NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.4191 0.0000 0.0000 62.5322 31.9970 175.7385 5 H 4.4531 8.0362 120.1443 56.1800 30.0080 174.4667 6 L 4.4064 9.7165 123.0712 55.2244 42.8121 176.8413 7 S 4.6849 8.9934 119.0953 56.2861 66.1069 173.5425 8 S 4.0617 8.3724 115.5212 60.2929 62.1654 174.4211 9 G 3.9147 8.9393 115.4347 45.3308 0.0000 172.7814 10 E 4.5711 7.6146 118.6192 54.7055 31.3281 175.4916 11 V 4.4327 8.1023 119.3728 60.9520 34.2939 174.7185 12 A 4.7692 8.3313 127.9434 50.1847 21.7947 175.3521 13 S 4.4962 8.5952 116.0596 57.8362 63.1526 174.5348 14 V 4.4230 8.1154 120.8698 60.9348 32.0681 176.0594 15 L 4.1876 7.3929 119.2968 53.8399 42.0272 175.6126 16 P 4.4508 0.0000 0.0000 63.1210 31.9078 177.1332 17 L 4.1307 9.0975 122.3813 55.7143 43.2548 178.7567 18 G 3.8257 8.3447 107.3210 46.1507 0.0000 177.7314 19 K 4.0252 8.8459 123.7228 59.2064 32.5541 177.5284 20 Q 4.2449 7.9325 117.2761 56.2764 29.4124 177.3457 21 L 3.9127 8.1795 121.8413 58.4538 42.0455 178.9996 22 T 4.1020 7.8593 105.3177 63.3298 68.8318 174.4932 23 Q 4.3797 7.7739 119.8455 56.0510 29.4666 175.2129 24 T 4.4974 7.6061 116.1985 60.8206 69.8606 172.7547 25 P 4.5469 0.0000 0.0000 61.9651 32.4114 176.1712 26 S 4.5241 8.3262 115.1879 59.2771 63.2643 173.6309 27 A 4.7302 8.5807 123.4957 50.5608 22.4632 175.6267 28 A 4.1013 8.3997 121.9638 51.5932 19.1403 178.0344 29 L 4.1161 8.9421 123.6529 57.2652 42.3107 177.1783 30 F 5.0364 6.8967 110.4963 55.7809 40.1738 172.7710 31 K 4.6637 8.7763 122.4076 54.8024 34.3505 174.9375 32 E 4.8947 9.2377 123.6756 54.2402 33.0641 175.8044 33 H 4.1178 9.1184 117.9862 59.1788 29.7250 175.7223 34 R 4.6490 8.5579 115.4677 55.6829 30.8686 174.9804 35 L 4.9823 7.6265 119.5923 54.0097 46.2981 173.2552 36 E 4.8490 9.1059 126.2211 54.3467 32.8884 174.4854 37 V 4.9108 7.4865 125.3622 60.0094 35.6807 174.4323 *39 R 4.8018 8.0726 123.4662 56.2544 31.9239 173.3809 *41 V 4.2449 8.1427 118.0958 62.8790 32.5201 174.8760 42 L 4.8597 8.7523 128.7272 52.0254 44.3005 174.7099 43 P 4.8678 0.0000 0.0000 62.0116 32.9531 175.7173 44 A 4.2166 8.3852 123.7676 53.5877 18.5043 178.5086 45 G 3.9684 8.9860 112.2078 44.7836 0.0000 173.8088 46 K 4.1331 7.9390 122.3045 56.6743 33.2120 175.5781 47 Q 5.1967 8.6611 125.2042 54.0604 32.0901 174.8199 48 V 4.3105 8.7412 123.2268 60.7697 34.0312 175.5992 49 G 4.1855 8.6940 115.0154 45.6031 0.0000 172.7409 50 S 4.5919 8.4762 115.3888 59.0400 62.7898 172.7899 51 H 4.8347 8.8091 121.3124 55.3669 32.5115 172.2617 52 S 4.9351 8.3917 112.8603 57.2958 67.5695 173.6353 53 V 4.8170 8.1959 113.3903 59.4105 34.9127 176.9638 54 A 3.8956 8.8806 125.1221 54.3254 18.4622 177.9822 55 G 4.6252 7.9252 102.4799 42.9410 0.0000 171.5366 56 P 4.8773 0.0000 0.0000 62.9812 33.0731 175.0669 57 S 5.2861 9.1243 114.5327 57.6367 67.0054 172.9437 58 T 5.2336 9.0257 110.1542 60.0249 72.4131 172.8770 59 I 4.9475 8.8144 124.1408 59.7272 40.6472 173.9648 60 Q 4.9802 9.0548 129.2446 54.3062 31.6001 173.8689 61 C 4.6797 9.0242 127.8958 58.8688 31.7851 173.8030 62 L 4.3725 8.8242 128.1626 57.1929 42.2356 176.9662 63 E 4.5093 8.3346 114.0020 56.9210 32.2554 177.3956 64 G 3.9585 8.9716 107.7479 45.5645 0.0000 171.9820 65 E 4.9775 8.6824 119.7842 54.5543 33.5054 176.2074 66 V 4.8391 8.4893 124.4517 60.0137 35.4911 173.4509 67 E 5.0012 9.4012 124.5922 54.6546 31.8788 174.3581 68 I 4.8259 8.9151 128.4069 59.4254 39.9407 175.0355 69 G 4.3926 8.8980 115.4670 45.3369 0.0000 172.7209 70 V 5.0596 9.0261 116.8583 58.9239 36.9077 174.6175 71 D 4.4152 8.6302 121.5898 56.7233 40.4679 177.4198 72 G 3.8979 10.6197 112.6482 45.1288 0.0000 171.8625 73 A 4.3771 7.8233 120.7066 51.3377 22.3518 