NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2391 8.3149 121.7865 55.7640 33.0915 176.4508 3 T 4.3961 8.6824 109.4063 60.8074 71.2106 172.8747 4 I 4.0593 9.1709 128.5181 61.8537 38.8871 175.1495 5 R 4.5482 9.0099 125.6639 54.3324 33.0014 174.9781 6 R 4.8825 8.3748 122.4851 54.8459 32.0527 174.9816 7 Y 4.5748 9.2847 122.4048 56.1339 41.2541 175.1160 8 D 4.3799 8.4447 118.1746 55.3768 39.5579 173.7811 9 V 4.1578 7.5589 117.5762 62.5528 32.8763 174.6311 10 N 4.7944 8.8136 125.6706 51.5599 39.2133 174.6536 11 E 4.0413 8.6296 126.0152 59.2695 30.0453 178.7538 12 D 4.4891 8.1613 117.7489 57.2840 40.9957 177.6786 13 R 4.1057 8.5271 116.6377 56.3665 30.5328 176.4391 14 G 3.8934 7.9012 105.9766 46.7953 0.0000 172.7856 15 H 5.1169 7.6650 112.3990 53.8531 32.9432 172.0997 16 T 4.7481 8.4464 115.7196 61.7860 69.8361 174.9881 17 G 3.8120 8.9421 114.4318 48.9846 0.0000 173.4026 18 L 5.3054 8.3625 122.9297 53.5407 46.0080 174.8228 19 V 4.9376 9.2720 127.1310 61.2462 33.9867 173.7058 20 E 4.6615 9.6492 129.8136 55.0193 31.4103 174.5405 21 A 4.7580 8.8507 129.3954 49.4310 21.1292 177.4185 22 G 3.7863 8.6792 113.6672 47.9909 0.0000 173.3098 23 D 4.6758 8.8249 125.5383 53.5244 41.3118 175.1034 24 F 5.3022 7.9217 118.4320 55.8253 42.4295 174.1893 25 Y 5.2182 8.9608 118.5962 56.5840 41.6891 173.8969 26 Y 4.8623 9.5002 122.5156 56.2278 40.3815 174.6751 27 L 5.0227 8.7151 124.8888 53.1474 43.5070 176.2055 28 N 4.7945 8.7970 122.9987 53.2920 39.8358 173.7494 29 Y 4.4476 8.4881 120.0258 58.0370 38.4230 175.5526 30 C 5.2436 9.5338 120.1201 58.1618 31.6055 173.3193 31 V 4.7581 8.0425 120.6588 60.8274 34.2586 173.9232 32 G 3.9310 8.8559 108.1190 46.2114 0.0000 172.6102 33 N 4.3945 8.3688 114.7755 53.8976 36.1428 174.8980 34 V 3.8027 7.6719 116.3781 64.1890 32.6479 175.7835 35 G 4.1592 9.0517 114.3854 45.1368 0.0000 173.3916 36 Q 4.7284 7.2457 117.9861 54.1250 30.6386 175.0867 37 D 4.6208 8.2052 119.0695 53.1135 41.2585 176.9601 38 I 3.6349 8.2488 119.0464 64.3350 37.8268 177.1436 39 E 3.8392 8.1541 119.4295 59.5484 29.4728 178.8055 40 S 4.1039 8.5466 115.1451 61.7750 62.8944 176.7836 41 Q 4.5679 8.1131 122.0488 58.3054 28.3637 178.9465 42 I 2.9829 7.6924 121.0366 64.1964 37.0759 178.1017 43 N 4.5377 8.2531 117.5905 56.4453 38.3543 177.7733 44 G 3.5853 8.6595 107.2637 47.5294 0.0000 175.7460 45 A 4.0420 7.8732 122.3557 55.1060 18.4964 179.4266 46 F 4.7645 7.9596 115.3598 60.7955 39.1498 177.2482 47 D 4.6177 8.4480 118.7194 57.2487 40.6296 179.7530 48 E 4.2021 8.0649 118.1111 56.6018 29.5836 178.2901 *50 E 4.1877 8.1941 118.7226 55.8879 31.6968 178.1823 51 R 3.8368 8.3418 117.8115 59.5316 30.3774 178.5652 52 R 4.0369 8.0973 117.6906 59.3673 30.0778 179.0401 53 L 3.8339 7.9154 117.9565 57.6907 41.5704 179.2716 54 A 4.0076 7.9457 120.3809 54.6187 17.9980 179.5707 55 L 4.0010 7.6393 117.1168 56.8612 41.5756 178.4065 56 V 3.9805 7.1075 109.5293 60.7454 31.9978 176.0949 57 G 3.7522 7.7198 106.3950 45.8987 0.0000 173.8589 58 L 4.5138 7.7354 119.1939 52.7735 44.0994 175.1796 59 T 4.6377 7.5856 108.9868 59.3842 72.1088 174.5748 60 L 3.8729 8.1900 119.8696 57.8090 41.5206 179.5855 61 D 4.3475 7.5178 116.9621 56.8453 40.8935 177.1442 62 A 4.2428 8.0612 120.6630 52.5231 19.0095 176.8013 63 V 4.3752 7.6513 117.1335 62.4331 32.1257 175.8407 64 V 4.3110 8.7733 120.5733 62.4468 33.9745 175.0868 65 Q 5.5680 7.5745 119.5386 55.4700 33.2614 172.4179 *67 D 4.8316 8.4931 118.8946 54.4452 42.5755 174.5582 68 C 4.7664 9.1474 121.8601 57.8621 30.9548 172.7346 69 L 5.0521 8.1746 124.2752 53.0789 43.5626 175.5090 70 F 5.5013 9.3934 123.0418 55.6876 41.9152 176.6859 71 R 4.1720 9.2799 123.1111 58.1182 30.9121 175.7477 72 D 5.0029 8.3000 118.7986 52.0186 42.5804 176.0884 73 V 3.0694 8.9266 127.6793 63.3481 31.5904 178.2118 74 W 4.1917 7.9693 119.6189 58.5343 28.8930 176.3134 75 N 4.7362 8.1779 116.2322 53.5391 38.1667 176.7259 76 I 3.6345 7.0936 120.8567 64.0870 37.5347 175.6910 77 P 4.3588 0.0000 0.0000 65.6580 31.2558 179.1957 78 V 3.5568 7.3557 114.3915 63.5958 31.0012 176.4378 *80 E 4.3685 8.3014 119.5672 55.9472 31.1324 178.2607 81 K 3.8101 7.9690 115.7313 57.8648 32.3558 177.9615 *83 I 4.3385 7.8545 119.2617 61.2426 38.7079 