NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 921 P 4.3628 0.0000 0.0000 62.0795 32.7500 175.4301 922 D 4.2411 8.2456 118.5274 53.2414 41.4678 176.1857 923 C 4.3722 8.6400 127.1555 58.5880 44.7223 173.5358 924 S 4.7626 8.1080 113.4249 58.1212 62.8421 173.5650 925 Q 4.6876 7.4260 118.5127 53.5727 32.0357 173.6148 926 P 4.5666 0.0000 0.0000 63.5012 32.5128 175.3785 927 L 5.0200 8.8856 125.9000 53.7641 45.7969 174.2269 928 D 5.3114 9.3022 127.5365 52.8047 42.7745 175.9521 929 V 5.2142 9.1216 122.9914 60.0455 34.9248 174.4498 930 I 4.8512 9.0358 124.8604 59.5875 40.0434 174.6112 931 L 4.6470 8.7380 127.1345 53.3398 43.3645 175.5485 932 L 4.8454 8.9015 128.9086 53.4722 42.2010 175.5829 933 L 4.3972 9.0856 126.2959 54.1368 43.3387 175.9333 934 D 3.4508 8.5550 122.1597 53.4958 41.5905 175.6799 935 G 4.2030 7.8557 113.4302 45.8937 0.0000 172.6401 936 S 4.8043 8.4935 115.1302 58.1258 62.5011 174.7892 937 S 4.0018 8.8741 117.3165 60.1805 63.0005 176.7474 938 S 4.1270 8.0365 114.4619 60.2674 62.8537 174.3978 939 F 4.6272 6.2830 112.0593 53.8501 39.7122 173.6062 940 P 4.1801 0.0000 0.0000 62.1815 31.8391 177.3493 941 A 4.0640 8.9433 125.3497 55.7178 17.7668 179.8345 942 S 4.2809 8.3598 111.7709 61.8603 62.7619 176.2464 943 Y 3.9747 8.6904 120.9838 61.0066 37.3560 178.0449 944 F 4.2350 8.4854 120.5846 61.6842 39.7807 176.5163 945 D 4.4708 7.9566 116.9341 56.9550 40.8029 177.5289 946 E 3.9422 8.0006 117.8069 56.7969 29.1640 178.7417 *948 K 4.0152 8.1332 120.8655 56.5109 34.2844 178.3269 949 S 4.0367 7.8856 112.9151 61.0555 62.1168 175.9734 950 F 4.1244 8.4557 123.4091 61.1544 39.0870 176.8049 951 A 3.4872 7.9154 119.7827 55.2096 18.2004 179.6240 952 K 3.8359 8.1738 116.7122 59.4850 31.9125 179.5232 953 A 3.9645 7.9857 121.2350 54.7861 18.2630 179.5080 954 F 3.8458 8.0338 119.3228 61.5334 39.2965 177.3410 955 I 3.8018 7.8541 118.2240 64.7470 36.9932 178.3394 956 S 4.2271 8.0721 114.7679 60.7880 62.7151 175.9332 957 K 4.2701 7.3908 118.5167 55.4978 32.9671 176.8705 958 A 3.8750 6.9836 122.3437 52.0328 19.0653 177.6754 959 N 4.5867 8.1897 120.0141 52.4850 37.5411 174.3414 960 I 4.9739 7.0767 121.4711 59.8084 38.8604 174.8890 961 G 4.0328 8.9116 107.9316 42.2392 0.0000 171.1639 962 P 4.2253 0.0000 0.0000 64.3820 31.3303 176.8148 963 R 3.9849 8.7726 119.6737 56.8852 29.0966 176.3129 964 L 4.7681 7.4741 118.2253 55.4483 44.6842 178.1764 965 T 4.9897 9.3801 126.5281 63.5127 70.1259 172.2851 966 Q 4.9610 9.1265 127.8845 54.3369 31.4417 174.0869 967 V 5.1817 8.6883 125.9792 61.3026 33.7884 174.4396 968 S 4.7861 9.0026 121.5553 56.3158 65.9961 172.6286 969 V 4.7328 8.7269 124.9369 61.2006 34.3067 174.3692 970 L 5.4131 8.9819 127.0935 52.9371 46.3693 175.2719 971 Q 5.1220 8.7262 117.3319 54.9299 32.2733 173.5195 972 Y 5.0789 7.9679 120.1912 54.7153 41.1670 175.8213 973 G 4.2122 8.0640 114.6256 46.6007 0.0000 175.6795 974 S 4.2592 8.1774 123.3707 60.6591 62.4330 173.7944 975 I 4.5228 7.6904 111.8221 59.4374 40.6237 173.4766 976 T 4.7619 8.0040 117.9248 62.5115 69.7892 174.0700 977 T 4.4434 8.4271 116.4834 59.7717 72.3051 173.2626 978 I 4.1661 8.1093 124.0789 60.4205 37.5134 174.9317 979 D 4.5450 8.7158 127.5225 55.3784 42.5020 176.7226 980 V 4.3310 8.0270 118.6377 60.2031 33.5187 173.6582 981 P 4.8906 0.0000 0.0000 61.2608 33.0763 176.0699 982 W 4.6274 8.7873 120.1773 58.3088 29.4825 177.6127 983 N 4.6181 10.5103 117.1326 53.6689 36.8819 175.4481 984 V 3.9826 7.2231 110.1408 60.6688 32.2016 176.0047 985 V 3.5375 8.5404 121.0381 63.1667 31.7014 175.9109 986 P 4.6815 0.0000 0.0000 62.9502 30.2692 176.4122 987 E 4.6877 