 176.9529 134 E 4.1998 8.9606 118.5305 59.5433 29.0326 179.1072 135 E 4.0241 8.4123 118.0237 59.4570 29.5736 179.1785 136 F 4.1772 8.2390 116.7947 60.6592 39.0999 177.4561 137 L 4.1624 7.9067 117.1647 57.5427 41.4398 178.0175 138 K 4.3247 8.2627 122.6242 56.6346 32.1942 176.6552 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 12 F 8.18 4.81 0.00 3.15 3.37 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 13 V 8.02 3.43 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 1.01 0.00 0.00 0.90 0.00 0.00 14 A 8.76 3.99 1.34 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 0.00 0.00 15 E 8.19 3.97 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 16 L 8.10 4.19 0.00 1.80 1.76 1.12 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.46 4.53 0.00 3.04 2.84 0.00 0.00 7.24 6.23 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 18 N 7.63 4.79 0.00 2.95 2.85 0.00 0.00 6.85 7.52 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 19 L 7.93 4.66 0.00 1.79 1.65 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.27 4.22 0.00 1.69 1.63 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 G 9.22 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 0.00 0.00 0.00 22 R 7.91 4.65 0.00 1.87 1.86 0.00 3.54 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 23 E 8.60 4.77 0.00 1.98 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 2.30 2.54 0.00 24 V 9.00 4.76 2.18 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 0.72 0.00 0.00 0.96 0.00 0.00 25 Q 8.93 5.15 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 26 V 8.97 4.77 2.18 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 1.02 0.00 0.00 0.98 0.00 0.00 27 V 8.59 4.46 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 0.98 0.00 0.00 0.88 0.00 0.00 28 L 8.74 5.38 0.00 1.91 1.65 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.92 4.38 0.00 4.08 4.06 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 30 N 8.25 4.66 0.00 2.85 2.93 0.00 0.00 6.23 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 31 G 8.20 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 32 E 8.38 4.35 0.00 2.21 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 2.38 2.44 0.00 33 V 8.03 4.78 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 1.01 0.00 0.00 0.93 0.00 0.00 34 Y 9.11 4.93 0.00 2.97 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 35 K 8.62 4.97 0.00 1.79 1.62 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.37 7.81 36 G 8.35 4.19 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 0.00 37 V 7.89 4.41 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.95 0.00 0.00 38 L 9.24 4.31 0.00 1.91 1.67 0.93 0.82 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 39 H 9.09 4.68 0.00 3.11 3.43 0.00 6.04 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.58 4.72 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 41 V 8.28 4.96 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 0.91 0.00 0.00 0.97 0.00 0.00 42 D 8.50 5.05 0.00 2.93 2.79 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 0.00 0.00 0.00 0.00 43 N 8.67 4.27 0.00 2.68 2.86 0.00 0.00 6.87 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 44 Q 7.97 3.85 0.00 2.03 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.63 0.00 0.00 0.00 0.00 0.00 2.07 2.24 0.00 45 L 8.05 3.81 0.00 1.69 1.87 1.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.83 4.87 0.00 3.04 2.86 0.00 0.00 6.82 6.65 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 47 I 8.60 5.04 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.20 0.93 0.00 0.00 48 V 8.83 4.63 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 0.62 0.00 0.00 1.03 0.00 0.00 49 L 8.63 5.21 0.00 1.55 1.53 1.01 0.45 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 50 A 9.10 4.92 1.12 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 51 N 8.39 4.27 0.00 2.84 2.81 0.00 0.00 6.74 7.44 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 52 A 8.28 5.13 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 53 S 9.40 5.81 0.00 3.83 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 54 N 8.14 5.54 0.00 2.43 1.78 0.00 0.00 6.76 6.86 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 55 K 8.44 3.99 0.00 1.71 1.87 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.34 7.81 56 A 7.93 4.07 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 57 G 8.06 3.91 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 0.00 0.00 0.00 58 E 8.31 4.09 0.00 2.08 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 59 K 7.88 5.03 0.00 1.57 1.44 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.24 1.40 7.81 60 F 8.95 4.88 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 61 N 9.04 4.62 0.00 2.80 2.85 0.00 0.00 7.44 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 62 R 7.85 4.97 0.00 1.61 1.15 0.00 3.02 0.00 0.00 3.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.48 0.00 63 V 8.38 4.07 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 0.47 0.00 0.00 0.73 0.00 0.00 64 F 8.85 4.84 0.00 2.90 3.02 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 0.00 0.00 0.00 65 I 8.43 4.31 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.71 0.94 0.00 0.00 *67 Y 8.51 4.73 0.00 3.21 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 68 R 7.02 3.56 0.00 1.27 1.36 0.00 2.90 0.00 0.00 3.01 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.59 0.00 69 Y 7.71 4.29 0.00 3.11 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.76 4.48 2.10 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 1.20 0.60 1.01 0.00 0.00 71 V 8.93 4.11 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 0.86 0.00 0.00 0.96 0.00 0.00 72 H 7.70 4.93 0.00 3.18 3.36 0.00 5.45 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.32 5.00 1.79 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 1.39 0.74 