178.1394 84 K 4.4096 8.1531 119.4558 59.5687 32.1674 179.3961 85 E 3.9358 8.1380 117.7668 59.0304 29.5590 178.1926 86 R 4.2140 8.0333 115.7464 57.4904 31.0721 177.1682 87 F 4.1009 8.9937 115.5570 56.8065 40.0911 174.6452 88 N 4.1714 8.6928 118.7744 54.4882 37.2190 174.5389 89 G 3.6536 7.9950 104.4719 45.2250 0.0000 172.4234 90 R 4.1611 7.2339 118.0609 54.4963 31.7607 174.4677 91 Y 4.8153 8.0170 120.4801 55.2990 40.5905 174.0835 92 P 4.7767 0.0000 0.0000 61.7071 33.3273 175.4437 93 A 4.3771 8.5276 122.3443 52.3980 19.3622 176.8370 94 R 4.9942 8.2367 116.0638 55.1946 32.8327 173.8129 95 K 4.8176 8.5126 117.2154 55.5505 36.4453 175.0142 96 S 5.5135 8.6614 116.0416 57.0709 66.4550 173.7045 97 I 4.7023 8.8884 122.9080 59.7232 41.5595 173.9254 98 Q 4.9663 8.6799 127.4646 55.6029 29.8208 174.5303 99 T 4.5688 8.7550 119.9832 60.5917 71.3094 173.0362 100 E 3.9255 8.4901 125.6461 56.0767 30.3771 176.1093 101 F 4.9964 8.1536 118.0220 55.7191 42.4406 175.2484 102 A 4.4658 8.3841 124.3045 51.7076 18.0937 177.0625 103 H 4.9809 7.6798 119.1078 55.3103 33.4438 173.4576 104 H 4.3163 8.6645 120.0359 55.9806 29.2093 174.8562 105 G 4.1703 8.6853 109.8953 46.4632 0.0000 172.4518 106 G 4.3998 8.7620 109.9090 44.6740 0.0000 170.1647 107 P 4.3711 0.0000 0.0000 64.4062 31.6530 175.7918 108 Q 4.0899 8.4437 119.8069 56.0445 26.2856 173.9421 109 G 4.1933 8.2149 107.1473 43.6328 0.0000 173.5658 110 L 4.1573 8.1654 121.8171 54.5599 42.6535 176.2406 111 L 5.0378 9.1559 124.2704 54.7961 44.6919 175.9197 112 F 5.3214 7.6894 118.5489 57.2814 42.2215 173.0804 113 Q 4.6158 7.8127 123.1590 54.1527 33.5627 174.2541 114 V 4.7951 8.3843 120.0691 60.1431 35.2652 173.8511 115 D 5.0212 8.4582 121.5901 52.2627 43.2561 173.6029 116 G 4.1302 7.4934 103.1011 46.4013 0.0000 172.1670 117 V 5.0205 8.4299 118.7906 61.0282 34.9305 175.1574 118 A 5.4117 9.1640 128.1567 50.3707 22.9970 173.9899 119 Y 4.9707 8.9554 119.6973 56.1188 42.2661 174.7508 120 S 4.1079 8.4277 120.6665 56.4760 66.0537 173.0820 121 K 3.9792 8.1171 128.8481 56.4838 32.8118 176.1508 122 H 4.3947 8.5908 121.8075 56.0530 28.6992 175.0654 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 2 K 8.31 4.24 0.00 1.71 1.60 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.41 7.81 3 T 8.68 4.40 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 1.19 0.00 0.00 4 I 9.17 4.06 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 1.34 0.46 0.97 0.00 0.00 5 R 9.01 4.55 0.00 1.82 1.52 0.00 3.26 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.02 0.00 6 R 8.37 4.88 0.00 1.60 1.83 0.00 3.15 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 7 Y 9.28 4.57 0.00 2.96 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 8 D 8.44 4.38 0.00 2.97 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 9 V 7.56 4.16 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 0.85 0.00 0.00 0.93 0.00 0.00 10 N 8.81 4.79 0.00 2.60 2.31 0.00 0.00 7.05 7.33 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 11 E 8.63 4.04 0.00 1.98 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 0.00 2.30 2.26 0.00 12 D 8.16 4.49 0.00 2.78 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 13 R 8.53 4.11 0.00 1.60 2.05 0.00 3.47 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 14 G 7.90 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 0.00 0.00 0.00 15 H 7.66 5.12 0.00 3.19 3.42 0.00 5.62 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 16 T 8.45 4.75 4.30 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 1.40 0.00 0.00 17 G 8.94 3.81 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 0.00 0.00 0.00 18 L 8.36 5.31 0.00 1.83 1.61 1.08 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.27 4.94 2.26 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 0.92 0.00 0.00 1.01 0.00 0.00 20 E 9.65 4.66 0.00 2.38 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 2.11 1.61 0.00 21 A 8.85 4.76 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 22 G 8.68 3.79 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 0.00 0.00 0.00 23 D 8.82 4.68 0.00 2.65 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 0.00 0.00 0.00 24 F 7.92 5.30 0.00 3.11 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 