7.8050 117.7252 55.0073 32.5093 177.4565 988 K 3.8681 9.0369 123.5568 59.8704 32.1682 179.0357 989 A 4.1108 8.0344 120.1087 55.2071 18.2381 179.1439 990 H 4.2041 8.2956 116.9018 59.3959 29.9759 177.4218 991 L 3.8994 7.8816 120.2392 57.8554 41.4651 179.1828 992 L 3.9493 8.4629 119.0673 58.1800 41.3691 179.8424 993 S 4.1264 7.9324 113.5648 61.6928 63.1446 176.5478 994 L 4.1380 7.8839 121.6422 57.3576 41.1044 179.6893 995 V 3.5956 7.6729 117.8597 66.1466 31.5927 177.2800 996 D 4.6191 8.1289 117.6824 56.8568 41.8269 178.5981 997 V 3.8599 6.9241 112.5560 59.2819 29.8153 175.0362 *999 Q 4.2578 7.4055 119.1946 54.9949 30.2337 175.3916 1000 R 2.9972 7.7869 121.7344 55.8628 30.3768 176.5535 1001 E 3.7989 9.0515 124.7450 57.1013 30.3060 177.9702 1002 G 3.5755 7.5737 106.5359 44.3418 0.0000 170.5676 1003 G 4.0172 8.8150 102.9140 44.0328 0.0000 171.5162 1004 P 4.9322 0.0000 0.0000 62.4998 33.0148 176.1667 1005 S 5.0281 8.2350 114.6494 57.6887 61.9063 174.5381 1006 Q 4.8928 7.5342 125.9277 54.4904 26.0611 175.7736 1007 I 3.3124 7.8331 124.2014 63.6911 37.5445 178.3935 1008 G 3.6571 8.6721 108.6405 47.2326 0.0000 175.1982 1009 D 4.3141 8.0269 120.7084 56.8775 41.2694 178.1219 1010 A 4.0972 7.8936 122.5000 54.6690 18.3781 179.4529 1011 L 4.1101 8.4121 119.3581 57.9458 42.0823 179.4321 1012 G 3.6206 8.1529 105.9642 47.7517 0.0000 175.3331 1013 F 4.0610 8.4416 123.4539 61.0090 39.3712 177.0212 1014 A 4.2990 8.4467 120.3407 55.2568 17.9424 179.8088 1015 V 3.6430 7.8156 115.9841 66.1820 31.9164 178.2318 1016 R 4.0781 8.2027 117.8775 59.5298 29.8935 178.4759 1017 Y 4.3735 8.3449 119.5407 60.5914 38.5950 177.4532 1018 L 4.6010 8.3269 118.2172 56.0717 41.9597 177.3949 1019 T 4.4427 7.6012 107.3158 61.0920 69.2597 174.7555 1020 S 4.4854 7.5542 117.7515 56.7338 61.1487 175.3900 1021 E 4.4612 8.0998 133.6138 55.1606 28.8363 177.8100 *1023 H 4.5994 8.3073 111.8474 54.9672 30.4408 173.9497 1024 G 4.2050 7.9651 108.4208 45.0762 0.0000 175.1121 1025 A 3.0037 7.3821 123.0054 51.6116 18.9065 176.4475 1026 R 4.5572 8.1337 121.0118 53.7801 31.5199 175.1500 1027 P 4.2585 0.0000 0.0000 63.7600 32.1068 177.4163 1028 G 3.9670 8.8405 109.2683 45.4273 0.0000 173.6106 1029 A 4.3610 7.0020 119.3828 51.5213 19.3452 177.9018 1030 S 4.3802 8.8384 116.3107 58.6326 64.4761 173.6813 1031 K 5.2658 8.3414 120.3827 55.0721 35.9873 174.9282 1032 A 5.1612 8.5516 122.0426 51.3336 23.3460 175.5128 1033 V 4.9178 8.9738 119.9004 61.2293 35.3420 174.2825 1034 V 4.8852 9.0448 128.2619 61.4277 33.4294 173.9611 1035 I 4.9445 8.7048 128.5852 59.2550 40.2789 173.9913 1036 L 4.8806 8.5020 130.1175 53.8439 42.9263 176.4548 1037 V 4.7332 9.3037 123.6015 60.3282 34.0598 175.7475 1038 T 4.9318 9.1168 116.0241 60.6227 70.0255 172.6828 1039 D 5.1765 7.7271 119.3730 51.5711 44.8094 174.1529 1040 V 4.0206 8.6102 115.4833 60.3274 32.1504 176.6853 1041 S 4.4624 9.6433 120.9066 58.4868 62.6169 174.6748 1042 V 3.8739 8.3725 121.3666 62.7088 31.7900 175.8633 1043 D 5.0153 7.5694 117.9545 50.6544 41.9207 175.8352 1044 S 4.1894 8.4212 114.7313 58.9619 62.9701 174.9559 1045 V 4.3312 8.1362 117.9321 61.1559 32.5529 177.7366 1046 D 4.3369 7.7052 118.4115 57.3779 40.6665 178.4783 1047 A 3.9494 7.9500 120.1885 55.2043 18.5539 179.2769 1048 A 3.9199 8.0262 118.5774 55.3375 18.3582 179.5220 1049 A 3.9480 8.3748 119.6472 55.3371 18.3393 179.4165 1050 D 4.2616 8.3220 116.4779 57.2629 41.3134 178.2306 1051 A 3.9744 8.3852 121.5152 55.0375 18.2712 179.5002 1052 A 3.9469 7.9933 119.2174 55.1692 18.4200 179.6981 1053 R 3.8235 7.7356 117.0018 59.9103 29.9830 178.7372 1054 S 4.1620 