NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4739 8.1927 115.3270 57.8289 63.2830 173.3097 6 L 2.6682 7.9769 130.0773 57.0885 41.5952 176.9529 7 Q 3.9553 8.2961 120.0736 60.2120 29.1916 179.2436 8 E 4.0222 8.0374 117.6666 61.0812 30.1881 180.5218 9 F 4.5421 8.4497 121.8626 61.0666 39.4542 177.3534 10 L 3.9056 8.3871 119.1735 57.4789 41.2369 179.1163 11 K 4.1661 7.5910 116.3220 58.4582 31.9484 178.8604 12 T 3.9010 7.2582 116.4799 64.1756 69.0976 174.5269 13 E 3.8892 7.7413 117.7694 56.0588 26.7033 173.4129 14 P 4.3105 0.0000 0.0000 62.4556 32.5939 175.9707 15 D 4.2734 8.1408 120.2898 54.5474 41.6789 175.4459 16 G 4.1063 8.3779 107.8122 43.4278 0.0000 173.7854 17 T 3.9536 8.6481 114.6966 62.3732 67.8295 175.1308 18 L 4.2158 8.6513 127.7338 57.2643 41.6266 179.4451 19 E 4.0682 8.0956 119.6150 59.2611 29.3448 179.5302 20 V 3.6578 7.6867 119.5137 64.8185 31.3928 178.5766 21 V 3.6312 7.9591 118.2699 65.7020 31.2787 177.7534 22 A 4.1601 8.2299 123.1205 55.6173 18.2323 180.0252 23 E 4.1617 8.5258 119.3769 62.8203 29.6844 181.1648 24 Q 3.9449 8.6619 119.1036 61.3868 28.0635 180.1180 25 Y 4.1185 7.9070 119.9559 58.1491 39.4548 175.9070 26 N 4.1944 8.4131 118.1933 54.6951 37.8429 171.5455 27 T 4.6236 8.6014 111.9069 60.3697 71.3526 172.8777 28 T 4.5098 8.1288 110.9366 60.5244 71.6586 174.9869 29 L 4.0388 8.5303 123.8829 58.5702 41.9355 178.9717 30 L 2.9734 7.8152 118.9409 57.8742 41.6344 178.3481 31 E 3.9494 7.8771 118.7095 59.2755 28.7913 178.7177 32 V 3.6164 7.8137 118.2489 65.8439 31.4824 180.4289 33 V 4.1200 8.3173 117.8407 62.8186 31.6106 176.8923 34 R 4.4931 9.4223 115.5292 55.4664 32.6546 176.0768 35 N 4.6055 7.5116 111.7323 53.0412 39.1512 175.0430 36 L 4.1657 7.6558 120.2739 53.5319 41.7527 175.9023 37 P 4.2183 0.0000 0.0000 65.2372 31.1912 177.2423 38 S 4.5705 7.8577 110.8497 58.0006 63.8066 174.2967 39 S 4.5263 7.6075 117.0932 58.8676 63.8120 174.1543 40 T 4.4220 8.6817 113.3225 60.3680 70.1074 173.0055 41 V 4.8312 8.2716 126.5894 61.2309 33.5740 174.9329 42 V 4.7246 8.8145 120.1769 58.8534 36.0627 172.9156 43 P 4.7484 0.0000 0.0000 62.2456 32.7747 177.9726 44 G 4.5492 9.4474 110.5704 49.5565 0.0000 174.1593 45 D 4.6822 7.2452 118.0094 55.1152 40.7427 176.8994 46 K 4.1447 8.6656 117.3594 57.2162 30.6800 178.3791 47 F 4.1553 7.9727 121.1422 61.8088 38.8802 176.9572 48 D 4.4945 8.2320 116.0896 57.5902 40.8965 178.3573 49 T 4.0664 7.9108 116.0278 66.5989 68.4354 176.8156 50 V 3.5578 9.0850 121.0692 63.7701 32.4556 176.0677 51 W 4.1384 8.3506 132.4065 53.5098 27.2150 174.4254 52 D 5.2205 7.3777 132.7852 54.6255 42.6606 179.5026 53 T 3.8142 7.2524 115.8891 66.8360 68.5008 177.2351 54 V 2.0000 7.2953 114.4189 64.0085 31.1654 178.3008 55 C 4.0791 6.9141 115.0498 62.1163 27.9203 175.4686 56 E 4.2502 8.0631 120.4155 58.2672 29.4270 176.9547 57 W 4.7739 7.7350 118.2110 56.2476 30.9078 177.2364 58 G 4.3627 7.8238 116.6172 45.8101 0.0000 175.2737 59 N 4.6899 8.8343 123.3498 53.2207 39.1249 174.1064 60 V 4.6860 8.9900 116.0845 59.9525 36.9862 174.3392 61 T 5.0791 8.9876 118.3675 62.5127 70.5581 173.9719 62 T 5.1122 9.1206 124.3444 62.1780 70.7510 173.7627 63 L 5.3403 9.5168 127.5327 53.2927 45.7670 175.0797 64 V 4.6881 8.9754 125.4216 61.3411 34.5919 173.4434 65 H 5.1801 9.0580 126.9708 54.8005 32.0187 172.1321 66 T 4.6972 8.8385 119.7303 59.6256 70.2912 174.1127 67 A 4.2052 8.6123 124.6256 54.2703 18.4328 177.9684 68 D 4.9031 7.4945 114.0750 54.4498 43.2566 176.7842 69 V 4.4779 7.3891 110.6311 59.4376 35.5897 174.1140 70 I 4.9008 8.1869 122.0272 59.7229 39.8182 174.7807 71 L 4.6473 8.9012 127.3986 52.6571 44.8746 175.6102 72 E 4.9021 8.2712 121.7226 54.3916 32.7540 175.4121 73 F 4.7697 9.1358 122.6738 55.7555 