NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1002 H 4.8592 8.4449 116.3357 55.5132 30.1875 172.5111 1003 H 4.8725 8.2675 116.2586 54.7287 31.6180 171.5679 1004 H 4.9516 9.0019 120.5007 54.1962 32.5307 172.7782 1005 H 4.6940 8.6993 121.3196 54.6981 31.8464 172.0362 1006 D 5.0536 8.4411 127.1681 52.3816 42.7525 176.9028 1007 Y 4.4523 8.8443 123.1371 56.3934 39.5585 173.9610 1008 D 4.4020 8.7943 117.4216 51.2272 42.4988 175.5302 1009 I 4.9361 7.8106 132.2129 61.3574 38.1903 171.3485 1010 P 4.3917 0.0000 0.0000 63.5971 31.6114 173.7671 1011 T 4.6980 7.7535 108.3582 59.7581 71.3303 172.5686 1012 T 3.9070 7.3398 111.3792 62.0601 68.8782 172.9315 1013 E 5.3313 9.1601 130.3633 57.2366 29.7906 174.7554 1014 N 4.0990 8.2390 121.3864 52.6301 35.2610 173.4574 1015 L 3.9505 8.0911 121.7015 54.9869 42.4899 178.1407 1016 Y 4.4853 8.0557 124.5384 56.8582 37.2059 174.7988 1017 F 4.4342 7.8594 122.8093 59.7574 40.2436 177.9655 1018 Q 3.8416 8.0395 119.5830 58.8342 28.5144 178.9771 1019 G 3.8033 6.7331 105.1207 47.8905 0.0000 173.3595 1020 H 4.7478 8.1030 115.2192 55.5123 29.5757 173.9478 1021 M 4.2253 8.1419 120.6675 54.9473 32.7728 175.1621 1022 T 4.4287 8.2161 119.6931 60.0717 68.8523 173.6733 1023 I 4.0248 8.2369 130.3236 61.2108 37.9327 174.9962 1024 H 4.9057 8.7360 121.7757 53.7589 31.0768 173.5005 1025 K 4.7771 8.6121 122.7630 54.5161 34.9776 175.5713 1026 K 4.7284 9.3706 123.3030 54.7849 35.2450 175.3436 1027 G 4.5447 8.3466 108.2004 45.2508 0.0000 170.9843 1028 Q 4.8851 9.3832 119.3858 55.2765 32.8677 172.7608 1029 A 5.1511 8.2767 123.1963 51.3805 22.4675 174.9906 1030 H 5.1148 9.6750 118.9363 54.4707 33.8371 172.0528 1031 W 5.4142 8.2872 131.9318 55.9321 34.1341 173.5937 1032 E 4.5034 7.6487 124.4043 55.6620 32.7360 177.1151 1033 G 3.9107 8.8848 112.2852 45.7270 0.0000 172.0914 1034 D 4.5378 8.6309 118.8014 54.5029 41.0389 178.0995 1035 I 4.0200 8.1819 122.5105 64.1419 37.4276 178.3698 1036 K 3.8988 7.8728 121.6914 57.7976 32.6666 177.5656 1037 R 4.2568 7.6441 118.1677 58.1720 31.0297 176.2755 1038 G 4.3582 7.7237 103.8855 45.5178 0.0000 172.5166 1039 K 4.1878 7.6225 117.9748 54.4293 36.0344 175.6016 1040 G 4.0416 7.3398 106.5813 45.4480 0.0000 172.2896 1041 T 5.4919 9.0823 110.6708 60.1807 72.5226 173.0162 1042 V 5.0311 8.9475 117.3040 59.9136 34.5831 175.2652 1043 S 5.0071 9.7440 119.9742 57.2109 67.3369 173.1224 1044 T 4.9706 8.8898 118.4782 61.6595 71.2856 175.2597 1045 E 4.2150 8.5936 122.3378 59.2316 29.7876 178.6093 1046 S 4.1519 8.1746 114.4666 59.9394 63.1918 174.5869 1047 G 4.0986 8.2917 107.8290 45.5940 0.0000 175.6475 1048 V 3.4726 7.5030 118.9030 65.1420 31.7056 175.6517 1049 L 4.6365 7.7519 118.6404 53.0151 43.6500 176.3017 1050 N 4.4538 8.8776 122.3125 55.6632 39.4104 177.9620 1051 Q 4.7495 7.6711 115.1858 54.2895 30.1952 174.2914 1052 Q 4.1112 8.6758 118.7515 56.1325 29.6828 175.6437 1053 P 5.2178 0.0000 0.0000 63.2552 32.3919 174.8498 1054 Y 4.7668 8.7753 115.9732 57.1053 41.1400 174.1906 1055 G 4.2423 8.8934 108.9787 45.0822 0.0000 173.2607 1056 F 4.1601 9.1293 120.6313 60.7594 39.7961 176.9916 1057 N 4.6265 8.5267 117.8201 56.0072 37.2675 175.8627 1058 T 4.3751 7.9063 105.8025 61.3490 69.2733 174.4903 1059 R 4.3558 7.1549 121.6144 55.8352 30.5313 175.3559 *1064 K 3.9721 8.1272 116.6283 54.6469 32.9656 174.9888 1065 G 4.2027 8.1678 115.1900 45.1427 0.0000 171.6054 1066 T 4.4869 8.1764 115.8858 63.2453 69.1660 174.3270 1067 N 4.7541 8.0967 119.7626 50.3979 40.9700 173.9152 1068 P 4.1032 0.0000 0.0000 65.8377 31.4698 178.5741 1069 E 3.9140 8.1570 116.7536 59.4950 29.2856 178.8677 