NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2822 8.3149 121.7958 56.1812 33.3267 174.9097 7 L 4.7916 8.4066 125.5954 51.5086 44.2046 173.8937 8 H 5.0959 9.1916 116.6096 53.8316 32.5016 172.6487 9 K 4.5326 8.6641 120.0967 56.1227 33.2600 176.0634 10 E 4.9917 9.0888 123.3929 53.5620 33.3657 173.7907 11 P 4.8969 0.0000 0.0000 63.3121 32.1845 175.0143 12 A 5.0104 8.6283 122.3931 51.1597 23.1927 175.3646 13 T 4.6336 8.5388 114.9466 61.2918 72.1944 173.8937 14 L 4.2000 8.7022 128.3752 55.9950 42.2842 175.8358 15 I 4.2918 8.8225 127.6887 62.5098 38.3973 176.0839 16 K 4.5563 7.5834 121.4596 55.0382 35.5855 174.3250 17 A 4.3853 8.7502 131.0331 52.3510 18.8354 175.7792 18 I 4.2987 8.1175 122.9464 62.0917 38.2045 176.3216 19 D 4.6169 7.6000 119.4966 52.2911 41.4976 175.5764 20 G 3.9963 9.4043 106.0083 48.2767 0.0000 173.7376 21 D 5.0185 7.9695 114.9639 52.6726 41.2684 175.3380 22 T 5.2620 8.1102 116.0659 62.3795 72.4165 173.3864 23 V 4.7735 8.8728 117.5058 59.8239 36.9312 173.4614 24 K 5.1220 9.3388 124.7825 54.8820 34.4264 175.0302 25 L 5.3882 9.1892 126.2310 53.1552 46.7604 175.0638 26 M 4.8427 9.2139 122.3637 55.2623 33.5585 174.3607 27 Y 5.0773 9.4634 127.3825 56.4101 42.5093 175.4070 28 K 3.6416 9.3737 125.5588 57.3858 29.7962 175.9159 29 G 4.0073 8.4175 105.5198 45.2277 0.0000 173.5503 30 Q 4.9063 7.8570 118.8173 52.9942 32.4064 173.2909 31 P 4.9643 0.0000 0.0000 63.3501 32.2868 175.2416 32 M 4.8642 9.2742 121.8885 54.5933 36.4456 173.2522 33 T 4.9577 8.4619 121.2286 62.5515 70.7910 173.5019 34 F 5.1379 9.6539 124.9819 55.6486 42.1562 174.3038 35 R 5.0101 8.8990 123.7175 54.3444 32.0664 175.2216 36 K 4.3781 8.9282 127.3157 56.0324 32.5105 177.1466 37 L 3.7951 8.6011 126.0261 55.7361 42.7834 177.8202 38 L 3.9457 8.7994 120.4348 55.5102 39.3034 173.9968 39 V 4.9713 7.3005 110.0830 59.6453 35.6562 175.1521 40 D 4.8933 9.1101 123.7829 52.7170 43.3618 175.6443 41 T 4.6316 8.7606 114.6993 60.2020 70.7382 172.6989 42 P 4.3941 0.0000 0.0000 62.3254 32.8048 175.6959 43 E 3.8645 8.8429 124.0823 56.6535 30.3465 177.2024 *50 F 4.6889 8.6073 125.9674 58.0676 41.1249 175.2209 51 N 4.7478 8.2367 115.8036 52.6293 38.6516 173.5406 52 E 4.6524 8.1160 118.1017 53.5534 32.4935 174.5706 53 K 3.8881 8.1874 120.0415 57.9066 32.4826 176.3971 54 Y 4.5382 7.7721 122.1891 59.4639 35.6965 171.0165 55 G 3.6108 7.8139 107.7194 47.5467 0.0000 174.4150 56 P 4.3694 0.0000 0.0000 64.4609 31.2765 178.8521 57 E 3.9833 7.9926 117.1280 59.4349 29.5766 178.8421 58 A 4.0527 8.6328 121.0899 55.3840 17.9175 179.8980 59 S 4.1608 8.3933 113.4102 61.6700 62.8577 176.8099 60 A 4.0711 8.3708 123.6322 54.9879 18.1567 179.2980 61 F 3.9894 8.4851 119.1995 61.8185 39.5282 177.2809 62 T 3.8730 8.1439 115.1735 66.5650 68.2619 176.2070 63 K 3.8263 8.1624 121.3487 59.5212 32.1986 178.3985 64 K 3.8024 8.2669 119.9600 59.8547 32.2300 178.4456 65 M 3.8877 7.7980 118.6559 58.5831 31.6482 179.2635 66 V 3.7454 7.5902 111.0481 64.3020 31.8734 178.2678 67 E 4.1034 8.2478 117.6970 58.9522 29.4229 178.2371 68 N 4.6106 8.0156 113.4132 52.5354 39.4599 175.4330 69 A 4.4103 6.9279 123.3880 51.7702 19.1703 177.7874 70 K 4.2103 8.6778 120.2162 58.0541 33.6315 177.4379 71 K 4.6234 8.8020 119.6138 54.3989 35.2846 175.4112 72 I 4.9486 8.3721 125.3979 59.7307 39.7707 174.5249 73 E 5.2370 9.3128 124.8957 54.6593 33.9316 174.9677 74 V 4.6120 8.9216 115.6179 59.4759 35.0565 174.6118 75 E 4.9137 8.9108 124.9956 54.2491 32.0175 174.9951 76 F 4.5022 8.8199 125.7122 57.8038 39.9875 175.6502 77 D 5.0546 8.5157 121.1766 53.3937 43.1915 175.6131 78 K 4.3825 8.8104 116.3392 57.7510 33.7733 177.1840 79 G 4.4159 7.6087 109.5775 44.0424 0.0000 173.0384 80 Q 4.1112 8.6076 119.5895 56.5127 29.2791 176.6294 81 R 4.5765 8.5870 119.9246 56.9697 