8.0966 113.6541 61.5461 62.8515 175.5956 1055 N 4.7585 8.0164 116.3846 52.2761 38.4439 175.1359 1056 R 3.7239 7.7743 117.6569 57.1533 28.3108 176.3945 1057 V 4.1577 8.2824 119.0485 61.8149 32.0300 175.5583 1058 T 4.0714 8.5955 126.4227 63.4215 69.4620 173.9106 1059 V 4.6722 8.1276 126.1302 61.3072 33.8216 175.4669 1060 F 5.0480 9.1267 126.7204 53.8730 40.2201 171.5057 1061 P 4.8358 0.0000 0.0000 62.2977 33.0049 175.0729 1062 I 4.4444 9.4581 126.7898 59.4139 39.3587 174.7769 1063 G 3.2778 8.8354 116.3266 45.1167 0.0000 171.3365 1064 I 4.8162 8.9472 126.3402 60.4005 39.8151 174.9650 1065 G 4.4635 10.1098 114.7187 44.9002 0.0000 173.9986 1066 D 4.4458 8.4811 122.1284 53.2551 39.8820 175.9099 1067 R 4.4007 8.2064 117.4380 56.7676 30.6856 174.5918 1068 Y 4.4860 7.0793 114.1311 55.9201 40.2690 174.7565 1069 D 4.6285 8.5222 120.0374 52.6987 41.0239 176.5171 1070 A 4.2762 8.7647 129.9554 55.1986 18.2881 178.8602 1071 A 3.9581 8.6421 119.7181 55.5405 18.4886 179.8187 1072 Q 3.9926 8.1813 116.1405 59.0710 28.7358 179.0859 1073 L 3.9958 7.9364 119.5455 57.7970 41.5935 179.3414 1074 R 3.9039 7.8598 118.3384 59.4245 30.0005 178.7064 1075 I 3.7254 7.7237 119.3914 64.3579 36.9160 178.1691 1076 L 3.9792 8.1123 118.7456 57.9184 41.6333 179.0959 1077 A 4.1028 7.9701 117.7161 52.3141 19.0110 179.6177 1078 G 3.6237 8.8911 108.3398 45.3529 0.0000 174.0584 1079 P 4.0997 0.0000 0.0000 65.8226 30.7799 177.5918 1080 A 4.1031 8.1145 121.0786 52.1966 19.9128 178.8886 1081 G 4.1124 8.0570 105.9693 45.7653 0.0000 177.1080 1082 D 4.4353 8.7542 123.7398 56.8449 40.8671 178.1706 1083 S 4.1052 8.2599 113.7798 61.0750 62.1755 174.5546 1084 N 4.8704 8.0922 114.7074 53.0268 38.7070 174.1036 1085 V 4.5433 7.5077 119.3218 61.6868 33.1158 175.3219 1086 V 4.5279 8.5852 126.6269 60.9977 34.5700 174.0264 1087 K 4.9785 8.7941 126.6113 54.5990 34.4221 175.2685 1088 L 4.6947 9.1956 125.9525 53.1179 43.9414 177.9570 1089 Q 3.9971 8.8647 122.4481 58.3209 29.2962 176.4399 1090 R 4.7191 7.5617 114.7517 53.4539 33.6483 176.3756 1091 I 3.2829 8.0156 120.3191 64.2411 37.5671 177.8435 1092 E 4.1813 7.8468 117.0165 58.2542 28.2844 177.7552 1093 D 4.5459 8.0567 118.9495 55.4701 40.9443 177.6699 1094 L 3.5632 7.5673 121.5842 57.5356 42.3050 176.6111 1095 P 4.5800 0.0000 0.0000 65.8775 31.7161 178.6179 1096 T 4.6921 7.2830 117.4353 62.3978 67.3814 176.3294 *1098 V 4.1037 7.8903 122.0701 63.3195 33.0960 176.1870 1099 T 3.8262 7.6079 109.3191 64.5390 68.5857 173.5883 1100 L 3.9183 7.7164 132.2871 54.9780 41.0973 177.8354 1101 G 3.9507 8.4440 116.2203 44.8852 0.0000 171.5281 1102 N 5.0032 8.2294 114.8364 52.9920 39.4853 176.6513 1103 S 4.0741 8.3141 115.5172 62.1133 63.0510 176.2468 1104 F 4.3248 8.2334 122.2740 61.1806 38.8518 176.5992 1105 L 3.6144 8.0364 119.5115 58.5622 41.5875 178.2484 1106 H 3.9704 8.7444 114.8494 57.2382 28.3066 177.7072 1107 K 3.9874 7.6686 121.3933 59.4089 31.9085 178.1740 1108 L 4.3587 6.6028 115.5639 56.4696 40.8252 175.2245 1109 C 5.0798 6.6217 115.8182 56.5179 42.6226 173.8786 1110 S 4.2972 8.1741 113.6304 59.7324 62.0198 176.2250 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 921 P 0.00 4.36 0.00 2.20 2.16 0.00 3.92 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 0.00 922 D 8.25 4.24 0.00 2.81 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 923 C 8.64 4.37 0.00 3.23 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 0.00 924 S 8.11 4.76 0.00 3.99 3.88 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 0.00 925 Q 7.43 4.69 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.93 