41.7820 174.1505 74 S 4.8583 9.3574 119.5439 56.3537 63.4516 174.1126 75 G 4.3201 8.4822 114.3098 43.4583 0.0000 171.6228 76 E 4.4566 8.1051 120.0904 55.8166 29.8843 177.1081 77 L 4.0277 8.2656 125.7506 54.1973 42.6925 174.7198 78 P 4.7396 0.0000 0.0000 62.3522 32.4780 176.3658 79 S 4.4311 8.9142 116.6507 59.1822 64.3254 174.2796 80 G 3.5932 8.6014 108.7250 46.6424 0.0000 172.4123 81 F 5.5822 6.6537 130.8456 58.5413 41.4213 173.4030 82 H 4.9027 8.9772 128.3720 55.3725 29.7963 176.2016 83 R 4.5328 8.6942 123.3266 57.6387 33.3620 173.7041 84 H 4.3156 9.7746 115.1803 56.8272 26.3905 175.7371 85 G 3.9701 8.8499 104.7700 45.8150 0.0000 173.1055 86 Y 4.5815 8.0145 115.9217 55.8385 43.0657 174.0886 87 F 4.6760 9.1127 124.6001 56.9207 40.8375 174.0691 88 N 4.8976 7.8748 124.6512 51.3423 39.9225 175.1619 89 L 4.3674 8.0838 123.7271 54.2951 43.2515 178.5752 90 R 3.9000 8.4010 121.0483 58.7448 30.7281 178.7742 *93 H 4.6328 9.7386 124.1135 54.4904 30.1010 175.5470 94 G 3.8653 8.7264 107.2200 47.9452 0.0000 173.9611 95 M 4.1742 7.7126 118.9974 54.1723 33.3601 175.0430 96 S 4.3263 7.9236 117.9944 57.3022 65.4454 170.9356 97 G 3.6948 7.6158 104.7963 44.8390 0.0000 172.0056 98 H 5.1773 8.3791 116.4473 54.1453 33.0037 172.6818 99 I 4.5542 8.8970 123.9180 59.5903 40.2733 176.2273 100 K 3.7500 8.1318 124.8633 54.1669 30.7340 176.9993 101 A 3.2391 7.4723 125.7617 55.1100 18.6217 180.1505 102 E 3.5927 7.8254 113.2897 59.1717 29.8281 177.7865 103 N 4.4408 8.5229 115.3969 53.8589 39.3468 174.2632 104 C 5.3058 8.8096 120.1727 58.7069 31.1051 173.4773 105 T 4.2452 8.6077 118.9522 63.9509 70.1631 174.3206 106 H 5.3114 8.3001 116.8584 54.0518 33.9300 172.6229 107 I 5.1708 8.7487 120.2153 59.7390 41.2608 174.1635 108 A 5.2521 9.1626 128.4083 50.0431 22.3983 174.6555 109 L 5.0230 8.7002 121.9225 53.0089 44.1220 175.4498 110 I 5.1573 9.0881 124.6888 58.9742 41.3089 173.7569 111 E 5.1673 8.9594 126.5119 54.7006 32.1802 174.9442 112 R 4.6609 8.6955 118.9797 55.4986 33.3462 173.5082 113 K 5.0402 8.5806 117.3473 55.0346 35.3542 176.8484 114 F 4.5941 8.4919 123.8588 57.2370 39.4935 174.6018 115 M 3.2353 10.6600 129.9671 56.0070 29.8167 178.4494 116 G 3.9055 8.7318 107.8129 45.0459 0.0000 173.5944 117 M 4.3930 7.7943 120.3290 54.0629 33.1315 175.2088 118 D 5.0919 8.8381 126.7901 55.2236 41.8299 176.1366 119 T 4.8981 9.0904 111.5318 60.2541 73.1944 172.6567 120 A 4.9279 8.2915 123.2852 50.8491 22.6599 175.3839 121 S 4.9124 9.3762 116.5793 57.1131 67.4659 172.9006 122 I 4.9071 8.9369 121.3250 59.4872 39.9328 174.6479 123 L 4.8345 8.7140 127.1012 52.7706 44.5858 175.4024 124 F 5.1180 8.7758 122.0986 55.9811 41.4234 174.8744 125 F 5.3697 9.8802 123.6432 56.2278 41.8000 175.5137 126 N 5.8566 8.6106 120.4634 51.0186 39.7423 176.0311 127 K 4.1238 8.6138 118.1860 58.0073 31.8461 173.5442 128 E 4.1872 8.3015 115.9076 57.3741 29.7442 177.6076 129 G 3.9633 8.5586 107.8204 45.7322 0.0000 173.2396 130 S 5.0785 8.2259 114.3569 56.1365 65.5014 173.0232 131 A 4.5271 8.3317 125.5929 51.9457 19.0738 177.4880 132 M 4.4475 8.7095 120.7279 56.7033 32.7421 176.0968 133 L 4.7116 7.5740 119.2441 54.1129 45.9887 173.7974 134 K 5.2126 8.8994 122.1624 54.8379 36.9473 175.2732 135 I 5.1054 8.9496 124.4715 59.5892 40.3862 174.5132 136 F 5.2246 9.4886 125.4187 55.2893 42.1398 175.0720 137 L 4.5230 8.5339 122.8046 54.8058 42.3958 177.5020 138 G 4.0081 8.8070 109.6254 46.1507 0.0000 172.5266 139 R 5.1382 8.2849 118.4559 53.8416 33.3876 175.7447 140 D 4.6730 8.5987 120.4632 52.6296 40.4499 176.1496 141 D 4.4247 8.7371 120.1627 58.0410 40.2393 177.6483 142 H 3.9565 7.5074 113.7621 56.8820 29.1167 175.1900 143 R 4.7933 9.0031 133.9826 57.3485 33.3766 175.3166 144 Q 4.3495 7.3464 