0.96 0.00 0.00 74 D 9.28 5.18 0.00 2.52 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 75 S 8.71 4.55 0.00 3.97 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 76 T 8.28 4.48 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 1.25 0.00 0.00 77 E 7.94 4.37 0.00 1.99 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 2.30 2.34 0.00 78 R 8.19 4.29 0.00 1.80 1.85 0.00 3.37 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 79 R 8.15 4.21 0.00 1.78 1.83 0.00 3.58 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 80 I 7.82 3.62 1.40 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.13 0.18 0.00 0.00 81 D 8.20 4.50 0.00 2.68 2.59 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 0.00 0.00 0.00 0.00 *83 R 8.43 3.79 0.00 1.91 1.78 0.00 3.00 0.00 0.00 3.05 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.67 0.00 84 E 8.74 3.95 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.80 0.00 85 F 8.45 3.90 0.00 2.64 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.99 4.07 1.46 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 0.00 0.00 0.00 0.00 0.00 87 K 8.02 3.79 0.00 1.90 1.96 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.50 7.81 88 Q 8.27 4.07 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 89 A 8.09 3.98 1.30 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 0.00 0.00 90 E 8.39 3.95 0.00 2.24 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 2.34 2.43 0.00 91 K 7.58 3.98 0.00 1.80 1.81 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.65 7.81 92 I 7.41 3.87 1.60 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 1.45 0.47 0.13 0.00 0.00 93 F 7.99 4.87 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 94 P 0.00 4.34 0.00 2.06 2.05 0.00 3.91 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 95 G 9.78 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 *97 V 7.28 4.19 2.37 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 0.92 0.00 0.00 1.10 0.00 0.00 98 K 9.27 4.66 0.00 1.66 1.67 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.37 7.81 99 Y 8.87 4.83 0.00 3.00 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 0.00 100 I 8.07 4.06 1.73 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 1.02 0.80 0.78 0.00 0.00 101 E 8.56 3.73 0.00 2.07 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 2.32 2.43 0.00 102 E 8.20 4.05 0.00 1.90 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 2.26 2.28 0.00 103 T 7.26 4.46 4.19 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 1.17 0.00 0.00 104 N 7.68 4.03 0.00 2.89 2.90 0.00 0.00 6.82 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 0.00 105 V 7.18 4.63 1.99 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 0.86 0.00 0.00 0.92 0.00 0.00 106 V 8.95 4.93 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 1.19 0.00 0.00 1.26 0.00 0.00 107 L 9.38 4.89 0.00 1.60 1.54 0.90 0.69 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 0.00 108 I 8.25 4.45 1.68 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 1.16 1.03 0.19 0.00 0.00 109 G 8.77 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 0.00 110 D 8.67 4.85 0.00 2.63 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 0.00 111 K 8.02 4.55 0.00 1.67 1.75 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.36 7.81 112 V 7.41 4.67 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 0.90 0.00 0.00 0.89 0.00 0.00 113 R 8.84 5.07 0.00 1.85 1.63 0.00 3.05 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 114 V 9.31 4.87 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 1.00 0.00 0.00 115 S 8.37 5.09 0.00 3.91 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 0.00 116 E 8.95 4.17 0.00 2.09 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 2.28 2.36 0.00 117 I 8.56 4.31 1.86 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 1.22 0.52 0.85 0.00 0.00 118 G 6.46 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 0.00 0.00 0.00 119 V 7.33 4.52 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.79 0.00 0.00 120 E 10.46 4.46 0.00 2.08 1.79 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 0.00 2.19 2.16 0.00 121 G 7.75 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.69 4.27 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 0.86 0.00 0.00 0.92 0.00 0.00 123 G 8.48 3.99 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 0.00 0.00 0.00 124 P 0.00 4.30 0.00 2.22 2.17 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 125 V 7.80 3.73 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 0.60 0.00 0.00 0.97 0.00 0.00 126 A 7.98 4.00 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 0.00 127 E 8.09 3.94 0.00 2.22 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 2.53 2.50 0.00 128 R 8.07 4.01 0.00 2.02 2.45 0.00 3.19 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.82 0.00 129 A 8.37 4.36 1.60 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 0.00 0.00 130 K 8.45 4.11 0.00 2.08 1.94 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.65 7.81 131 R 8.00 4.21 0.00 2.14 2.06 0.00 3.25 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 132 L 8.10 4.08 0.00 2.12 2.13 0.41 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 133 F 9.22 4.33 0.00 3.33 3.29 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 0.00 134 E 8.96 4.20 0.00 2.39 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 2.45 2.55 0.00 135 E 8.41 4.02 0.00 2.14 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 2.57 2.49 0.00 136 F 8.24 4.18 0.00 3.05 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 0.00 137 L 7.91 4.16 0.00 1.87 1.82 1.22 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.26 4.32 0.00 1.84 1.74 0.00 1.78 0.00 0.00 1.89 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.69 7.81 * Residues marked with a * may have inaccurate shift predictions.