31.0941 176.2140 82 T 5.0786 7.5208 113.7717 61.5252 72.4354 173.6096 83 D 4.7864 8.6141 125.1762 52.0672 41.2416 176.9106 84 K 4.0279 8.3715 116.9202 59.1471 32.7191 177.0009 85 Y 4.3196 8.0200 116.0798 57.7424 38.0632 176.1801 86 G 3.9122 8.0663 107.7898 45.3766 0.0000 173.6837 87 R 4.3394 8.5426 120.1843 54.8267 31.6915 176.3898 88 G 3.4786 8.3333 111.5235 46.7761 0.0000 172.2219 89 L 5.2372 9.3398 126.0650 53.4141 42.5488 175.6459 90 A 4.5091 8.3314 125.0824 50.4930 23.6508 173.9363 91 Y 4.7486 8.6140 117.3616 57.2138 39.7099 175.0345 92 I 4.7525 8.7895 125.4077 59.7949 39.6784 174.2013 93 Y 5.0712 9.1178 124.3479 56.0260 41.2039 174.5095 94 A 4.8972 8.7894 125.3802 50.2407 21.3601 176.4323 95 D 4.3811 9.7731 125.1372 55.8892 38.9006 175.4780 96 G 3.9427 8.3964 104.7479 45.4686 0.0000 173.4785 97 K 4.4934 7.9063 120.4503 54.4626 33.7912 175.2379 98 M 3.8377 8.5224 123.7160 55.1549 32.8093 176.6558 99 V 3.6328 8.7401 127.8098 66.0852 31.7060 177.6319 100 N 4.2918 7.9597 115.6779 56.3017 38.4497 176.6306 101 E 3.8821 8.1158 119.8173 59.2995 29.6617 178.4867 102 A 4.0598 8.1017 120.6116 55.1471 18.4010 179.3876 103 L 3.4467 8.1854 117.6138 58.0241 41.6683 180.1113 104 V 3.8735 7.4996 118.7945 65.5474 31.2640 178.0810 105 R 4.0338 8.1355 117.8924 59.1048 30.0196 177.4195 106 Q 4.1514 8.0620 117.0644 55.4956 29.3504 175.4915 107 G 3.9847 8.2711 107.4042 47.9053 0.0000 174.6772 108 L 4.6233 7.8557 116.9789 53.9084 42.6882 176.5859 109 A 4.6967 7.4406 119.8145 50.7574 22.7052 175.9031 110 K 4.5418 8.4281 119.7278 54.8261 34.8528 176.2192 111 V 4.2867 8.6402 122.7125 63.0263 31.9103 175.8833 112 A 4.3306 8.5738 130.2139 50.6873 20.1732 176.6634 113 Y 4.4066 7.7491 116.5877 57.6290 38.6063 176.8282 114 V 3.7196 8.4926 122.3280 63.4463 32.3475 174.6508 115 Y 4.6028 8.6543 127.1931 56.7302 40.7943 175.5947 116 K 3.6695 9.4503 128.5062 57.4960 29.6931 176.2897 117 G 4.0435 8.3031 104.0461 45.6510 0.0000 174.2807 118 N 4.8775 7.8364 118.7528 51.7040 37.1732 174.2562 119 N 5.1333 8.0697 114.2268 52.1842 39.0941 177.0954 120 T 3.8461 8.4955 117.0946 67.3255 68.7607 174.7611 121 H 4.8257 8.0059 115.8348 55.6699 29.1746 176.3738 122 E 4.0152 8.3676 123.3299 59.7897 29.2859 179.1467 123 Q 3.9728 8.0278 117.3905 58.6957 28.9843 177.8733 124 L 3.9287 8.0067 120.9551 58.5092 42.0259 179.0718 125 L 4.0530 8.0783 118.5742 57.8046 41.5720 179.6875 126 R 3.9568 8.3104 118.3135 58.8064 30.0521 178.8859 127 K 3.8167 8.2431 119.3950 59.6042 32.2330 178.5938 128 A 3.9790 7.8504 120.6885 55.2660 18.2868 179.2494 129 E 3.8841 8.3769 117.5383 59.2185 29.6134 178.9206 130 A 3.7238 7.9705 121.0347 54.8618 18.3766 179.4691 131 Q 3.7549 7.9047 117.5081 59.1985 29.2053 178.0324 132 A 3.9488 7.9546 121.8741 55.1892 18.3696 179.5827 133 K 3.2801 7.5143 117.9029 59.1829 31.8795 178.9405 134 K 3.8647 7.9251 119.2945 59.0806 32.1148 177.5765 135 E 4.2953 7.8146 116.0617 54.9544 30.2006 176.1094 136 K 4.0794 7.5975 117.3533 55.8810 30.6058 174.7384 137 L 4.4313 8.1183 119.9022 55.1511 44.9848 176.2923 138 N 3.5486 9.1702 122.7550 53.9770 37.9416 176.3418 139 I 3.1540 5.4200 126.4586 64.7391 37.1068 176.5972 140 W 4.7242 8.0240 118.1750 56.7037 29.4404 176.6451 141 S 4.4210 8.1330 119.4910 58.5494 62.5513 173.9644 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 6 K 8.31 4.28 0.00 1.76 1.83 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 7 L 8.41 4.79 0.00 1.92 1.68 1.11 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 8 H 9.19 5.10 0.00 3.14 3.24 0.00 5.52 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 9 K 8.66 4.53 0.00 1.55 1.72 0.00 1.32 0.00 0.00 0.87 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.07 1.23 7.81 10 E 9.09 4.99 0.00 2.12 