NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 A 4.4155 8.2601 123.5818 52.2050 20.8042 175.7777 0 A 4.3755 7.8107 126.8037 50.2401 19.4896 176.1749 2 E 4.5538 9.2949 127.9372 56.2174 33.7304 170.9751 3 V 4.8453 8.4546 126.6732 61.1268 34.6777 174.3499 4 I 4.4863 8.5708 128.4296 59.8255 39.0078 174.7380 5 R 4.9204 8.4782 125.7925 54.2208 32.5214 176.1019 6 E 4.2818 8.6795 122.0894 55.4063 30.5035 176.4450 7 Q 4.0939 8.4159 121.3240 56.1528 29.5817 175.8821 8 E 4.2790 8.7398 123.9707 56.9248 30.6307 176.0892 9 F 4.6358 9.5966 125.8747 56.4454 41.9340 174.4607 10 V 4.2836 7.9069 127.4048 62.1400 31.0286 175.4262 11 N 4.6764 8.9014 126.3204 56.0988 39.0459 176.0891 12 Q 4.6193 7.9006 116.2996 54.4770 33.8447 173.2711 13 Y 4.9429 8.7027 123.4528 56.5452 42.1408 173.0518 14 H 5.2860 9.2004 124.8024 54.0438 31.8381 172.6420 15 Y 4.8302 8.7278 123.8616 55.8397 41.0147 174.3098 16 D 4.8883 8.5208 125.7937 51.9435 44.8957 175.2849 17 A 4.4564 8.6351 124.5777 51.9745 19.3883 176.9397 18 R 3.8493 8.2012 121.1305 56.1843 31.0537 175.7933 19 N 4.5092 8.7042 125.0493 51.7487 38.8433 174.4328 20 L 4.1527 8.0610 126.7152 56.7653 41.7064 178.7635 21 E 4.0143 8.1197 117.9100 59.6057 29.7149 178.9423 22 W 4.4882 8.3477 118.7651 59.7776 29.2403 178.3336 23 E 4.0544 8.4116 118.1047 59.7636 28.7397 179.3050 24 E 4.0339 7.8542 117.6900 58.3105 29.7464 177.0495 25 E 4.6160 8.1166 114.8287 56.0631 30.8845 175.9256 26 N 4.6469 8.1368 115.0777 52.4647 39.5575 175.3298 27 G 3.8568 8.1520 107.3730 46.1050 0.0000 173.3149 28 T 4.1555 8.2646 119.7905 60.6655 68.0195 172.2182 29 P 4.6050 0.0000 0.0000 61.9687 32.7204 175.3696 30 K 4.4944 8.1096 119.3390 54.8036 33.8210 176.5924 31 T 4.2377 8.2794 119.4994 64.2533 68.7853 173.1839 32 N 4.8921 8.7614 122.3548 51.9747 40.9942 173.3761 33 F 5.4090 8.8643 117.9593 55.7720 42.8280 174.1108 34 E 4.7829 9.4079 122.1809 54.4332 32.8765 174.4393 35 V 4.9044 8.5174 125.8630 61.2560 34.2478 174.3176 36 T 4.6025 8.5469 116.7400 59.7904 72.7226 172.5217 37 F 5.3961 8.5571 119.3493 55.8110 42.8577 174.1798 38 Q 4.6737 9.3108 124.3436 53.8210 31.9750 174.3800 39 L 4.2546 8.9045 126.4272 55.8042 41.6889 175.9827 40 A 4.5432 9.0749 126.5614 52.7658 20.0651 176.2859 41 N 4.5635 7.2906 110.9313 53.1163 41.2745 172.5670 42 R 5.1876 7.9421 113.8993 55.3817 35.0482 175.8022 43 D 4.8962 8.3840 118.0793 53.6061 41.2000 175.6693 44 E 4.0247 8.3296 118.3745 58.4280 30.6408 179.2521 45 A 4.0147 8.0910 122.0595 54.8603 18.5341 177.8100 46 A 4.3265 8.2078 115.8037 51.3650 19.5887 177.4378 47 K 3.8089 7.7995 114.6136 57.0399 29.4872 173.4246 48 V 5.0102 7.1923 117.9997 61.6059 36.0054 173.4981 49 T 4.9851 8.7198 124.1697 61.9833 71.2561 173.2077 50 S 5.1702 9.0352 123.5967 57.5881 64.6567 173.5437 51 I 5.1210 8.7686 124.9807 59.5506 41.0117 174.9995 52 V 4.4550 9.1809 126.5283 61.3121 33.1506 174.3401 53 A 4.8416 8.9265 131.1207 51.1861 20.4234 176.0084 54 V 4.6946 8.6171 122.0334 60.9153 35.0021 173.7755 55 L 5.1307 9.3537 130.2657 53.3470 44.3950 174.4900 56 Q 5.2837 9.2205 128.0091 54.3095 31.8445 174.1012 57 F 5.3609 8.5459 119.9999 55.4020 42.1275 173.4416 58 V 4.8285 8.6003 119.7280 61.3265 35.1372 174.0567 59 I 4.7320 9.2433 128.2016 59.6196 40.3480 174.3221 60 V 4.6310 8.5820 127.9233 61.2128 33.1941 175.1214 61 R 4.4960 8.2048 125.7832 53.7035 33.9517 175.8090 62 D 4.2895 8.5644 118.3102 57.5957 40.9464 178.1949 63 E 4.3630 7.6638 116.3402 56.9399 30.4983 175.1322 64 F 4.9987 7.0165 112.0440 55.9915 41.7257 172.9480 65 V 4.9116 8.3291 119.8581 61.2453 34.1976 174.1613 66 I 5.0517 9.1080 128.9578 59.6346 39.9636 174.8277 67 S 4.5309 8.7541 119.9608 56.6510 67.0878 174.2538 68 G 3.4061 5.9749 106.8108 45.8759 0.0000 171.1695 69 V 5.0116 7.7294 118.7033 61.5255 35.0515 175.0137 70 I 5.1645 9.2780 128.6908 59.7244 40.5175 174.8355 71 S 5.3140 9.4876 121.7785 56.9359 66.5854 172.4584 72 Q 4.2801 8.8323 124.8946 55.1853 33.4093 173.5945 *74 A 4.1823 8.6090 117.5828 52.1168 20.6657 