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 926 P 0.00 4.57 0.00 2.02 1.95 0.00 3.53 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 2.08 2.25 0.00 927 L 8.89 5.02 0.00 1.73 1.47 1.00 0.92 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 0.00 928 D 9.30 5.31 0.00 2.40 2.01 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 0.00 929 V 9.12 5.21 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 1.07 0.00 0.00 1.00 0.00 0.00 930 I 9.04 4.85 2.02 0.00 0.00 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 1.14 1.12 0.97 0.00 0.00 931 L 8.74 4.65 0.00 1.47 1.55 0.52 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 932 L 8.90 4.85 0.00 1.85 1.84 1.06 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 0.00 933 L 9.09 4.40 0.00 1.64 1.55 0.75 0.99 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 0.00 934 D 8.56 3.45 0.00 2.73 2.41 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 0.00 935 G 7.86 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 0.00 936 S 8.49 4.80 0.00 4.00 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 0.00 937 S 8.87 4.00 0.00 3.64 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 0.00 938 S 8.04 4.13 0.00 4.04 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 0.00 939 F 6.28 4.63 0.00 2.65 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 0.00 940 P 0.00 4.18 0.00 1.94 1.94 0.00 2.20 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 941 A 8.94 4.06 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 0.00 942 S 8.36 4.28 0.00 4.17 4.26 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 0.00 0.00 0.00 0.00 943 Y 8.69 3.97 0.00 3.34 2.80 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 0.00 944 F 8.49 4.23 0.00 3.27 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 0.00 945 D 7.96 4.47 0.00 2.86 2.69 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 0.00 0.00 0.00 0.00 946 E 8.00 3.94 0.00 2.16 1.81 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 2.45 2.26 0.00 *948 K 8.13 4.02 0.00 1.83 1.76 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 0.81 7.81 949 S 7.89 4.04 0.00 4.00 4.02 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 0.00 950 F 8.46 4.12 0.00 3.06 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 0.00 951 A 7.92 3.49 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 0.00 952 K 8.17 3.84 0.00 1.88 1.84 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.70 7.81 953 A 7.99 3.96 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 0.00 954 F 8.03 3.85 0.00 2.61 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 0.00 955 I 7.85 3.80 1.88 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 1.62 0.87 0.93 0.00 0.00 956 S 8.07 4.23 0.00 3.98 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 0.00 957 K 7.39 4.27 0.00 1.49 1.72 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.51 7.81 958 A 6.98 3.87 1.11 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 0.00 0.00 0.00 0.00 0.00 959 N 8.19 4.59 0.00 2.74 2.67 0.00 0.00 7.02 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 0.00 960 I 7.08 4.97 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 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8.43 4.44 4.15 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 1.11 0.00 0.00 978 I 8.11 4.17 1.73 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.46 0.70 0.00 0.00 979 D 8.72 4.55 0.00 2.65 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 0.00 980 V 8.03 4.33 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 0.93 0.00 0.00 0.89 0.00 0.00 981 P 0.00 4.89 