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 2.40 2.28 0.00 11 P 0.00 4.90 0.00 2.11 2.08 0.00 3.83 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 2.04 2.01 0.00 12 A 8.63 5.01 1.19 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 13 T 8.54 4.63 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 1.22 0.00 0.00 14 L 8.70 4.20 0.00 1.62 1.58 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.82 4.29 2.03 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 1.15 0.84 0.93 0.00 0.00 16 K 7.58 4.56 0.00 1.79 1.61 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.44 7.81 17 A 8.75 4.39 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 18 I 8.12 4.30 1.94 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 1.45 0.80 0.89 0.00 0.00 19 D 7.60 4.62 0.00 2.86 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 20 G 9.40 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 21 D 7.97 5.02 0.00 2.72 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.11 5.26 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 23 V 8.87 4.77 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 0.69 0.00 0.00 0.93 0.00 0.00 24 K 9.34 5.12 0.00 1.80 1.80 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.46 7.81 25 L 9.19 5.39 0.00 1.70 1.60 0.35 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.21 4.84 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.53 0.00 27 Y 9.46 5.08 0.00 3.27 3.10 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 28 K 9.37 3.64 0.00 1.30 1.57 0.00 1.47 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.08 0.46 7.81 29 G 8.42 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 30 Q 7.86 4.91 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 31 P 0.00 4.96 0.00 2.12 2.10 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 32 M 9.27 4.86 0.00 2.26 1.99 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 2.33 1.94 0.00 33 T 8.46 4.96 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 1.22 0.00 0.00 34 F 9.65 5.14 0.00 2.85 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 35 R 8.90 5.01 0.00 1.84 1.73 0.00 3.27 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 36 K 8.93 4.38 0.00 1.63 1.72 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.56 7.81 37 L 8.60 3.80 0.00 0.87 1.33 0.32 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.80 3.95 0.00 2.02 1.85 1.20 1.04 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 39 V 7.30 4.97 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 0.98 0.00 0.00 40 D 9.11 4.89 0.00 2.42 2.48 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 41 T 8.76 4.63 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 1.22 0.00 0.00 42 P 0.00 4.39 0.00 2.16 2.02 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 43 E 8.84 3.86 0.00 2.18 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 2.38 2.40 0.00 *50 F 8.61 4.69 0.00 3.03 3.10 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 51 N 8.24 4.75 0.00 2.77 2.83 0.00 0.00 6.69 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 52 E 8.12 4.65 0.00 1.98 2.00 0.00 0.00 0.00 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 2.15 0.00 53 K 8.19 3.89 0.00 1.60 1.67 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.70 1.11 7.81 54 Y 7.77 4.54 0.00 3.17 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 55 G 7.81 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 56 P 0.00 4.37 0.00 1.97 1.80 0.00 3.33 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.89 0.00 57 E 7.99 3.98 0.00 2.30 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 2.61 2.51 0.00 58 A 8.63 4.05 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 59 S 8.39 4.16 0.00 4.28 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 60 A 