NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4023 8.3044 120.3275 54.7778 33.4769 174.1058 2 E 3.8141 8.4275 120.6028 55.3035 30.1177 174.7130 3 A 4.0308 8.7607 128.5144 52.7638 19.9517 176.8329 4 L 4.0266 8.5386 122.9175 56.8605 42.4619 178.2106 5 G 4.0022 9.9511 103.9622 44.6581 0.0000 172.2866 6 A 4.6804 7.2220 118.0956 50.7091 22.3605 176.0906 7 D 4.6542 8.8657 121.7446 53.7446 42.1330 175.9108 8 V 4.5931 8.4667 123.0640 61.4976 34.3516 175.4094 9 T 4.4252 7.7105 121.3590 61.3193 69.2621 172.9486 10 Q 3.8360 8.7890 125.5310 56.3622 28.5356 177.6277 11 G 3.9806 8.7359 110.9554 45.2601 0.0000 172.0362 12 L 4.8430 8.0065 119.5565 52.7216 45.5448 175.0860 13 E 4.9678 8.0960 118.4238 53.8755 33.4799 175.0990 14 K 4.1705 8.0127 121.9903 57.8883 32.3808 177.1661 15 G 3.9347 8.9621 115.3769 44.9254 0.0000 173.4151 16 S 4.3030 7.8107 115.1061 58.1398 63.7959 172.7054 17 L 5.1356 8.4143 126.3005 53.4008 42.8818 175.6455 18 I 4.6765 8.9931 117.0846 59.1954 41.8613 174.2066 19 T 4.5262 8.3931 118.8319 62.7773 70.1202 174.3557 20 C 5.3991 8.7952 126.8372 57.6103 31.4323 172.9507 21 A 4.4468 8.4004 128.6631 50.3568 17.2343 175.8143 22 D 4.8797 8.0091 120.1744 53.7635 40.9300 176.3638 23 N 4.8853 8.3496 115.1561 53.1964 37.8359 176.3112 24 T 4.0160 8.0134 109.9321 63.8009 69.8493 175.3024 25 G 3.8726 8.4261 110.2752 45.0169 0.0000 172.6983 26 A 4.6360 7.5860 122.5602 51.4440 19.3656 176.9329 27 R 4.2153 8.9030 122.7829 58.7812 31.3521 176.2555 28 E 5.1204 8.0527 119.3834 54.3013 32.6327 173.9986 29 L 5.1124 9.1200 125.2566 52.7017 45.9237 175.2191 30 K 4.9227 8.4778 123.7000 54.3375 34.5876 175.5792 31 V 3.9909 8.7363 128.3878 63.5462 32.2266 176.0000 32 I 4.3620 8.5644 125.5510 62.7405 39.9955 175.6638 33 S 4.6418 7.8483 115.0792 57.2229 68.1035 173.5443 34 V 4.4117 7.9245 120.9920 61.1808 32.8582 172.6455 35 H 3.8781 8.6995 124.7000 55.8955 29.8444 174.4830 36 G 3.8660 8.8193 113.4760 46.1151 0.0000 171.7071 37 Y 4.4738 8.2868 121.1387 55.5786 39.8288 174.8464 38 S 4.3839 7.7341 121.1331 56.2902 64.8562 173.2855 39 G 3.8751 8.1462 121.2265 45.1113 0.0000 170.8998 40 T 4.6116 8.0300 113.9176 59.2979 70.8198 173.7089 41 K 4.0140 8.3014 124.4765 57.5542 32.4998 176.8284 42 N 4.5601 8.9189 121.6896 53.4714 37.1071 174.4361 43 R 4.1575 7.3769 118.8024 55.6030 30.8000 175.5090 44 H 4.4225 8.6070 123.0599 54.6865 29.2568 172.9108 45 P 4.4462 0.0000 0.0000 63.3415 31.7505 175.9239 46 K 4.5181 8.0172 123.6835 56.2663 34.4956 176.0065 47 A 4.5310 9.0917 122.3422 50.8518 23.2995 175.6956 48 G 4.4708 9.5944 108.2884 43.8402 0.0000 171.2845 49 L 4.2260 9.9610 122.2793 57.1562 41.9777 177.2067 50 G 4.1574 8.8240 114.0787 45.0826 0.0000 172.4730 51 D 5.0566 7.9689 119.1982 52.3223 44.1608 175.5449 52 K 4.5311 8.6509 123.4062 55.4233 33.3554 175.2631 53 I 4.9274 8.1043 121.0549 59.4459 40.9887 174.8257 54 T 4.7090 8.6031 120.3435 63.0689 70.3021 174.1917 55 V 5.0890 9.2688 124.0468 61.5074 35.9449 173.3980 56 S 5.7692 8.5552 119.1530 55.4463 66.1542 173.4005 57 V 3.6460 8.2921 123.0264 63.2711 31.6133 175.9969 58 T 4.0735 8.8175 126.7064 65.0708 68.0782 174.6983 59 K 4.5837 9.2506 120.0290 54.3862 35.9222 176.5088 60 G 4.3094 8.5723 109.1897 44.1723 0.0000 172.3940 61 T 3.9173 7.9127 110.3027 61.2830 69.1982 172.9604 62 P 4.1945 0.0000 0.0000 66.2725 31.1690 178.5011 63 E 3.9589 8.1791 114.9569 59.8157 29.6369 178.8897 64 M 4.2179 8.2211 118.2310 56.6107 32.2439 177.1086 65 R 4.0967 7.0018 117.6307 57.3915 30.7111 176.4738 66 R 3.8944 8.1662 117.7014 57.1723 28.5256 175.9397 67 Q 4.4733 7.4291 116.9636 54.6834 30.7813 175.2712 68 V 4.4484 8.3577 123.8214 61.9596 31.9702 174.4456 69 L 4.9312 9.1594 127.7456 52.9244 46.0895 175.3052 70 E 5.1115 8.5500 118.2036 55.3433 