25 Y 8.96 5.22 0.00 2.79 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 26 Y 9.50 4.86 0.00 2.94 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 27 L 8.72 5.02 0.00 1.90 1.63 0.98 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.80 4.79 0.00 2.91 2.51 0.00 0.00 7.20 6.99 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 29 Y 8.49 4.45 0.00 2.90 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 30 C 9.53 5.24 0.00 2.95 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 31 V 8.04 4.76 2.16 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 0.62 0.00 0.00 0.83 0.00 0.00 32 G 8.86 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 33 N 8.37 4.39 0.00 3.01 2.88 0.00 0.00 6.52 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 34 V 7.67 3.80 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 0.63 0.00 0.00 0.85 0.00 0.00 35 G 9.05 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 0.00 0.00 0.00 0.00 36 Q 7.25 4.73 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 37 D 8.21 4.62 0.00 2.96 2.83 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 0.00 0.00 0.00 0.00 38 I 8.25 3.63 1.93 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 1.62 1.40 0.94 0.00 0.00 39 E 8.15 3.84 0.00 2.06 1.93 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 2.37 2.40 0.00 40 S 8.55 4.10 0.00 4.01 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 41 Q 8.11 4.57 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.53 2.59 0.00 42 I 7.69 2.98 1.66 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.18 0.35 0.00 0.00 43 N 8.25 4.54 0.00 2.88 2.91 0.00 0.00 6.98 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 44 G 8.66 3.59 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 0.00 0.00 0.00 45 A 7.87 4.04 1.48 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 46 F 7.96 4.76 0.00 3.23 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 47 D 8.45 4.62 0.00 2.92 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 48 E 8.06 4.20 0.00 2.06 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 0.00 2.30 2.35 0.00 *50 E 8.19 4.19 0.00 2.23 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 0.00 2.17 2.42 0.00 51 R 8.34 3.84 0.00 1.90 2.12 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 52 R 8.10 4.04 0.00 1.89 1.95 0.00 3.17 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 53 L 7.92 3.83 0.00 1.58 1.58 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.95 4.01 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 55 L 7.64 4.00 0.00 1.53 1.57 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.11 3.98 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 0.05 0.00 0.00 0.41 0.00 0.00 57 G 7.72 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 0.00 0.00 0.00 58 L 7.74 4.51 0.00 1.44 1.35 0.12 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.59 4.64 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 1.11 0.00 0.00 60 L 8.19 3.87 0.00 1.28 1.02 -0.15 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.52 4.35 0.00 2.59 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 62 A 8.06 4.24 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 63 V 7.65 4.38 2.44 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 0.94 0.00 0.00 1.00 0.00 0.00 64 V 8.77 4.31 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 0.71 0.00 0.00 1.13 0.00 0.00 65 Q 7.57 5.57 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.22 0.00 *67 D 8.49 4.83 0.00 2.97 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 68 C 9.15 4.77 0.00 3.02 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 69 L 8.17 5.05 0.00 1.62 1.72 0.89 0.81 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 70 F 9.39 5.50 0.00 2.87 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 71 R 9.28 4.17 0.00 2.18 2.19 0.00 3.18 0.00 0.00 3.10 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.48 0.00 72 D 8.30 5.00 0.00 2.78 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 73 V 8.93 3.07 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 0.25 0.00 0.00 0.66 0.00 0.00 74 W 7.97 4.19 0.00 3.47 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 