116.5084 54.5245 29.7973 175.1549 145 L 4.4093 8.1397 119.4608 54.6782 42.3681 177.4601 146 L 4.0818 8.3590 122.4592 54.6706 42.0070 178.2966 147 S 4.0695 8.9312 119.9679 61.7276 62.7169 176.3831 148 E 3.8706 8.0881 121.5442 59.2136 29.2021 179.2592 149 Q 3.5047 7.8405 117.4761 58.7458 28.8328 178.7510 150 V 3.3989 7.7947 119.5948 65.8314 31.4285 178.2831 151 S 4.0913 8.2131 113.9735 61.3108 62.8158 176.2002 152 A 3.7664 7.6359 124.5634 54.5874 17.8817 179.2277 153 F 3.8210 8.0578 119.2787 61.9332 39.3835 177.1887 154 H 4.1423 8.4397 115.6446 59.0404 28.4121 177.9792 155 T 3.8762 8.1876 117.9862 66.3972 68.2358 176.5004 156 L 3.9207 8.2231 122.2795 58.0701 42.3098 178.6683 157 A 3.8297 8.0026 120.8411 55.0339 18.1397 179.5124 158 A 3.8672 8.2979 119.4555 55.5019 18.3385 179.6091 159 S 4.0298 8.1791 110.5871 61.8023 62.3815 176.2074 160 L 4.1769 8.3174 123.6120 58.1794 41.4290 179.8173 161 K 4.2352 7.9556 124.6159 59.4391 31.8352 180.2666 162 E 4.4691 8.1661 121.8416 59.0433 29.7887 180.9808 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 5 S 8.19 4.47 0.00 3.93 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 6 L 7.98 2.67 0.00 1.16 1.37 0.38 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.30 3.96 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 8 E 8.04 4.02 0.00 2.11 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 2.23 1.93 0.00 9 F 8.45 4.54 0.00 3.29 3.38 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 10 L 8.39 3.91 0.00 1.83 1.67 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.59 4.17 0.00 1.82 1.83 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.65 7.81 12 T 7.26 3.90 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 1.06 0.00 0.00 13 E 7.74 3.89 0.00 1.98 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 0.00 2.14 2.13 0.00 14 P 0.00 4.31 0.00 2.15 1.54 0.00 3.63 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.29 0.00 15 D 8.14 4.27 0.00 2.45 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 16 G 8.38 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 17 T 8.65 3.95 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 1.29 0.00 0.00 18 L 8.65 4.22 0.00 1.83 1.80 1.01 1.05 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 19 E 8.10 4.07 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 20 V 7.69 3.66 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 0.95 0.00 0.00 0.95 0.00 0.00 21 V 7.96 3.63 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 1.29 0.00 0.00 1.21 0.00 0.00 22 A 8.23 4.16 1.54 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 23 E 8.53 4.16 0.00 1.99 1.97 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 2.24 2.20 0.00 24 Q 8.66 3.94 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 25 Y 7.91 4.12 0.00 3.04 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 26 N 8.41 4.19 0.00 2.86 2.83 0.00 0.00 6.79 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 27 T 8.60 4.62 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 28 T 8.13 4.51 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 29 L 8.53 4.04 0.00 1.93 2.20 1.06 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.82 2.97 0.00 0.89 1.44 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.88 3.95 0.00 2.12 1.97 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 2.27 2.31 0.00 32 V 7.81 3.62 2.30 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 1.00 0.00 0.00 1.03 0.00 0.00 33 V 8.32 4.12 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 1.01 0.00 0.00 1.23 0.00 0.00 34 R 9.42 4.49 0.00 1.89 1.78 0.00 3.24 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 35 N 7.51 4.61 0.00 2.79 2.79 0.00 0.00 7.03 7.73 