175.6197 75 H 5.0477 9.2389 120.9011 54.1361 30.1647 173.9070 76 I 4.4109 9.0108 125.9265 60.9627 37.8772 175.7006 77 Q 4.2451 9.2663 127.8446 56.0370 29.4599 176.6278 78 G 3.9545 8.7940 110.6593 46.1336 0.0000 173.5246 79 R 4.6239 7.7745 116.2786 53.9930 33.6876 175.3251 80 L 4.5746 8.2943 120.3120 53.0730 43.1145 175.4657 81 I 4.6090 7.9557 123.5868 59.1112 38.5750 176.0976 82 N 4.6097 9.6179 123.3678 54.5737 39.5262 175.4816 83 E 4.7589 7.7352 114.0266 53.4198 32.9683 174.6917 84 P 4.0857 0.0000 0.0000 65.5804 31.5862 178.6645 85 S 4.3528 7.9537 111.1392 60.1663 63.1201 175.1156 86 E 3.9730 7.8294 121.0252 58.9974 29.3996 177.3421 87 F 4.6795 7.5006 117.8823 57.3535 39.5067 175.9620 88 S 4.5649 8.9191 120.3330 57.6551 65.3119 175.4792 89 Q 4.0227 8.5548 120.7830 59.4311 28.2913 179.0500 90 D 4.3423 8.0225 119.2929 57.1118 40.8534 178.5185 91 E 3.8227 8.0262 119.2051 59.1656 29.3626 179.4717 92 V 3.1161 7.9712 118.6827 65.6929 31.7463 177.4114 93 E 3.8578 8.2902 119.2534 59.4291 29.2194 177.9228 94 N 4.1498 8.0116 115.7151 57.1583 38.9908 176.3829 95 L 4.0432 7.7730 118.4706 57.6428 42.0298 179.0776 96 A 4.1664 8.5854 120.6809 54.2897 18.3235 179.2805 97 A 3.7938 7.7268 119.5250 55.2249 18.5518 178.2096 98 P 4.1974 0.0000 0.0000 65.1183 31.4547 179.0378 99 L 3.9622 7.7274 117.8696 57.7866 41.6230 179.1630 100 L 3.5347 7.5119 118.7805 57.5273 41.2787 179.2068 101 E 3.9721 8.2435 119.3539 59.2285 29.4638 178.8365 102 I 3.6449 7.5743 119.4343 64.5204 37.1956 178.6042 103 V 3.5366 7.5942 118.4757 65.6059 31.2999 177.8635 104 K 4.0043 8.5554 119.8819 59.7838 32.1205 179.0460 105 R 3.9980 8.2676 118.4094 59.1116 29.9896 179.0569 106 L 3.7751 8.0755 118.9782 58.1350 41.5901 179.7821 107 T 4.3676 8.0776 117.0062 66.1081 68.2981 176.1185 108 Y 4.4208 8.0503 122.7962 60.3808 38.9344 178.2172 109 E 3.6907 8.0359 118.9293 59.1810 29.5634 179.6046 110 V 3.4042 7.7226 118.5553 66.1089 31.6386 178.2812 111 T 3.7281 7.8162 109.6165 64.4459 68.6772 175.9052 112 E 3.9734 7.8518 123.7315 58.4367 29.2639 179.1718 113 I 3.6396 7.2246 117.5862 64.2688 37.3415 178.0125 114 A 3.9607 8.0782 120.7551 54.2056 18.2050 178.1200 115 L 4.4259 7.7956 114.6708 53.6236 43.8879 175.5250 116 D 4.6697 7.8202 117.0257 51.4872 38.6191 172.1284 117 R 4.6573 7.1400 124.5527 54.7942 32.8437 171.4948 118 P 4.5389 0.0000 0.0000 62.2708 31.9259 176.7159 119 G 3.4463 8.8659 112.1529 45.5992 0.0000 173.4525 120 V 3.6912 9.0019 123.2784 62.7415 32.0329 175.0113 121 T 4.6943 8.3395 121.6593 59.9943 67.7939 173.2979 122 L 4.0889 8.2030 128.9904 54.3729 42.3882 176.8381 123 E 4.3140 8.0078 120.8381 54.6113 32.7913 175.8054 124 F 4.3927 8.7336 121.2955 57.6206 39.1600 175.6958 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 A 8.26 4.42 1.28 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 A 7.81 4.38 1.01 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 2 E 9.29 4.55 0.00 2.01 1.77 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 2.28 2.30 0.00 3 V 8.45 4.85 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 0.86 0.00 0.00 0.89 0.00 0.00 4 I 8.57 4.49 1.92 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 1.24 0.50 0.95 0.00 0.00 5 R 8.48 4.92 0.00 1.67 1.82 0.00 3.20 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 6 E 8.68 4.28 0.00 1.98 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 2.34 2.27 0.00 7 Q 8.42 4.09 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 8 E 8.74 4.28 0.00 1.90 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 2.33 2.40 0.00 9 F 9.60 4.64 0.00 3.10 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 10 V 7.91 4.28 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 0.92 0.00 0.00 0.90 0.00 0.00 11 N 8.90 4.68 0.00 2.91 2.98 0.00 0.00 6.80 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 12 Q 7.90 4.62 0.00 1.80 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 13 Y 8.70 4.94 0.00 3.09 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 H 9.20 