1070 E 3.8829 8.1195 118.4573 59.5254 29.6995 178.7994 1071 L 4.0239 7.6969 118.4401 57.7436 41.5489 179.6923 1072 I 3.8168 7.9278 120.0998 64.0880 37.0053 178.5348 1073 G 3.6453 8.6793 106.7198 47.7816 0.0000 175.3215 1074 A 3.9931 8.1253 123.4934 54.7518 18.4258 179.4140 1075 A 3.9322 8.0983 119.1251 55.6363 18.4870 179.0835 1076 H 4.1076 8.6114 116.7967 59.5019 29.8124 177.1404 1077 A 3.9815 8.2237 122.0495 55.2420 18.2997 179.3410 1078 A 3.9246 8.3156 119.5792 55.4966 18.4602 179.4199 1079 C 4.0652 8.7142 117.4225 62.6563 31.7956 175.6123 1080 F 4.1709 8.8139 122.6712 61.2942 39.0471 177.2803 1081 S 3.9251 8.9659 115.4154 61.7419 62.6354 176.3794 1082 M 3.9697 8.0495 120.6163 58.6357 31.9306 178.1539 1083 A 3.9245 7.9876 120.8490 54.7162 18.3499 179.4773 1084 L 3.5669 7.4083 118.8699 58.1880 42.0739 178.9959 1085 S 4.0357 7.6971 112.5927 61.3156 62.2914 175.5137 1086 L 3.8931 7.9325 122.8869 58.6687 41.5554 178.7184 1087 M 3.9785 7.9561 117.3447 58.5517 32.2729 178.3856 1088 L 4.3335 8.2802 119.3770 57.7898 41.7364 179.7432 1089 G 3.9647 8.3177 105.6508 47.4490 0.0000 175.3644 1090 E 4.1123 8.0648 118.8343 57.4978 29.4768 178.0249 1091 A 4.6331 7.9791 119.6725 51.4154 19.7453 177.3162 1092 G 3.5821 8.3823 106.8904 45.1693 0.0000 173.6233 1093 F 4.9697 7.5826 117.5723 55.8981 41.6718 174.8507 1094 T 4.8128 8.3113 118.1555 61.0833 71.2164 172.5010 1095 P 4.5609 0.0000 0.0000 63.0388 31.9627 176.5379 1096 T 4.2604 8.3819 111.9303 64.1560 69.8835 174.8966 1097 S 4.6189 7.6326 113.9660 57.3924 65.9537 174.2288 1098 I 4.8728 8.3980 126.4388 60.2114 40.3997 174.2545 1099 D 5.0624 9.1733 128.8736 52.7163 42.7194 175.7880 1100 T 5.1962 8.6169 113.5127 60.1131 71.7507 173.3983 1101 T 4.7929 9.7128 120.8826 61.7322 71.9834 172.9433 1102 A 4.9347 8.5053 125.7198 50.1834 21.8177 174.7777 1103 D 4.7036 9.2193 123.6946 52.6884 43.0982 175.1098 1104 V 4.5202 8.3388 126.7870 61.7580 32.9530 175.0212 1105 S 4.6122 9.5653 125.7255 57.0676 64.5124 173.1823 1106 L 4.8740 8.5416 128.2772 53.8894 42.5955 175.0586 1107 D 5.1591 8.9547 127.1532 52.4427 43.8821 176.6600 1108 K 4.0777 8.8021 121.3570 56.0506 32.5762 175.2299 1109 V 4.1561 8.4674 127.3071 62.2349 33.6362 174.9160 1110 D 4.1321 8.2040 127.5129 56.0789 38.8180 174.8466 1111 A 4.3103 8.6960 130.9417 53.1516 19.0295 176.5552 1112 G 4.0865 7.8709 105.3156 44.1878 0.0000 171.3980 1113 F 5.4056 8.3208 116.2446 56.0566 41.9953 175.4116 1114 A 4.5890 8.7573 120.3743 50.9400 23.0765 176.0744 1115 I 4.3964 8.5203 123.0012 61.7454 36.9858 175.9165 1116 T 4.3174 8.9197 118.8430 62.7347 70.3927 174.5663 1117 K 4.7981 7.4947 120.7245 55.6309 36.0393 173.7521 1118 I 4.9953 8.7840 126.9105 59.5901 40.6531 174.0539 1119 A 5.1120 9.1045 129.8875 49.5869 21.0695 175.3155 1120 L 4.8611 8.7433 123.7695 53.1039 43.6740 175.6180 1121 K 5.1009 9.0145 125.3666 54.6734 34.9323 174.6944 1122 S 4.9627 9.7169 121.6405 56.6036 66.7105 172.5014 1123 E 5.1092 9.6551 124.9645 54.8824 32.1410 174.9257 1124 V 4.9708 9.0082 125.1698 60.8822 34.8642 174.2288 1125 A 4.9071 8.8725 128.0692 50.0979 21.7625 175.3803 1126 V 3.9694 8.1531 121.6643 63.3405 33.6774 174.3678 1127 P 3.2308 0.0000 0.0000 62.6723 32.5048 176.6780 1128 G 4.0566 8.1439 116.0578 43.5619 0.0000 170.7568 1129 I 4.2353 7.4655 124.6271 58.7838 40.5484 175.4686 1130 D 4.4532 8.4929 123.8431 52.7482 40.1549 176.9191 1131 A 4.0233 8.8130 124.1317 56.0750 18.4074 179.6221 1132 S 4.2019 8.2224 111.2813 61.6537 62.5172 176.1684 1133 T 3.9566 8.6050 112.6543 64.7331 68.3474 175.7939 1134 F 4.1449 8.0355 123.1178 60.5959 39.4739 176.8985 