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 36 L 7.66 4.17 0.00 1.76 1.63 0.93 1.04 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 37 P 0.00 4.22 0.00 2.16 2.18 0.00 3.73 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 1.98 1.94 0.00 38 S 7.86 4.57 0.00 4.03 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 39 S 7.61 4.53 0.00 3.92 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.68 4.42 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 1.18 0.00 0.00 41 V 8.27 4.83 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 0.79 0.00 0.00 0.90 0.00 0.00 42 V 8.81 4.72 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 0.65 0.00 0.00 0.93 0.00 0.00 43 P 0.00 4.75 0.00 2.06 2.10 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 44 G 9.45 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.25 4.68 0.00 2.72 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 46 K 8.67 4.14 0.00 2.07 2.01 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.47 7.81 47 F 7.97 4.16 0.00 3.24 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 48 D 8.23 4.49 0.00 2.78 2.99 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 49 T 7.91 4.07 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 1.21 0.00 0.00 50 V 9.09 3.56 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 0.94 0.00 0.00 0.67 0.00 0.00 51 W 8.35 4.14 0.00 2.69 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 D 7.38 5.22 0.00 3.12 2.74 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 53 T 7.25 3.81 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 1.49 0.00 0.00 54 V 7.30 2.00 1.21 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 -0.25 0.00 0.00 0.23 0.00 0.00 55 C 6.91 4.08 0.00 3.07 2.99 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 56 E 8.06 4.25 0.00 2.22 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 0.00 2.66 2.56 0.00 57 W 7.73 4.77 0.00 3.38 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 58 G 7.82 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 59 N 8.83 4.69 0.00 2.67 2.82 0.00 0.00 6.52 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.99 4.69 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.94 0.00 0.00 61 T 8.99 5.08 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 1.26 0.00 0.00 62 T 9.12 5.11 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 63 L 9.52 5.34 0.00 1.79 1.78 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.98 4.69 2.24 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 1.07 0.00 0.00 1.20 0.00 0.00 65 H 9.06 5.18 0.00 3.20 3.19 0.00 5.92 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.84 4.70 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 67 A 8.61 4.21 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 68 D 7.49 4.90 0.00 2.76 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 69 V 7.39 4.48 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 0.78 0.00 0.00 0.94 0.00 0.00 70 I 8.19 4.90 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.25 0.89 0.00 0.00 71 L 8.90 4.65 0.00 1.46 0.98 1.03 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.27 4.90 0.00 1.61 1.69 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 2.09 2.17 0.00 73 F 9.14 4.77 0.00 3.04 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 74 S 9.36 4.86 0.00 3.89 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 75 G 8.48 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 0.00 0.00 0.00 0.00 76 E 8.11 4.46 0.00 2.00 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 0.00 2.35 2.33 0.00 77 L 8.27 4.03 0.00 1.27 1.27 0.55 -0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.74 0.00 2.19 2.09 0.00 3.99 