32.3575 175.4214 71 A 4.8070 8.7433 123.0879 50.8585 23.7865 174.6602 72 V 4.3106 8.2692 116.6392 61.0055 34.9848 175.0157 73 V 3.5199 8.2973 128.1481 63.3211 31.4401 176.2968 74 V 3.7287 8.2663 129.4263 64.9680 32.8547 175.6515 75 R 4.2818 8.0030 117.6045 54.5930 35.0013 174.1937 76 Q 4.8604 8.0940 116.4509 55.7243 31.1950 175.5442 77 R 4.3507 9.4852 119.8712 58.2359 30.5361 177.7997 78 K 4.1860 7.8825 118.8913 55.4944 33.2023 175.2769 79 P 4.8273 0.0000 0.0000 63.2508 32.9829 174.8611 80 I 4.8924 8.3160 112.8137 59.5152 41.4226 173.9827 81 R 4.9714 9.1983 125.2556 55.4278 31.7586 175.2111 82 R 4.9501 8.3781 123.9073 54.0994 32.9351 175.8370 83 P 4.2200 0.0000 0.0000 65.9387 31.3691 176.9164 84 D 4.6308 8.2001 115.8843 53.2416 39.3142 178.0054 85 G 4.0744 9.1326 110.7562 46.2777 0.0000 174.8417 86 T 4.0717 7.2855 115.5400 63.8938 69.4812 174.1476 87 R 5.0420 8.3872 123.3834 55.2940 32.8139 176.1322 88 V 4.4173 8.4235 120.6081 61.5856 34.9089 173.5996 89 K 4.9300 8.4152 126.0944 55.2096 35.6689 175.2969 90 F 4.7890 8.7021 119.7923 55.5491 41.6688 176.6658 91 E 4.0181 9.0370 120.7451 58.9705 29.6853 175.6653 92 D 4.7187 7.6681 115.5981 52.6376 42.4845 174.2926 93 N 4.9486 8.5284 116.1192 52.4562 40.5817 174.2552 94 A 5.0404 8.5466 122.0492 51.4823 23.3812 175.0148 95 A 4.9369 9.0815 121.0562 50.3707 23.5880 175.1199 96 V 4.5422 8.0326 119.2038 60.9728 33.6335 175.8055 97 I 4.4004 8.1747 127.7133 61.7677 38.4849 174.7650 98 V 4.6492 8.5642 123.0384 61.9200 35.1332 173.8240 99 D 4.7724 8.4710 125.1600 51.3665 41.4523 176.6186 100 E 3.9335 8.8005 119.1223 59.5689 29.2798 177.1364 101 N 4.7215 8.7111 113.8343 52.6248 38.6362 174.5736 102 E 3.8592 8.5881 116.5884 58.0470 27.5666 174.2078 103 D 5.2983 8.2528 116.6614 50.3662 43.8862 173.9910 104 P 4.5965 0.0000 0.0000 62.3819 31.3105 175.8023 105 R 4.0157 8.9347 124.0838 59.2025 30.5444 177.8339 106 G 3.9995 7.7359 106.0476 45.5649 0.0000 172.4182 107 T 4.4772 9.1288 113.9739 63.8813 71.5153 174.2157 108 E 4.7839 8.0031 119.2769 54.3453 33.3615 175.2688 109 L 4.6336 8.0500 123.5353 53.9744 42.9854 176.3215 110 K 4.3683 8.4859 122.0024 55.9305 33.9305 177.7215 111 G 3.8721 8.7349 113.3138 43.9146 0.0000 170.7606 112 P 4.9488 0.0000 0.0000 62.4360 32.8268 175.3699 113 I 4.7062 8.3130 118.5590 59.3322 41.9756 174.8167 114 A 5.0565 8.0507 126.0415 51.4596 19.5050 179.2191 115 R 3.9665 9.4683 119.3551 59.5350 29.0676 179.3299 116 E 4.1330 8.2136 118.6597 58.8333 29.5310 179.1800 117 V 3.7316 7.8783 118.6382 65.7327 31.3780 177.5810 118 A 4.1769 8.1154 119.0775 56.2094 18.2088 178.6483 119 Q 3.8047 7.5183 112.6874 60.2514 28.8076 179.6993 120 R 4.0047 7.7127 120.1629 58.2046 31.0278 178.5563 121 F 4.6712 8.3896 125.2249 55.6480 39.3167 177.0491 122 G 3.5871 8.3170 111.1065 47.7559 0.0000 173.3250 123 S 4.7512 8.1646 118.0885 60.1635 62.4025 176.7267 124 V 3.6057 7.7656 120.7294 65.6655 31.6427 177.3103 125 A 4.1845 7.7036 120.8615 54.9190 19.0200 181.0187 126 S 4.5622 8.7710 113.5599 57.3769 61.8220 174.9676 127 A 4.3649 7.5582 119.7174 53.4292 22.3564 175.8638 128 A 4.6625 8.8809 122.1482 51.0836 19.2035 177.5506 129 T 3.9237 8.2712 121.5682 65.7020 69.3742 173.6408 130 M 4.7196 7.6908 119.9981 53.8128 35.1039 174.8903 131 I 4.7353 8.2442 122.3999 59.8714 40.6722 175.4019 132 V 4.0266 8.9629 127.3625 62.8289 31.5378 175.5338 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 1 M 8.30 4.40 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 2 E 8.43 3.81 0.00 1.94 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 3 A 8.76 4.03 1.26 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 0.00 0.00 4 L 8.54 4.03 0.00 1.65 1.73 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.95 