75 N 8.18 4.74 0.00 3.00 2.98 0.00 0.00 6.88 7.54 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 76 I 7.09 3.63 1.64 0.00 0.00 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 1.18 -0.14 0.86 0.00 0.00 77 P 0.00 4.36 0.00 2.20 2.12 0.00 3.67 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 2.17 2.09 0.00 78 V 7.36 3.56 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 0.75 0.00 0.00 0.96 0.00 0.00 *80 E 8.30 4.37 0.00 2.24 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 2.25 2.49 0.00 81 K 7.97 3.81 0.00 1.93 1.98 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.45 7.81 *83 I 7.85 4.34 1.98 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 1.31 0.63 0.64 0.00 0.00 84 K 8.15 4.41 0.00 2.03 1.97 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.60 7.81 85 E 8.14 3.94 0.00 1.98 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 2.39 2.45 0.00 86 R 8.03 4.21 0.00 1.71 1.75 0.00 3.29 0.00 0.00 3.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 87 F 8.99 4.10 0.00 3.45 3.32 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 88 N 8.69 4.17 0.00 2.76 2.72 0.00 0.00 7.25 7.86 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 89 G 8.00 3.65 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 0.00 0.00 0.00 90 R 7.23 4.16 0.00 1.67 1.77 0.00 3.07 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.42 0.00 91 Y 8.02 4.82 0.00 2.93 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 92 P 0.00 4.78 0.00 2.07 2.26 0.00 3.46 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 93 A 8.53 4.38 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 94 R 8.24 4.99 0.00 1.81 1.87 0.00 3.07 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 95 K 8.51 4.82 0.00 1.80 1.89 0.00 1.45 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.49 7.81 96 S 8.66 5.51 0.00 3.78 4.04 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 I 8.89 4.70 1.89 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 1.11 0.66 0.89 0.00 0.00 98 Q 8.68 4.97 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.62 0.00 99 T 8.76 4.57 4.08 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 0.76 0.00 0.00 100 E 8.49 3.93 0.00 1.90 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 2.23 2.23 0.00 101 F 8.15 5.00 0.00 2.99 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 0.00 102 A 8.38 4.47 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 0.00 103 H 7.68 4.98 0.00 3.09 3.12 0.00 5.94 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.66 4.32 0.00 3.24 3.39 0.00 5.50 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 0.00 105 G 8.69 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 0.00 106 G 8.76 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.37 0.00 2.08 2.07 0.00 3.87 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 108 Q 8.44 4.09 0.00 2.40 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 109 G 8.21 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 0.00 110 L 8.17 4.16 0.00 1.31 1.48 0.67 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.16 5.04 0.00 1.75 1.80 0.98 0.86 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 0.00 112 F 7.69 5.32 0.00 2.85 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 0.00 113 Q 7.81 4.62 0.00 1.80 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 1.92 1.54 0.00 114 V 8.38 4.80 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 0.89 0.00 0.00 1.16 0.00 0.00 115 D 8.46 5.02 0.00 2.94 2.75 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 0.00 116 G 7.49 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.43 5.02 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 0.96 0.00 0.00 0.92 0.00 0.00 118 A 9.16 5.41 1.22 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 0.00 0.00 119 Y 8.96 4.97 0.00 2.58 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 0.00 120 S 8.43 4.11 0.00 3.63 3.48 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 0.00 121 K 8.12 3.98 0.00 1.75 1.64 0.00 1.93 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 122 H 8.59 4.39 0.00 3.18 3.20 0.00 5.93 0.00 0.00 0.00 0.00 6.91 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.