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.06 0.00 79 S 8.91 4.43 0.00 4.01 4.13 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 80 G 8.60 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 81 F 6.65 5.58 0.00 2.97 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.98 4.90 0.00 3.25 3.24 0.00 6.06 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.69 4.53 0.00 1.78 1.79 0.00 3.42 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.23 0.00 84 H 9.77 4.32 0.00 3.27 3.37 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.85 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 0.00 0.00 0.00 86 Y 8.01 4.58 0.00 2.91 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 87 F 9.11 4.68 0.00 2.46 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 88 N 7.87 4.90 0.00 1.67 2.33 0.00 0.00 7.09 7.88 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 89 L 8.08 4.37 0.00 1.40 1.55 1.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.40 3.90 0.00 1.70 1.16 0.00 3.43 0.00 0.00 3.41 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.72 0.00 *93 H 9.74 4.63 0.00 2.95 2.80 0.00 7.19 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 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 95 M 7.71 4.17 0.00 1.93 1.82 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.30 0.00 96 S 7.92 4.33 0.00 3.76 3.63 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 97 G 7.62 3.69 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 0.00 0.00 0.00 98 H 8.38 5.18 0.00 3.06 3.23 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.90 4.55 1.79 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.61 0.79 0.00 0.00 100 K 8.13 3.75 0.00 1.61 1.61 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 1.10 7.81 101 A 7.47 3.24 0.17 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 0.00 102 E 7.83 3.59 0.00 1.79 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 0.00 2.17 2.15 0.00 103 N 8.52 4.44 0.00 2.85 2.82 0.00 0.00 6.49 7.99 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 0.00 104 C 8.81 5.31 0.00 3.06 3.08 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 0.00 105 T 8.61 4.25 4.30 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 1.28 0.00 0.00 106 H 8.30 5.31 0.00 3.12 3.16 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 0.00 107 I 8.75 5.17 1.80 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.89 0.53 0.00 0.00 108 A 9.16 5.25 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 0.00 109 L 8.70 5.02 0.00 1.40 1.10 0.72 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 110 I 9.09 5.16 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.50 1.02 0.00 0.00 111 E 8.96 5.17 0.00 1.84 1.84 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 2.30 2.30 0.00 112 R 8.70 4.66 0.00 1.90 2.08 0.00 2.75 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 113 K 8.58 5.04 0.00 1.64 1.77 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.66 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.41 7.81 114 F 8.49 4.59 0.00 3.07 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 0.00 115 M 10.66 3.24 0.00 2.27 2.41 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 116 G 8.73 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 0.00 117 M 7.79 4.39 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 118 D 8.84 5.09 0.00 2.58 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 0.00 119 T 9.09 4.90 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 1.32 0.00 0.00 120 A 8.29 4.93 0.54 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 0.00 121 S 9.38 4.91 0.00 3.05 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 0.00 122 I 8.94 4.91 1.75 