NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Y 5.0290 8.0033 118.3426 58.0091 39.3243 175.2973 4 K 4.2503 10.2724 123.8596 56.1301 34.4849 174.5860 5 N 4.9533 9.4854 119.4518 52.6352 42.4140 173.1208 6 I 4.4125 8.6139 128.7801 60.7749 38.7959 175.1421 7 L 4.6411 9.2205 130.2185 54.7625 43.3447 175.2425 8 T 5.0895 8.9304 123.8495 61.8372 71.0563 173.4002 9 L 5.3847 9.0764 126.7107 53.0019 44.9939 175.5049 10 I 5.2755 8.9134 122.8456 59.7709 42.2773 173.8831 11 S 5.0092 9.3684 123.4261 57.3197 64.9703 172.8407 12 V 5.0795 7.9054 118.7313 58.6440 36.0002 175.0638 13 N 4.4241 9.3537 119.5468 52.8927 39.1201 176.3632 14 N 4.1880 8.7119 118.1427 56.6667 38.3727 176.9913 15 D 4.5278 7.9491 117.9872 55.1939 39.9155 176.9359 16 N 4.7984 7.8366 117.4014 53.4517 39.0704 176.6419 17 F 4.5760 7.5732 120.6705 60.8042 38.8628 177.0514 18 E 4.0551 8.3533 115.9780 59.7581 29.1189 178.8669 19 N 4.5159 8.2222 115.7227 56.6751 38.6775 177.0670 20 Y 3.7541 8.5536 118.2834 60.9060 37.8786 178.3977 21 F 3.6143 8.8991 118.9178 59.8936 38.7995 177.7064 22 R 4.0412 7.7824 117.9814 59.2055 29.8240 178.6984 23 K 3.8547 7.5955 117.8860 59.2541 32.0119 178.9136 24 I 3.4242 7.0890 121.4851 63.8010 36.9198 178.5480 25 F 4.2145 7.6934 117.6207 60.1288 38.7581 177.9202 26 L 4.0356 7.7476 119.1500 57.9716 41.5517 179.2765 27 D 4.3910 8.2903 118.8836 57.2164 40.5455 178.9873 28 V 3.6104 7.8776 118.1084 66.0766 31.7261 177.9125 29 R 4.1534 8.2805 117.8857 59.6129 29.7448 179.3344 30 S 4.2620 7.9248 113.4519 61.1840 62.8520 176.5126 31 S 4.3889 7.7716 116.0992 59.8642 62.8787 175.4011 32 G 4.0314 8.0360 110.8145 45.1079 0.0000 173.7274 33 S 4.6607 7.5602 113.2252 57.5684 63.2169 173.6074 34 K 4.7319 8.6324 123.0248 56.1642 33.6847 175.5327 35 K 5.7571 8.2371 119.3379 54.4028 36.9868 175.1831 36 T 5.0162 8.4853 115.5359 61.3098 71.3200 172.0828 37 T 4.9707 9.0824 123.2744 60.6683 69.3970 172.8237 38 I 4.8373 9.0520 131.4575 60.3146 39.2313 174.7213 39 N 5.4443 9.6004 125.0228 51.5984 41.3629 173.5616 40 V 4.7573 8.8943 125.0396 61.2153 33.8445 174.5880 41 F 5.3314 9.0147 127.9086 56.9971 38.8013 174.8219 42 T 4.7394 8.8747 117.9020 61.4475 71.2601 173.6188 43 E 4.5583 8.8124 121.8322 56.1306 30.3648 176.6814 44 I 3.9994 7.5238 119.4800 60.6614 38.9598 175.7556 45 Q 4.4091 8.2300 123.4037 54.8879 31.0676 176.1301 46 Y 3.8730 8.5636 123.1967 61.5059 38.8351 178.8651 47 Q 3.9384 8.2255 117.9376 59.0490 28.8261 178.6437 48 E 3.8723 7.9839 119.7825 58.8718 29.6958 178.4284 49 L 3.4610 7.6414 120.3675 58.1277 41.9398 179.0396 50 V 3.1812 7.1756 116.7973 66.2007 31.1688 177.8820 51 T 3.9376 7.4794 115.0244 66.5116 68.0851 176.7585 52 L 4.0085 7.5176 120.0093 56.9735 41.8607 178.6429 53 I 4.1699 7.3326 111.1539 60.6346 37.7013 177.1100 54 R 3.7542 7.3593 122.5880 60.2377 29.6881 177.9637 55 E 3.8441 8.1184 117.9290 59.2323 29.4554 178.4457 56 A 3.9612 7.8803 120.2682 55.1394 18.3191 179.4474 57 L 3.6437 7.6964 116.5036 57.6539 41.7412 179.2178 58 L 4.0359 7.7526 119.3377 58.2437 42.1705 178.7338 59 E 4.0936 8.1622 117.1395 58.0451 29.8849 177.0022 60 N 4.8975 7.3051 117.1031 52.0990 39.3636 176.4178 61 I 3.6984 7.8549 119.9051 64.1978 38.3590 176.4649 62 D 4.4871 7.9534 118.8719 56.7407 40.9673 176.4606 63 I 4.2591 7.6538 120.7878 60.8924 37.9663 176.1626 64 G 4.1842 9.4252 115.5047 45.8404 0.0000 172.2300 65 Y 6.2499 7.9541 120.5869 55.5395 41.5028 173.7684 66 E 4.7071 9.0642 118.6880 54.4188 33.6798 174.5256 67 L 5.2360 8.2680 124.3000 53.3323 44.9344 175.3849 68 F 4.7366 9.2804 124.6014 55.5741 42.5346 173.7752 69 L 4.9724 8.1783 122.9724 