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 6 A 7.22 4.68 1.26 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 0.00 0.00 7 D 8.87 4.65 0.00 2.65 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 8 V 8.47 4.59 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 0.84 0.00 0.00 1.02 0.00 0.00 9 T 7.71 4.43 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 1.22 0.00 0.00 10 Q 8.79 3.84 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.12 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 11 G 8.74 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 12 L 8.01 4.84 0.00 1.81 1.48 0.87 0.68 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 13 E 8.10 4.97 0.00 1.95 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 14 K 8.01 4.17 0.00 1.65 1.69 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.56 7.81 15 G 8.96 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.81 4.30 0.00 4.21 3.70 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 17 L 8.41 5.14 0.00 1.55 1.57 0.91 0.76 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 18 I 8.99 4.68 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.89 0.88 0.00 0.00 19 T 8.39 4.53 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 1.19 0.00 0.00 20 C 8.80 5.40 0.00 2.96 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.40 4.45 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 22 D 8.01 4.88 0.00 2.79 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 23 N 8.35 4.89 0.00 2.82 2.93 0.00 0.00 6.05 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 24 T 8.01 4.02 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 1.23 0.00 0.00 25 G 8.43 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 26 A 7.59 4.64 1.23 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 0.00 0.00 27 R 8.90 4.22 0.00 1.87 1.96 0.00 3.16 0.00 0.00 3.08 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 28 E 8.05 5.12 0.00 2.01 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 0.00 2.26 2.28 0.00 29 L 9.12 5.11 0.00 1.50 1.46 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.48 4.92 0.00 1.80 1.73 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.32 7.81 31 V 8.74 3.99 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 0.88 0.00 0.00 0.95 0.00 0.00 32 I 8.56 4.36 1.99 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 1.22 0.95 0.91 0.00 0.00 33 S 7.85 4.64 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 34 V 7.92 4.41 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 1.04 0.00 0.00 0.83 0.00 0.00 35 H 8.70 3.88 0.00 3.35 3.30 0.00 6.09 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.82 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 37 Y 8.29 4.47 0.00 2.93 2.98 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 38 S 7.73 4.38 0.00 3.68 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.15 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 0.00 0.00 0.00 40 T 8.03 4.61 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 1.23 0.00 0.00 41 K 8.30 4.01 0.00 1.76 1.70 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.47 7.81 42 N 8.92 4.56 0.00 2.95 3.02 0.00 0.00 6.98 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 43 R 7.38 4.16 0.00 1.78 1.89 0.00 3.41 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 44 H 8.61 4.42 0.00 3.32 3.19 0.00 5.77 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 45 P 0.00 4.45 0.00 2.08 2.41 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 46 K 8.02 4.52 0.00 1.67 1.76 0.00 1.57 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.18 1.16 7.81 47 A 9.09 4.53 1.10 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 48 G 9.59 4.47 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 0.00 49 