8.37 4.07 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.49 3.99 0.00 3.27 3.24 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 62 T 8.14 3.87 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 1.27 0.00 0.00 63 K 8.16 3.83 0.00 1.89 2.08 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.58 7.81 64 K 8.27 3.80 0.00 1.87 1.79 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.44 7.81 65 M 7.80 3.89 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 66 V 7.59 3.75 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 0.74 0.00 0.00 1.01 0.00 0.00 67 E 8.25 4.10 0.00 1.94 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 2.33 2.59 0.00 68 N 8.02 4.61 0.00 2.77 2.82 0.00 0.00 7.02 6.92 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 69 A 6.93 4.41 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 70 K 8.68 4.21 0.00 1.90 1.94 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.68 1.40 7.81 71 K 8.80 4.62 0.00 1.67 1.71 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.37 7.81 72 I 8.37 4.95 2.03 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 1.33 1.07 0.88 0.00 0.00 73 E 9.31 5.24 0.00 1.87 1.75 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 2.20 2.25 0.00 74 V 8.92 4.61 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 -0.20 0.00 0.00 0.60 0.00 0.00 75 E 8.91 4.91 0.00 2.14 2.32 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 2.51 2.39 0.00 76 F 8.82 4.50 0.00 3.05 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 77 D 8.52 5.05 0.00 2.71 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 78 K 8.81 4.38 0.00 1.90 1.98 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.56 7.81 79 G 7.61 4.42 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 0.00 80 Q 8.61 4.11 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 81 R 8.59 4.58 0.00 1.78 1.70 0.00 3.20 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.81 0.00 82 T 7.52 5.08 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 83 D 8.61 4.79 0.00 2.78 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 84 K 8.37 4.03 0.00 1.59 1.85 0.00 1.08 0.00 0.00 1.53 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.16 0.28 7.81 85 Y 8.02 4.32 0.00 3.09 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 86 G 8.07 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 87 R 8.54 4.34 0.00 2.04 1.80 0.00 3.12 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 88 G 8.33 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 0.00 0.00 0.00 89 L 9.34 5.24 0.00 1.59 1.64 0.90 0.54 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 90 A 8.33 4.51 0.77 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 0.00 0.00 91 Y 8.61 4.75 0.00 3.17 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 92 I 8.79 4.75 1.76 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.93 0.80 0.00 0.00 93 Y 9.12 5.07 0.00 2.80 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 94 A 8.79 4.90 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 95 D 9.77 4.38 0.00 2.79 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 96 G 8.40 3.94 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 0.00 0.00 0.00 97 K 7.91 4.49 0.00 1.89 1.75 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.50 7.81 98 M 8.52 3.84 0.00 1.84 1.56 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 2.32 0.00 99 V 8.74 3.63 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 1.11 0.00 0.00 0.87 0.00 0.00 100 N 7.96 4.29 0.00 2.88 2.90 0.00 0.00 6.76 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 0.00 101 E 8.12 3.88 0.00 1.95 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 2.37 2.36 0.00 102 A 8.10 4.06 1.66 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 