175.5431 74 Q 4.8635 8.4819 118.4965 54.2928 31.0332 175.4383 75 R 4.3351 9.0540 125.0848 55.0574 31.8325 175.9069 76 R 4.7894 8.6228 125.1672 55.1046 31.0456 175.1232 77 L 4.8254 8.8945 127.8517 53.9936 43.9844 176.0121 78 H 5.2618 9.6418 119.7402 53.2492 32.6507 173.3357 79 Q 4.3194 8.6125 120.1830 58.2702 28.9476 176.8432 80 G 4.0061 9.1396 113.8885 45.2144 0.0000 173.1627 81 D 4.6358 8.0531 120.7655 53.8492 42.2428 175.1266 82 L 5.0415 8.5072 124.5875 53.2405 44.4638 174.8531 83 L 4.6843 9.2171 129.2165 53.6587 44.1562 174.1369 84 Y 5.1652 8.6226 127.3320 56.2333 40.3627 174.2788 85 L 4.3617 8.8141 126.9046 52.4463 44.7187 176.7505 86 G 3.8656 8.0491 110.6614 45.2391 0.0000 172.5471 87 A 4.3634 7.9387 122.9155 52.9074 18.6015 178.1891 88 G 3.7746 9.0458 110.6471 45.6883 0.0000 173.2126 89 A 4.1854 7.9451 121.9874 51.1683 18.5902 178.1587 90 A 4.6155 8.8156 125.2904 52.2482 19.3655 176.1840 91 H 5.6593 9.1645 116.1325 55.1096 32.4045 172.1955 92 D 5.4168 8.6673 118.4111 51.6555 43.4762 174.3312 93 V 4.7880 8.6982 118.5130 61.3165 35.2611 174.0817 94 N 5.3741 9.3085 124.2098 51.1754 42.2430 173.5699 95 A 4.3061 8.9863 127.8708 52.3220 18.8666 177.9592 96 I 3.8438 8.8213 125.1208 64.2486 37.7796 176.1700 97 T 4.7080 7.5271 110.0203 59.0936 72.2552 172.5932 98 N 4.7598 8.5108 118.3106 54.2893 39.4901 174.4573 99 T 4.8925 9.0828 116.4550 61.1065 71.6614 172.2663 100 S 5.0889 8.6173 119.4671 56.5024 66.9292 172.5823 101 L 5.1753 8.3750 120.7494 52.9409 45.7972 174.9136 102 L 4.7335 8.9723 125.6782 53.6494 43.8155 175.0858 103 V 4.7859 8.3371 126.4272 61.4693 34.1415 173.9610 104 T 4.8955 8.7444 124.8718 61.6980 71.4193 173.3658 105 V 4.5644 8.7984 126.5315 60.8461 34.8074 174.5520 106 V 4.3019 8.7928 128.8442 62.7456 32.6921 174.4252 107 L 4.8872 8.4804 128.2578 53.1962 43.1528 177.2043 108 V 3.9559 8.3090 116.0923 61.4672 31.8824 175.6420 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 4 P 0.00 4.42 0.00 2.22 2.19 0.00 3.79 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 1.92 2.02 0.00 5 H 8.04 4.45 0.00 3.13 3.41 0.00 5.89 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.72 4.41 0.00 1.54 1.56 1.11 0.77 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 7 S 8.99 4.68 0.00 3.74 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 8 S 8.37 4.06 0.00 3.74 3.73 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 9 G 8.94 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 10 E 7.61 4.57 0.00 2.09 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 2.26 2.27 0.00 11 V 8.10 4.43 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 0.83 0.00 0.00 0.93 0.00 0.00 12 A 8.33 4.77 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 13 S 8.60 4.50 0.00 3.85 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 14 V 8.12 4.42 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 0.81 0.00 0.00 0.94 0.00 0.00 15 L 7.39 4.19 0.00 1.60 1.61 0.93 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.45 0.00 2.04 2.10 0.00 3.68 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 2.03 2.32 0.00 17 L 9.10 4.13 0.00 1.81 1.78 0.92 0.95 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 18 G 8.34 3.83 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 0.00 0.00 0.00 19 K 8.85 4.03 0.00 1.88 1.97 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.47 7.81 20 Q 7.93 4.24 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 21 L 8.18 3.91 0.00 1.81 1.70 1.06 0.54 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 22 T 7.86 4.10 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 23 Q 7.77 4.38 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 