1135 D 4.4413 8.3581 118.2847 56.9672 41.0595 178.3342 1136 G 3.5867 8.0018 105.8000 47.9224 0.0000 175.1608 1137 I 3.5412 7.2637 122.9357 64.1050 37.1631 178.5424 1138 I 3.3711 6.9523 113.4977 63.8662 37.2119 178.1410 1139 Q 3.9003 7.7056 119.1829 58.7553 28.6036 178.5309 1140 K 3.7831 7.8097 118.9892 59.9129 31.6776 179.1243 1141 A 4.1029 8.1833 120.6468 54.9788 17.9377 179.5813 1142 K 4.1484 8.5305 117.8390 58.9884 32.3906 177.9492 1143 A 4.7231 7.8826 118.0344 52.3081 20.4460 178.0828 1144 G 3.7742 8.5866 103.3995 45.2355 0.0000 174.2868 1145 C 4.3758 7.3780 115.7563 57.2660 30.6147 172.5879 1146 P 4.2048 0.0000 0.0000 66.2136 30.7034 178.9824 1147 V 3.5932 7.7374 114.6033 66.1469 31.3648 177.6650 1148 S 4.2277 8.0966 114.4015 61.7993 62.5297 176.5937 1149 Q 4.0999 8.0582 119.6336 58.3610 28.5115 178.0862 1150 V 3.9499 7.3749 117.6049 62.6345 32.0142 175.5378 1151 L 4.4089 6.9601 118.0557 53.8976 42.2969 176.6484 1152 K 4.2262 8.5079 121.4608 56.9963 33.4200 176.5724 1153 A 4.2842 7.5481 121.4192 51.6169 19.5092 176.7737 1154 E 4.1201 8.6729 120.5122 56.2764 30.9914 175.6982 1155 I 5.4524 8.6044 126.7719 58.8887 39.8474 174.8934 1156 T 4.6464 8.4698 116.8417 59.8545 72.1211 173.4379 1157 L 4.8410 8.3132 123.7357 53.8532 44.7804 174.8185 1158 D 5.2382 9.3206 127.9010 52.7229 43.0022 175.4600 1159 Y 6.0660 8.3215 120.0045 55.4735 41.7153 174.0678 1160 Q 4.5141 8.8307 118.2219 53.9539 32.5100 173.9973 1161 L 4.9604 8.4768 125.4685 53.1707 43.8893 175.3770 1162 K 4.2170 9.1487 126.7949 55.9729 33.5938 177.4160 1163 S 3.9776 8.6451 120.3898 59.0945 62.9707 172.1537 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 1002 H 8.44 4.86 0.00 3.36 3.47 0.00 5.43 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1003 H 8.27 4.87 0.00 3.12 3.20 0.00 5.66 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 1004 H 9.00 4.95 0.00 3.06 3.22 0.00 5.84 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1005 H 8.70 4.69 0.00 3.09 3.17 0.00 5.69 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1006 D 8.44 5.05 0.00 2.63 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 1007 Y 8.84 4.45 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 1008 D 8.79 4.40 0.00 2.57 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 1009 I 7.81 4.94 1.91 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 1.48 0.49 0.92 0.00 0.00 1010 P 0.00 4.39 0.00 2.01 1.97 0.00 3.52 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.99 0.00 1011 T 7.75 4.70 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 1.20 0.00 0.00 1012 T 7.34 3.91 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 1013 E 9.16 5.33 0.00 1.94 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 2.01 2.12 0.00 1014 N 8.24 4.10 0.00 2.91 2.89 0.00 0.00 6.91 7.85 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 1015 L 8.09 3.95 0.00 1.04 1.19 0.83 0.83 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 1016 Y 8.06 4.49 0.00 2.77 2.85 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 1017 F 7.86 4.43 0.00 3.09 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 1018 Q 8.04 3.84 0.00 1.65 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 1019 G 6.73 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 0.00 0.00 0.00 0.00 1020 H 8.10 4.75 0.00 3.22 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1021 M 8.14 4.23 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 1022 T 8.22 4.43 4.22 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 1.26 0.00 0.00 1023 I 8.24 4.02 1.85 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 