0.00 2.27 2.10 0.00 3.84 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 982 W 8.79 4.63 0.00 3.37 3.11 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 0.00 0.00 0.00 983 N 10.51 4.62 0.00 3.02 3.05 0.00 0.00 7.32 7.56 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 0.00 984 V 7.22 3.98 2.19 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 0.74 0.00 0.00 0.99 0.00 0.00 985 V 8.54 3.54 2.04 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 1037 V 9.30 4.73 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 1.01 0.00 0.00 0.99 0.00 0.00 1038 T 9.12 4.93 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 1.11 0.00 0.00 1039 D 7.73 5.18 0.00 2.74 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 1040 V 8.61 4.02 2.12 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 0.82 0.00 0.00 0.96 0.00 0.00 1041 S 9.64 4.46 0.00 3.76 3.84 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 1042 V 8.37 3.87 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 0.76 0.00 0.00 1.00 0.00 0.00 1043 D 7.57 5.02 0.00 2.72 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 1044 S 8.42 4.19 0.00 3.87 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 1045 V 8.14 4.33 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 0.85 0.00 0.00 0.93 0.00 0.00 1046 D 7.71 4.34 0.00 2.81 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 1047 A 7.95 3.95 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 1048 A 8.03 3.92 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 1049 A 8.37 3.95 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 1050 D 8.32 4.26 0.00 2.89 2.80 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 1051 A 8.39 3.97 1.39 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 1052 A 7.99 3.95 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 1053 R 7.74 3.82 0.00 1.84 2.13 0.00 3.11 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 1054 S 8.10 4.16 0.00 4.01 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 1055 N 8.02 4.76 0.00 2.85 2.84 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 1056 R 7.77 3.72 0.00 1.94 2.00 0.00 3.14 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 1057 V 8.28 4.16 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 0.83 0.00 0.00 0.98 0.00 0.00 1058 T 8.60 4.07 4.37 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 0.85 0.00 0.00 1059 V 8.13 4.67 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 0.82 0.00 0.00 0.98 0.00 0.00 1060 F 9.13 5.05 0.00 3.22 3.19 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 1061 P 0.00 4.84 0.00 2.05 1.95 0.00 3.71 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 2.28 2.11 0.00 1062 I 9.46 4.44 1.65 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 1.26 0.63 0.59 0.00 0.00 1063 G 8.84 3.28 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 0.00 1064 I 8.95 4.82 1.82 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.23 0.77 0.00 0.00 1065 G 10.11 4.46 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 0.00 1066 D 8.48 4.45 0.00 2.60 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 1067 R 8.21 4.40 0.00 1.85 2.16 0.00 3.20 0.00 0.00 3.41 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 1068 Y 7.08 4.49 0.00 3.12 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 1069 D 8.52 4.63 0.00 2.78 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 1070 A 8.76 4.28 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 1071 A 8.64 3.96 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 1072 Q 8.18 3.99 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 