L 9.96 4.23 0.00 1.76 1.65 1.01 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.82 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.97 5.06 0.00 2.67 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 52 K 8.65 4.53 0.00 1.99 1.75 0.00 1.69 0.00 0.00 2.06 0.00 0.00 2.72 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.42 1.56 7.81 53 I 8.10 4.93 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.92 0.86 0.00 0.00 54 T 8.60 4.71 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 55 V 9.27 5.09 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 0.83 0.00 0.00 0.89 0.00 0.00 56 S 8.56 5.77 0.00 3.90 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 57 V 8.29 3.65 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.00 0.00 0.00 58 T 8.82 4.07 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 1.35 0.00 0.00 59 K 9.25 4.58 0.00 1.67 1.66 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.41 1.52 7.81 60 G 8.57 4.31 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 0.00 61 T 7.91 3.92 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 1.24 0.00 0.00 62 P 0.00 4.19 0.00 2.17 2.18 0.00 3.60 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 2.12 2.21 0.00 63 E 8.18 3.96 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 64 M 8.22 4.22 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.71 0.00 65 R 7.00 4.10 0.00 1.92 1.86 0.00 3.29 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.71 0.00 66 R 8.17 3.89 0.00 1.96 2.02 0.00 3.14 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 67 Q 7.43 4.47 0.00 2.23 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 68 V 8.36 4.45 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 0.79 0.00 0.00 0.93 0.00 0.00 69 L 9.16 4.93 0.00 1.52 1.51 0.91 0.75 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 70 E 8.55 5.11 0.00 1.89 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 2.32 2.29 0.00 71 A 8.74 4.81 1.12 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 0.00 0.00 72 V 8.27 4.31 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 -0.10 0.00 0.00 0.15 0.00 0.00 73 V 8.30 3.52 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 0.82 0.00 0.00 0.90 0.00 0.00 74 V 8.27 3.73 1.92 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 0.77 0.00 0.00 0.86 0.00 0.00 75 R 8.00 4.28 0.00 1.52 1.02 0.00 3.11 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.20 0.00 76 Q 8.09 4.86 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 77 R 9.49 4.35 0.00 1.88 2.05 0.00 3.14 0.00 0.00 3.02 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.65 0.00 78 K 7.88 4.19 0.00 1.76 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.55 7.81 79 P 0.00 4.83 0.00 2.11 1.97 0.00 3.62 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 80 I 8.32 4.89 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.85 1.07 0.00 0.00 81 R 9.20 4.97 0.00 1.87 1.83 0.00 3.05 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 82 R 8.38 4.95 0.00 1.93 1.79 0.00 3.21 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 83 P 0.00 4.22 0.00 2.05 2.12 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 84 D 8.20 4.63 0.00 2.82 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 85 G 9.13 4.07 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 0.00 0.00 0.00 86 T 7.29 4.07 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 87 R 8.39 5.04 0.00 1.66 1.83 0.00 3.36 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 88 V 8.42 4.42 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 0.60 0.00 0.00 0.87 0.00 0.00 89 K 8.42 4.93 0.00 1.93 1.70 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.68 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 1.36 7.81 90 