52.6953 43.9402 175.9045 70 W 5.4086 9.1565 122.6177 54.8334 33.0616 175.5007 71 K 4.8649 9.6815 123.5814 55.2034 32.6990 178.3140 72 K 4.0338 8.4782 120.4084 59.6281 32.0339 178.5175 73 N 4.7777 8.2325 113.3809 53.8646 37.9439 175.1254 74 E 4.7884 8.9196 119.0570 56.4458 30.2009 177.7660 75 V 3.8124 7.6787 120.5491 66.1783 31.3372 177.7953 76 D 4.3120 8.1080 118.5031 56.3668 39.1523 178.5906 77 I 3.6119 7.6082 121.3410 63.8395 37.1087 177.9269 78 F 3.2228 7.1967 120.9017 61.1196 38.8964 177.0589 79 L 3.3160 7.4780 116.9832 57.2125 41.5910 179.2722 80 K 3.9519 7.7750 119.5961 59.6398 32.2320 178.7659 81 N 4.2803 8.2232 117.0430 56.0513 38.3674 177.0370 82 L 3.7995 7.4545 121.7509 57.9911 41.7466 178.8100 83 E 3.9687 7.7609 117.8241 58.4027 29.4195 177.7515 84 K 4.3351 7.7098 115.7146 56.0252 33.0062 176.0366 85 S 4.3896 7.6590 115.1333 57.1305 62.8596 173.6080 86 E 4.3534 8.6421 129.2337 54.9822 28.2449 175.1134 87 V 4.8320 7.9872 117.5984 59.3007 34.9739 175.4275 88 D 5.0207 9.0768 119.6582 52.7397 40.9550 175.3655 89 G 3.9549 8.0452 105.7057 44.2684 0.0000 171.1202 90 L 5.3739 8.4340 121.5267 53.0117 45.7196 175.1380 91 L 5.1029 9.0244 125.3073 52.8509 45.4834 175.5546 92 V 4.7897 8.1745 122.7148 61.2791 34.6147 173.8369 93 Y 5.6774 8.9804 124.5649 56.8423 42.2857 171.8072 94 C 5.6692 9.4970 116.4070 55.9651 40.8824 172.0110 95 D 5.0896 8.2485 118.5263 51.2886 42.2314 176.6353 96 D 4.4100 8.9002 117.6826 57.7466 40.7990 179.3832 97 E 4.0686 8.2079 116.5053 58.5966 29.4672 177.2673 98 N 5.0587 8.2584 114.5417 52.6241 39.7913 176.1428 99 K 3.9263 7.9251 121.6233 59.5441 32.8552 178.4422 100 V 3.6897 7.9542 118.1864 66.0468 31.8843 177.6295 101 F 4.2574 7.7792 117.4284 59.7234 39.0436 176.3383 *103 S 4.3311 8.0548 116.9841 58.3595 64.6296 176.0634 104 K 3.9851 7.7531 119.4677 59.4017 32.1672 178.6330 105 I 3.6109 7.0968 119.6093 64.3302 36.9725 178.4831 106 V 3.5474 7.5617 118.4417 66.2275 31.1269 177.6056 107 D 4.4073 7.8546 117.3868 56.7423 40.6627 177.4878 108 N 4.7212 7.5199 114.3786 52.1701 39.1283 175.2947 109 L 4.2796 6.9374 120.9598 53.3593 42.7755 175.7528 110 P 4.3535 0.0000 0.0000 62.8669 33.2348 177.6096 111 T 3.8189 8.5785 118.0497 67.1332 68.2575 176.6243 112 A 4.0523 7.9795 120.2873 55.1818 18.6020 179.3724 113 I 3.8920 7.6401 117.8681 64.5435 37.2015 178.6002 114 K 4.0431 7.8136 117.9572 59.3191 31.9200 179.1274 115 R 4.1995 7.8925 116.6361 57.4259 30.4759 176.6485 116 N 5.0347 7.9287 117.5231 52.4255 39.3504 174.3526 117 L 4.3718 7.9505 120.7536 55.3984 42.5683 175.9756 118 I 4.1127 8.7173 128.1844 63.4569 38.1884 176.6960 119 K 4.4748 7.5607 121.6839 55.0613 35.7835 174.2005 120 D 4.8513 8.6696 126.2009 52.5732 43.1737 174.7905 121 F 4.1951 8.5085 131.7213 55.8325 37.8064 173.0878 122 C 4.8984 7.9045 124.4178 56.9804 52.1642 175.7538 123 R 3.7404 8.7632 122.2947 59.0429 30.0701 178.1750 124 K 4.2307 7.7204 114.1770 56.4926 32.5500 176.9397 125 L 3.9928 7.5061 120.7771 54.5107 42.1097 177.2674 126 S 4.3232 8.4716 116.3529 58.5212 63.2852 173.9398 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 3 Y 8.00 5.03 0.00 3.18 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 4 K 10.27 4.25 0.00 1.87 1.88 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.62 7.81 5 N 9.49 4.95 0.00 2.90 2.86 0.00 0.00 7.09 8.01 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 6 I 8.61 4.41 1.89 0.00 0.00 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 1.15 0.71 0.86 0.00 0.00 7 L 9.22 4.64 0.00 1.81 1.74 1.19 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.93 5.09 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 