1073 L 7.94 4.00 0.00 1.86 1.70 0.58 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 1074 R 7.86 3.90 0.00 1.87 2.14 0.00 3.10 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 1075 I 7.72 3.73 2.02 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 1.52 0.57 0.91 0.00 0.00 1076 L 8.11 3.98 0.00 1.74 1.74 0.90 0.76 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 1077 A 7.97 4.10 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 1078 G 8.89 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 0.00 0.00 0.00 1079 P 0.00 4.10 0.00 2.16 2.22 0.00 3.84 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 1.95 1.98 0.00 1080 A 8.11 4.10 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 1081 G 8.06 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 1082 D 8.75 4.44 0.00 2.77 2.77 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 1083 S 8.26 4.11 0.00 3.85 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 1084 N 8.09 4.87 0.00 2.62 2.56 0.00 0.00 6.59 8.12 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 1085 V 7.51 4.54 2.23 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 0.71 0.00 0.00 1.00 0.00 0.00 1086 V 8.59 4.53 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 0.85 0.00 0.00 1.11 0.00 0.00 1087 K 8.79 4.98 0.00 1.71 1.83 0.00 1.83 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.45 7.81 1088 L 9.20 4.69 0.00 1.49 1.46 0.72 0.84 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 1089 Q 8.86 4.00 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.83 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 1090 R 7.56 4.72 0.00 1.93 1.88 0.00 3.11 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 1091 I 8.02 3.28 0.56 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.85 0.43 0.00 0.00 1092 E 7.85 4.18 0.00 1.89 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 2.27 2.37 0.00 1093 D 8.06 4.55 0.00 2.75 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 1094 L 7.57 3.56 0.00 1.37 1.56 0.05 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 1095 P 0.00 4.58 0.00 2.32 2.34 0.00 3.78 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 2.03 0.00 1096 T 7.28 4.69 4.37 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 1.20 0.00 0.00 *1098 V 7.89 4.10 2.28 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 0.84 0.00 0.00 1.17 0.00 0.00 1099 T 7.61 3.83 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 1.26 0.00 0.00 1100 L 7.72 3.92 0.00 1.64 1.79 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 1101 G 8.44 3.95 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 0.00 0.00 0.00 1102 N 8.23 5.00 0.00 2.77 2.90 0.00 0.00 6.81 7.57 0.00 0.00 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 S 8.31 4.07 0.00 3.92 4.02 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 1104 F 8.23 4.32 0.00 3.17 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 1105 L 8.04 3.61 0.00 1.75 1.55 0.49 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 1106 H 8.74 3.97 0.00 3.25 3.31 0.00 5.87 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1107 K 7.67 3.99 0.00 1.41 1.63 0.00 1.93 0.00 0.00 1.98 0.00 0.00 3.19 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.56 1.54 7.81 1108 L 6.60 4.36 0.00 1.58 1.20 0.94 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 1109 C 6.62 5.08 0.00 3.05 2.89 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 1110 S 8.17 4.30 0.00 3.79 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 * Residues marked with a * may have inaccurate shift predictions.