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 1.21 0.83 0.31 0.00 0.00 123 L 8.71 4.83 0.00 1.57 0.91 0.75 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 124 F 8.78 5.12 0.00 3.05 3.08 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 0.00 125 F 9.88 5.37 0.00 3.16 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 0.00 126 N 8.61 5.86 0.00 3.00 3.03 0.00 0.00 7.01 6.50 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 0.00 127 K 8.61 4.12 0.00 1.80 1.77 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.03 7.81 128 E 8.30 4.19 0.00 2.13 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 0.00 2.38 2.33 0.00 129 G 8.56 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 0.00 130 S 8.23 5.08 0.00 3.96 3.82 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 0.00 131 A 8.33 4.53 1.05 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 0.00 0.00 132 M 8.71 4.45 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.77 0.00 133 L 7.57 4.71 0.00 1.80 1.53 1.10 0.51 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 0.00 134 K 8.90 5.21 0.00 1.86 1.46 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.47 7.81 135 I 8.95 5.11 1.83 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 1.46 1.05 0.87 0.00 0.00 136 F 9.49 5.22 0.00 2.98 2.99 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 0.00 137 L 8.53 4.52 0.00 1.54 1.61 1.24 0.57 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 0.00 138 G 8.81 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 0.00 139 R 8.28 5.14 0.00 1.75 2.02 0.00 3.17 0.00 0.00 3.46 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 140 D 8.60 4.67 0.00 2.76 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.74 4.42 0.00 2.58 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 H 7.51 3.96 0.00 3.45 3.20 0.00 5.79 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 9.00 4.79 0.00 1.67 1.91 0.00 3.27 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.40 0.00 144 Q 7.35 4.35 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.30 0.00 145 L 8.14 4.41 0.00 1.58 1.55 0.82 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.36 4.08 0.00 1.72 1.93 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.93 4.07 0.00 4.01 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 0.00 148 E 8.09 3.87 0.00 2.02 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 2.38 2.44 0.00 149 Q 7.84 3.50 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 150 V 7.79 3.40 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 1.03 0.00 0.00 0.84 0.00 0.00 151 S 8.21 4.09 0.00 4.04 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 0.00 152 A 7.64 3.77 0.64 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 0.00 0.00 0.00 0.00 0.00 153 F 8.06 3.82 0.00 2.66 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 0.00 154 H 8.44 4.14 0.00 3.34 3.40 0.00 5.87 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 0.00 155 T 8.19 3.88 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 1.22 0.00 0.00 156 L 8.22 3.92 0.00 1.90 1.92 0.92 1.49 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 0.00 157 A 8.00 3.83 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 0.00 158 A 8.30 3.87 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 0.00 159 S 8.18 4.03 0.00 3.90 4.09 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 0.00 0.00 0.00 160 L 8.32 4.18 0.00 1.72 1.67 0.81 0.83 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 0.00 161 K 7.96 4.24 0.00 1.89 1.72 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.38 1.32 7.81 162 E 8.17 4.47 0.00 2.03 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 2.27 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.