24 T 7.61 4.50 4.33 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 1.21 0.00 0.00 25 P 0.00 4.55 0.00 2.17 2.04 0.00 3.77 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 1.98 1.98 0.00 26 S 8.33 4.52 0.00 3.77 3.83 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 27 A 8.58 4.73 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 28 A 8.40 4.10 1.08 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 0.00 0.00 29 L 8.94 4.12 0.00 1.67 1.81 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 30 F 6.90 5.04 0.00 3.28 3.21 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 31 K 8.78 4.66 0.00 1.67 1.80 0.00 1.62 0.00 0.00 2.03 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.52 7.81 32 E 9.24 4.89 0.00 2.20 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 2.44 2.59 0.00 33 H 9.12 4.12 0.00 3.10 3.45 0.00 5.89 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.56 4.65 0.00 2.01 1.91 0.00 3.25 0.00 0.00 3.11 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 35 L 7.63 4.98 0.00 1.80 1.66 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.11 4.85 0.00 1.99 1.64 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 2.05 2.22 0.00 37 V 7.49 4.91 1.02 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 1.22 0.00 0.00 0.67 0.00 0.00 *39 R 8.07 4.80 0.00 1.94 1.85 0.00 3.29 0.00 0.00 3.22 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 *41 V 8.14 4.24 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 0.89 0.00 0.00 0.96 0.00 0.00 42 L 8.75 4.86 0.00 1.57 1.53 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.87 0.00 2.11 2.17 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 44 A 8.39 4.22 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 45 G 8.99 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 46 K 7.94 4.13 0.00 1.99 1.75 0.00 1.45 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.46 7.81 47 Q 8.66 5.20 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.46 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 48 V 8.74 4.31 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 0.86 0.00 0.00 0.92 0.00 0.00 49 G 8.69 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 50 S 8.48 4.59 0.00 3.88 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 51 H 8.81 4.83 0.00 3.18 3.30 0.00 5.29 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 52 S 8.39 4.94 0.00 3.73 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.20 4.82 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 0.83 0.00 0.00 0.99 0.00 0.00 54 A 8.88 3.90 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 55 G 7.93 4.63 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 0.00 0.00 0.00 56 P 0.00 4.88 0.00 2.33 2.33 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 57 S 9.12 5.29 0.00 3.95 3.96 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 58 T 9.03 5.23 4.28 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 1.29 0.00 0.00 59 I 8.81 4.95 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.70 0.91 0.00 0.00 60 Q 9.05 4.98 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 61 C 9.02 4.68 0.00 3.03 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 62 L 8.82 4.37 0.00 1.67 1.71 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.33 4.51 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 2.19 2.24 0.00 64 G 8.97 3.96 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 0.00 0.00 0.00 65 E 8.68 4.98 0.00 1.91 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 2.09 2.16 0.00 66 V 8.49 4.84 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 0.82 0.00 0.00 0.99 0.00 0.00 67 E 9.40 5.00 0.00 