9 L 9.08 5.38 0.00 1.64 1.73 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.91 5.28 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.60 1.03 0.00 0.00 11 S 9.37 5.01 0.00 4.30 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.91 5.08 1.57 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 0.17 0.00 0.00 0.22 0.00 0.00 13 N 9.35 4.42 0.00 2.70 2.63 0.00 0.00 7.40 6.78 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 14 N 8.71 4.19 0.00 2.74 3.00 0.00 0.00 6.63 8.08 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 15 D 7.95 4.53 0.00 2.83 2.78 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 16 N 7.84 4.80 0.00 2.59 2.65 0.00 0.00 6.85 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 17 F 7.57 4.58 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 18 E 8.35 4.06 0.00 2.00 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 2.55 2.47 0.00 19 N 8.22 4.52 0.00 2.85 2.83 0.00 0.00 7.07 7.48 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 20 Y 8.55 3.75 0.00 3.14 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.90 3.61 0.00 3.29 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 22 R 7.78 4.04 0.00 1.95 2.10 0.00 3.07 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 23 K 7.60 3.85 0.00 1.55 1.61 0.00 0.63 0.00 0.00 0.99 0.00 0.00 2.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.29 7.81 24 I 7.09 3.42 1.22 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.52 0.16 0.00 0.00 25 F 7.69 4.21 0.00 3.07 3.24 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 26 L 7.75 4.04 0.00 1.88 1.73 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.29 4.39 0.00 2.92 2.76 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 0.00 0.00 0.00 0.00 28 V 7.88 3.61 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.88 0.00 0.00 29 R 8.28 4.15 0.00 2.16 2.02 0.00 3.24 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.95 0.00 30 S 7.92 4.26 0.00 4.04 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 31 S 7.77 4.39 0.00 4.06 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 32 G 8.04 4.03 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 0.00 0.00 0.00 33 S 7.56 4.66 0.00 4.10 3.85 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 34 K 8.63 4.73 0.00 1.75 1.83 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.42 7.81 35 K 8.24 5.76 0.00 1.96 1.72 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.27 7.81 36 T 8.49 5.02 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 1.31 0.00 0.00 37 T 9.08 4.97 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 38 I 9.05 4.84 2.06 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.67 0.90 0.00 0.00 39 N 9.60 5.44 0.00 2.55 2.49 0.00 0.00 6.08 7.65 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 40 V 8.89 4.76 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 1.17 0.00 0.00 1.03 0.00 0.00 41 F 9.01 5.33 0.00 3.35 3.40 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 42 T 8.87 4.74 4.59 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 1.28 0.00 0.00 43 E 8.81 4.56 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 2.25 2.22 0.00 44 I 7.52 4.00 2.13 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 1.29 0.83 0.81 0.00 0.00 45 Q 8.23 4.41 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 46 Y 8.56 3.87 0.00 2.98 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 47 Q 8.23 3.94 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.69 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 48 E 7.98 3.87 0.00 1.99 