1.41 0.63 0.91 0.00 0.00 1024 H 8.74 4.91 0.00 3.10 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1025 K 8.61 4.78 0.00 1.67 1.68 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.48 7.81 1026 K 9.37 4.73 0.00 1.66 1.69 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.37 7.81 1027 G 8.35 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1028 Q 9.38 4.89 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 1029 A 8.28 5.15 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 1030 H 9.68 5.11 0.00 3.27 3.17 0.00 5.76 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1031 W 8.29 5.41 0.00 3.53 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 1032 E 7.65 4.50 0.00 1.64 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 2.22 2.21 0.00 1033 G 8.88 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 1034 D 8.63 4.54 0.00 2.73 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 1035 I 8.18 4.02 1.86 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 1.18 0.53 1.06 0.00 0.00 1036 K 7.87 3.90 0.00 1.28 1.66 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.17 1.06 7.81 1037 R 7.64 4.26 0.00 1.95 1.93 0.00 3.34 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 1038 G 7.72 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1039 K 7.62 4.19 0.00 1.29 1.36 0.00 1.54 0.00 0.00 1.60 0.00 0.00 2.72 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.18 1.17 7.81 1040 G 7.34 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 1041 T 9.08 5.49 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 1.25 0.00 0.00 1042 V 8.95 5.03 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 0.27 0.00 0.00 0.96 0.00 0.00 1043 S 9.74 5.01 0.00 3.65 3.74 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 1044 T 8.89 4.97 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 1.26 0.00 0.00 1045 E 8.59 4.22 0.00 1.94 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 2.31 2.26 0.00 1046 S 8.17 4.15 0.00 4.00 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 1047 G 8.29 4.10 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 0.00 1048 V 7.50 3.47 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 0.94 0.00 0.00 1049 L 7.75 4.64 0.00 1.79 1.54 0.91 0.39 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 1050 N 8.88 4.45 0.00 2.68 2.83 0.00 0.00 7.04 7.08 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 1051 Q 7.67 4.75 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.64 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 1052 Q 8.68 4.11 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 1053 P 0.00 5.22 0.00 2.06 2.05 0.00 3.83 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 1054 Y 8.78 4.77 0.00 3.25 3.07 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 1055 G 8.89 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 0.00 0.00 0.00 0.00 1056 F 9.13 4.16 0.00 3.22 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1057 N 8.53 4.63 0.00 2.93 3.02 0.00 0.00 6.03 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1058 T 7.91 4.38 4.20 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 1.28 0.00 0.00 1059 R 7.15 4.36 0.00 1.82 1.92 0.00 3.28 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.31 0.00 *1064 K 8.13 3.97 0.00 1.79 1.76 0.00 2.00 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.46 7.81 1065 G 8.17 4.20 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 0.00 1066 T 8.18 4.49 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 1.20 0.00 0.00 1067 N 8.10 4.75 0.00 2.86 3.07 0.00 0.00 6.07 7.76 