5.29 0.00 3.04 3.08 0.00 5.63 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 15 Y 8.73 4.83 0.00 3.01 2.86 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 16 D 8.52 4.89 0.00 2.55 2.42 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 17 A 8.64 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.20 3.85 0.00 1.87 1.77 0.00 3.18 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 19 N 8.70 4.51 0.00 2.08 2.18 0.00 0.00 7.23 6.66 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 20 L 8.06 4.15 0.00 1.67 1.66 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.12 4.01 0.00 2.04 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 0.00 2.31 2.34 0.00 22 W 8.35 4.49 0.00 3.37 3.05 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 23 E 8.41 4.05 0.00 2.04 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 0.00 2.38 2.43 0.00 24 E 7.85 4.03 0.00 2.10 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 0.00 2.33 2.51 0.00 25 E 8.12 4.62 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 2.24 2.39 0.00 26 N 8.14 4.65 0.00 2.85 2.84 0.00 0.00 7.27 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 27 G 8.15 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 0.00 0.00 0.00 28 T 8.26 4.16 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 29 P 0.00 4.60 0.00 2.15 1.99 0.00 3.51 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 30 K 8.11 4.49 0.00 1.74 1.75 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.38 7.81 31 T 8.28 4.24 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 32 N 8.76 4.89 0.00 2.80 2.84 0.00 0.00 6.34 8.93 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 33 F 8.86 5.41 0.00 2.93 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 34 E 9.41 4.78 0.00 1.97 1.75 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 2.21 2.38 0.00 35 V 8.52 4.90 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 0.46 0.00 0.00 0.88 0.00 0.00 36 T 8.55 4.60 4.19 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 1.23 0.00 0.00 37 F 8.56 5.40 0.00 3.11 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 38 Q 9.31 4.67 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 39 L 8.90 4.25 0.00 1.60 1.64 0.97 0.84 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 40 A 9.07 4.54 1.28 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 41 N 7.29 4.56 0.00 2.73 2.92 0.00 0.00 5.85 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 42 R 7.94 5.19 0.00 1.72 1.83 0.00 3.17 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 1.56 1.56 0.00 43 D 8.38 4.90 0.00 2.72 2.49 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 44 E 8.33 4.02 0.00 2.11 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 2.27 2.30 0.00 45 A 8.09 4.01 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 46 A 8.21 4.33 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 47 K 7.80 3.81 0.00 1.94 1.81 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.40 7.81 48 V 7.19 5.01 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 1.06 0.00 0.00 1.03 0.00 0.00 49 T 8.72 4.99 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 1.24 0.00 0.00 50 S 9.04 5.17 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 51 I 8.77 5.12 1.96 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.09 1.09 0.00 0.00 52 V 9.18 4.46 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 1.02 0.00 0.00 0.93 0.00 0.00 53 A 8.93 4.84 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 54 V 8.62 4.69 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 1.03 0.00 0.00 0.92 0.00 0.00 55 L 9.35 5.13 0.00 1.74 1.69 1.14 0.45 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 56 Q 9.22 5.28 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.48 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 57 F 8.55 5.36 0.00 2.92 3.31 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 58 V 8.60 4.83 1.96 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 0.99 0.00 