0.00 103 L 8.19 3.45 0.00 1.88 1.65 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.50 3.87 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 1.45 0.00 0.00 1.02 0.00 0.00 105 R 8.14 4.03 0.00 1.79 2.06 0.00 3.34 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 106 Q 8.06 4.15 0.00 1.85 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.52 0.00 0.00 0.00 0.00 0.00 1.96 2.22 0.00 107 G 8.27 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 0.00 108 L 7.86 4.62 0.00 1.14 1.48 0.49 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.44 4.70 1.17 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 0.00 110 K 8.43 4.54 0.00 1.69 1.78 0.00 1.48 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.07 1.12 7.81 111 V 8.64 4.29 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 0.80 0.00 0.00 1.01 0.00 0.00 112 A 8.57 4.33 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 0.00 113 Y 7.75 4.41 0.00 3.07 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 0.00 114 V 8.49 3.72 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 0.83 0.00 0.00 1.05 0.00 0.00 115 Y 8.65 4.60 0.00 3.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 9.45 3.67 0.00 1.60 1.55 0.00 1.45 0.00 0.00 1.42 0.00 0.00 2.54 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.61 7.81 117 G 8.30 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 0.00 0.00 0.00 118 N 7.84 4.88 0.00 2.98 2.85 0.00 0.00 6.68 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 0.00 119 N 8.07 5.13 0.00 2.88 3.04 0.00 0.00 6.10 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 0.00 120 T 8.50 3.85 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 1.04 0.00 0.00 121 H 8.01 4.83 0.00 2.93 3.10 0.00 5.63 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.37 4.02 0.00 2.13 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 2.36 2.43 0.00 123 Q 8.03 3.97 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.61 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 124 L 8.01 3.93 0.00 1.75 1.86 0.90 0.54 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 0.00 125 L 8.08 4.05 0.00 1.79 1.73 1.08 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.31 3.96 0.00 1.82 1.98 0.00 3.34 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.89 0.00 127 K 8.24 3.82 0.00 1.99 2.03 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.45 7.81 128 A 7.85 3.98 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 0.00 129 E 8.38 3.88 0.00 2.11 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 0.00 2.13 2.57 0.00 130 A 7.97 3.72 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 0.00 131 Q 7.90 3.75 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 132 A 7.95 3.95 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 0.00 133 K 7.51 3.28 0.00 0.79 1.34 0.00 1.21 0.00 0.00 1.15 0.00 0.00 2.13 0.00 0.00 2.16 0.00 0.00 0.00 0.00 1.03 0.55 7.81 134 K 7.93 3.86 0.00 1.80 1.92 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.42 7.81 135 E 7.81 4.30 0.00 2.10 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 2.28 2.45 0.00 136 K 7.60 4.08 0.00 1.88 1.88 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.48 7.81 137 L 8.12 4.43 0.00 1.90 1.57 0.89 0.49 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 0.00 138 N 9.17 3.55 0.00 2.65 1.42 0.00 0.00 7.12 7.21 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 0.00 139 I 5.42 3.15 1.23 0.00 0.00 0.55 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 0.06 -0.33 0.00 0.00 140 W 8.02 4.72 0.00 3.55 3.14 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 0.00 141 S 8.13 4.42 0.00 4.02 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 * Residues marked with a * may have inaccurate shift predictions.