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 2.32 0.00 49 L 7.64 3.46 0.00 1.33 1.33 -0.41 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.18 3.18 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.25 0.00 0.00 51 T 7.48 3.94 4.34 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 52 L 7.52 4.01 0.00 1.63 1.70 1.02 0.91 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 53 I 7.33 4.17 1.41 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.47 0.16 0.00 0.00 54 R 7.36 3.75 0.00 2.01 1.92 0.00 3.06 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 55 E 8.12 3.84 0.00 2.08 1.90 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 2.36 2.54 0.00 56 A 7.88 3.96 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 57 L 7.70 3.64 0.00 1.71 1.74 0.84 0.57 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 58 L 7.75 4.04 0.00 1.56 1.79 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.16 4.09 0.00 2.00 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 2.30 2.57 0.00 60 N 7.31 4.90 0.00 1.51 2.20 0.00 0.00 6.46 7.29 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 61 I 7.85 3.70 1.97 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 1.40 0.61 0.88 0.00 0.00 62 D 7.95 4.49 0.00 2.72 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 63 I 7.65 4.26 2.17 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.98 1.22 0.00 0.00 64 G 9.43 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 0.00 0.00 0.00 65 Y 7.95 6.25 0.00 3.12 3.12 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 66 E 9.06 4.71 0.00 2.06 1.66 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 0.00 2.24 2.32 0.00 67 L 8.27 5.24 0.00 1.86 1.75 1.00 0.24 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 68 F 9.28 4.74 0.00 3.16 2.34 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.18 4.97 0.00 1.36 1.47 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 70 W 9.16 5.41 0.00 3.24 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 71 K 9.68 4.86 0.00 1.95 1.81 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.47 7.81 72 K 8.48 4.03 0.00 1.73 1.59 0.00 1.35 0.00 0.00 0.91 0.00 0.00 2.27 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.49 1.16 7.81 73 N 8.23 4.78 0.00 2.87 2.98 0.00 0.00 5.93 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 74 E 8.92 4.79 0.00 2.54 2.37 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 2.43 2.41 0.00 75 V 7.68 3.81 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.17 0.00 0.00 76 D 8.11 4.31 0.00 2.88 2.91 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 77 I 7.61 3.61 1.81 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.70 1.03 0.00 0.00 78 F 7.20 3.22 0.00 1.51 2.78 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 79 L 7.48 3.32 0.00 1.49 1.53 0.88 0.69 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 80 K 7.78 3.95 0.00 1.86 1.82 0.00 1.45 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.45 7.81 81 N 8.22 4.28 0.00 2.83 2.75 0.00 0.00 6.71 6.33 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 82 L 7.45 3.80 0.00 1.23 1.51 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 83 E 7.76 3.97 0.00 2.02 1.95 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 2.26 2.50 0.00 84 K 7.71 4.34 0.00 1.82 1.83 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.32 7.81 85 S 7.66 4.39 0.00 3.85 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 86 E 8.64 4.35 0.00 1.97 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 2.29 2.43 0.00 87 V 7.99 4.83 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 0.92 0.00 0.00 0.98 