1.99 1.83 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 2.21 2.25 0.00 68 I 8.92 4.83 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 1.17 0.57 0.98 0.00 0.00 69 G 8.90 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 0.00 0.00 0.00 0.00 70 V 9.03 5.06 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 0.68 0.00 0.00 0.96 0.00 0.00 71 D 8.63 4.42 0.00 2.63 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 72 G 10.62 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 0.00 0.00 0.00 73 A 7.82 4.38 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 74 Q 8.48 4.86 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 75 R 9.05 4.34 0.00 1.69 1.85 0.00 3.28 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 76 R 8.62 4.79 0.00 1.80 1.89 0.00 3.42 0.00 0.00 3.35 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 77 L 8.89 4.83 0.00 1.60 1.56 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 78 H 9.64 5.26 0.00 3.06 3.23 0.00 5.83 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.61 4.32 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 80 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 81 D 8.05 4.64 0.00 2.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.51 5.04 0.00 1.60 1.54 0.97 0.95 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 83 L 9.22 4.68 0.00 1.76 1.65 0.91 0.58 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 84 Y 8.62 5.17 0.00 2.85 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 85 L 8.81 4.36 0.00 1.43 1.33 0.53 0.51 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 86 G 8.05 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 87 A 7.94 4.36 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 88 G 9.05 3.77 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 0.00 89 A 7.95 4.19 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 90 A 8.82 4.62 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 91 H 9.16 5.66 0.00 3.22 3.28 0.00 5.48 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.67 5.42 0.00 2.96 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 93 V 8.70 4.79 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 1.02 0.00 0.00 0.99 0.00 0.00 94 N 9.31 5.37 0.00 2.60 2.67 0.00 0.00 6.59 7.61 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 95 A 8.99 4.31 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 96 I 8.82 3.84 1.96 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 1.26 0.82 0.90 0.00 0.00 97 T 7.53 4.71 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 1.20 0.00 0.00 98 N 8.51 4.76 0.00 2.67 2.79 0.00 0.00 6.23 7.05 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 99 T 9.08 4.89 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 0.00 100 S 8.62 5.09 0.00 3.87 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 0.00 101 L 8.38 5.18 0.00 1.56 1.54 0.92 0.48 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 0.00 102 L 8.97 4.73 0.00 1.73 1.53 0.90 0.65 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 0.00 103 V 8.34 4.79 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 0.95 0.00 0.00 0.92 0.00 0.00 104 T 8.74 4.90 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 1.22 0.00 0.00 105 V 8.80 4.56 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 0.94 0.00 0.00 0.91 0.00 0.00 106 V 8.79 4.30 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 0.90 0.00 0.00 0.96 0.00 0.00 107 L 8.48 4.89 0.00 1.66 1.56 1.00 0.75 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 0.00 108 V 8.31 3.96 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 0.69 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.