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 1068 P 0.00 4.10 0.00 2.11 2.06 0.00 3.58 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 2.05 1.99 0.00 1069 E 8.16 3.91 0.00 2.01 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 2.35 2.41 0.00 1070 E 8.12 3.88 0.00 2.13 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 0.00 2.37 2.41 0.00 1071 L 7.70 4.02 0.00 1.88 1.67 0.95 1.17 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 1072 I 7.93 3.82 2.01 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 1.43 0.67 0.89 0.00 0.00 1073 G 8.68 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 1074 A 8.13 3.99 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 1075 A 8.10 3.93 1.41 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 1076 H 8.61 4.11 0.00 3.29 3.43 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1077 A 8.22 3.98 1.40 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 1078 A 8.32 3.92 1.41 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 1079 C 8.71 4.07 0.00 3.07 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 1080 F 8.81 4.17 0.00 3.04 3.23 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 1081 S 8.97 3.93 0.00 3.89 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 1082 M 8.05 3.97 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 1083 A 7.99 3.92 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 1084 L 7.41 3.57 0.00 1.21 1.57 0.59 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 1085 S 7.70 4.04 0.00 3.93 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 1086 L 7.93 3.89 0.00 1.80 1.84 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 1087 M 7.96 3.98 0.00 1.94 2.12 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 2.54 2.86 0.00 1088 L 8.28 4.33 0.00 1.89 1.89 1.04 0.99 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 1089 G 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1098 I 8.40 4.87 1.89 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 1.40 0.78 0.95 0.00 0.00 1099 D 9.17 5.06 0.00 2.62 2.61 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 1100 T 8.62 5.20 4.38 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 1.47 0.00 0.00 1101 T 9.71 4.79 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 1102 A 8.51 4.93 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 1103 D 9.22 4.70 0.00 2.70 2.61 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 1104 V 8.34 4.52 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 0.84 0.00 0.00 0.93 0.00 0.00 1105 S 9.57 4.61 0.00 3.90 3.79 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1114 A 8.76 4.59 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 1115 I 8.52 4.40 1.87 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 1.39 0.57 0.90 0.00 0.00 1116 T 8.92 4.32 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 1.27 0.00 0.00 1117 K 7.49 4.80 0.00 1.80 1.62 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.51 7.81 1118 I 8.78 5.00 1.91 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 1.08 0.99 0.00 0.00 1119 A 9.10 5.11 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 1120 L 8.74 4.86 0.00 1.40 1.13 -0.07 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 1121 K 9.01 5.10 0.00 1.77 1.62 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.36 7.81 1122 S 9.72 4.96 0.00 4.03 3.86 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 1123 E 9.66 5.11 0.00 1.92 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 2.26 0.00 1124 V 9.01 4.97 2.15 0.00 0.00 0.00 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 