F 8.70 4.79 0.00 3.20 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 91 E 9.04 4.02 0.00 1.97 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 0.00 2.31 2.26 0.00 92 D 7.67 4.72 0.00 2.68 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 93 N 8.53 4.95 0.00 2.64 2.73 0.00 0.00 6.49 7.50 0.00 0.00 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 8.55 5.04 1.14 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 0.00 0.00 95 A 9.08 4.94 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 96 V 8.03 4.54 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 0.91 0.00 0.00 0.88 0.00 0.00 97 I 8.17 4.40 1.84 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 1.19 0.58 0.94 0.00 0.00 98 V 8.56 4.65 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.91 0.00 0.00 99 D 8.47 4.77 0.00 2.97 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 0.00 100 E 8.80 3.93 0.00 1.95 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 0.00 2.31 2.38 0.00 101 N 8.71 4.72 0.00 2.98 2.84 0.00 0.00 7.08 7.23 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 0.00 102 E 8.59 3.86 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 103 D 8.25 5.30 0.00 2.83 2.54 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 0.00 104 P 0.00 4.60 0.00 2.16 2.10 0.00 3.40 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 105 R 8.93 4.02 0.00 1.78 1.99 0.00 3.23 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 106 G 7.74 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 0.00 107 T 9.13 4.48 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 0.00 108 E 8.00 4.78 0.00 1.90 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 109 L 8.05 4.63 0.00 1.61 1.56 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.49 4.37 0.00 1.61 1.71 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.41 7.81 111 G 8.73 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 0.00 112 P 0.00 4.95 0.00 2.25 2.16 0.00 3.76 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 2.14 2.12 0.00 113 I 8.31 4.71 1.88 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 1.09 0.77 0.88 0.00 0.00 114 A 8.05 5.06 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 9.47 3.97 0.00 2.04 2.35 0.00 2.80 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 116 E 8.21 4.13 0.00 2.14 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 2.44 2.46 0.00 117 V 7.88 3.73 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 1.03 0.00 0.00 1.00 0.00 0.00 118 A 8.12 4.18 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 7.52 3.80 0.00 2.41 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 120 R 7.71 4.00 0.00 1.70 1.03 0.00 3.26 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 121 F 8.39 4.67 0.00 3.10 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 0.00 122 G 8.32 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 0.00 123 S 8.16 4.75 0.00 4.08 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.77 3.61 2.38 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 0.84 0.00 0.00 0.98 0.00 0.00 125 A 7.70 4.18 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 0.00 126 S 8.77 4.56 0.00 3.97 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 0.00 127 A 7.56 4.36 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 0.00 128 A 8.88 4.66 1.27 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 0.00 0.00 0.00 129 T 8.27 3.92 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 0.00 130 M 7.69 4.72 0.00 1.98 1.98 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 2.61 2.56 0.00 131 I 8.24 4.74 1.90 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 1.25 0.62 0.95 0.00 0.00 132 V 8.96 4.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.00 0.00 0.00