0.00 0.00 88 D 9.08 5.02 0.00 2.83 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.05 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 90 L 8.43 5.37 0.00 1.73 1.41 1.03 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 91 L 9.02 5.10 0.00 1.63 1.51 0.97 0.85 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 92 V 8.17 4.79 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 1.03 0.00 0.00 0.87 0.00 0.00 93 Y 8.98 5.68 0.00 3.02 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 94 C 9.50 5.67 0.00 3.12 3.10 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 95 D 8.25 5.09 0.00 2.81 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.90 4.41 0.00 2.74 2.78 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 97 E 8.21 4.07 0.00 1.91 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 0.00 2.29 2.39 0.00 98 N 8.26 5.06 0.00 2.97 2.91 0.00 0.00 6.46 7.30 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 99 K 7.93 3.93 0.00 1.80 1.84 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.36 7.81 100 V 7.95 3.69 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 0.92 0.00 0.00 0.94 0.00 0.00 101 F 7.78 4.26 0.00 2.94 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 *103 S 8.05 4.33 0.00 4.07 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 0.00 104 K 7.75 3.99 0.00 1.70 1.82 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.41 7.81 105 I 7.10 3.61 1.39 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 0.77 -0.16 0.68 0.00 0.00 106 V 7.56 3.55 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 1.03 0.00 0.00 0.86 0.00 0.00 107 D 7.85 4.41 0.00 2.83 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 0.00 108 N 7.52 4.72 0.00 2.75 2.79 0.00 0.00 7.05 7.87 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 0.00 109 L 6.94 4.28 0.00 1.74 1.60 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.35 0.00 2.14 1.95 0.00 3.59 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 2.06 2.12 0.00 111 T 8.58 3.82 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 1.21 0.00 0.00 112 A 7.98 4.05 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 0.00 113 I 7.64 3.89 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 1.66 0.53 0.94 0.00 0.00 114 K 7.81 4.04 0.00 1.87 1.87 0.00 1.68 0.00 0.00 2.00 0.00 0.00 3.24 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.62 7.81 115 R 7.89 4.20 0.00 1.84 2.00 0.00 3.13 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 116 N 7.93 5.03 0.00 2.89 2.97 0.00 0.00 6.48 6.89 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 0.00 117 L 7.95 4.37 0.00 1.69 1.57 0.89 1.05 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 0.00 118 I 8.72 4.11 1.82 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.54 0.87 0.00 0.00 119 K 7.56 4.47 0.00 1.81 1.50 0.00 1.55 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.41 7.81 120 D 8.67 4.85 0.00 2.59 2.46 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 0.00 121 F 8.51 4.20 0.00 3.20 3.10 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 0.00 122 C 7.90 4.90 0.00 3.06 3.06 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 0.00 123 R 8.76 3.74 0.00 1.79 1.94 0.00 3.16 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 124 K 7.72 4.23 0.00 1.63 1.76 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.39 7.81 125 L 7.51 3.99 0.00 1.67 1.51 0.86 0.41 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 0.00 126 S 8.47 4.32 0.00 3.95 3.81 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 * Residues marked with a * may have inaccurate shift predictions.