1.18 0.00 0.00 1125 A 8.87 4.91 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 1126 V 8.15 3.97 1.85 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 0.77 0.00 0.00 0.86 0.00 0.00 1127 P 0.00 3.23 0.00 2.19 1.90 0.00 3.80 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 2.06 2.16 0.00 1128 G 8.14 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 0.00 0.00 0.00 1129 I 7.47 4.24 1.50 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.25 0.70 0.00 0.00 1130 D 8.49 4.45 0.00 2.84 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 1131 A 8.81 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1132 S 8.22 4.20 0.00 3.94 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 0.00 1133 T 8.60 3.96 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 1.34 0.00 0.00 1134 F 8.04 4.14 0.00 3.00 3.07 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 1135 D 8.36 4.44 0.00 3.20 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 1136 G 8.00 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 1137 I 7.26 3.54 1.54 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 1.83 0.89 0.71 0.00 0.00 1138 I 6.95 3.37 1.54 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 0.32 -0.05 0.39 0.00 0.00 1139 Q 7.71 3.90 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.67 2.55 0.00 1140 K 7.81 3.78 0.00 1.99 1.83 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.59 7.81 1141 A 8.18 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 1142 K 8.53 4.15 0.00 1.97 2.08 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.53 7.81 1143 A 7.88 4.72 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 1144 G 8.59 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 1145 C 7.38 4.38 0.00 3.19 3.20 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 1146 P 0.00 4.20 0.00 2.18 2.18 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 1147 V 7.74 3.59 2.15 0.00 0.00 0.00 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 0.95 0.00 0.00 1148 S 8.10 4.23 0.00 4.17 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 1149 Q 8.06 4.10 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.89 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 1150 V 7.37 3.95 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 0.83 0.00 0.00 0.96 0.00 0.00 1151 L 6.96 4.41 0.00 1.65 1.53 0.72 0.79 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 1152 K 8.51 4.23 0.00 1.85 1.91 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.41 7.81 1153 A 7.55 4.28 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 1154 E 8.67 4.12 0.00 2.11 1.82 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 2.30 2.29 0.00 1155 I 8.60 5.45 1.87 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 1.08 2.10 0.88 0.00 0.00 1156 T 8.47 4.65 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 1.22 0.00 0.00 1157 L 8.31 4.84 0.00 1.53 1.57 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 1158 D 9.32 5.24 0.00 2.67 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 1159 Y 8.32 6.07 0.00 3.19 2.95 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 1160 Q 8.83 4.51 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.90 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 1161 L 8.48 4.96 0.00 1.65 1.44 0.69 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 1162 K 9.15 4.22 0.00 1.64 1.67 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.49 7.81 1163 S 8.65 3.98 0.00 3.94 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 * Residues marked with a * may have inaccurate shift predictions.