0.00 0.80 0.00 0.00 59 I 9.24 4.73 2.13 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.72 1.13 0.00 0.00 60 V 8.58 4.63 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 0.66 0.00 0.00 0.90 0.00 0.00 61 R 8.20 4.50 0.00 0.67 1.42 0.00 3.27 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.53 0.00 62 D 8.56 4.29 0.00 2.58 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 63 E 7.66 4.36 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 64 F 7.02 5.00 0.00 2.58 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 65 V 8.33 4.91 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 1.02 0.00 0.00 0.88 0.00 0.00 66 I 9.11 5.05 2.06 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 1.31 0.48 0.74 0.00 0.00 67 S 8.75 4.53 0.00 3.53 3.71 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 0.00 0.00 0.00 0.00 68 G 5.97 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.73 5.01 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 1.01 0.00 0.00 0.86 0.00 0.00 70 I 9.28 5.16 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.98 1.01 0.00 0.00 71 S 9.49 5.31 0.00 3.82 3.76 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 72 Q 8.83 4.28 0.00 2.11 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.57 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 *74 A 8.61 4.18 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 75 H 9.24 5.05 0.00 3.15 3.26 0.00 5.62 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 9.01 4.41 2.04 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.98 0.98 0.00 0.00 77 Q 9.27 4.25 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.41 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 78 G 8.79 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 79 R 7.77 4.62 0.00 1.79 1.80 0.00 3.32 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 80 L 8.29 4.57 0.00 1.56 1.56 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.96 4.61 1.73 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.19 0.56 0.00 0.00 82 N 9.62 4.61 0.00 2.72 2.82 0.00 0.00 6.80 7.64 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 83 E 7.74 4.76 0.00 2.05 1.96 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 2.18 2.23 0.00 84 P 0.00 4.09 0.00 2.33 2.39 0.00 3.61 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 85 S 7.95 4.35 0.00 3.98 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 86 E 7.83 3.97 0.00 1.78 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 87 F 7.50 4.68 0.00 3.04 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 88 S 8.92 4.56 0.00 4.09 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 89 Q 8.55 4.02 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 90 D 8.02 4.34 0.00 2.75 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 91 E 8.03 3.82 0.00 2.28 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 2.31 2.31 0.00 92 V 7.97 3.12 2.10 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 1.34 0.00 0.00 0.90 0.00 0.00 93 E 8.29 3.86 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 2.28 2.30 0.00 94 N 8.01 4.15 0.00 2.79 2.96 0.00 0.00 7.37 8.11 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 95 L 7.77 4.04 0.00 1.52 1.76 -0.47 0.94 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 96 A 8.59 4.17 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 97 A 7.73 3.79 1.34 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 0.00 0.00 98 P 0.00 4.20 0.00 2.32 2.09 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 99 L 7.73 3.96 0.00 1.76 1.68 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.51 3.53 0.00 1.32 0.20 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.24 3.97 0.00 2.05 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 0.00 2.29 2.38 0.00 102 I 7.57 3.64 2.02 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 1.50 0.74 0.90 0.00 0.00 103 V 7.59 3.54 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 0.72 0.00 0.00 0.37 0.00 0.00 104 K 8.56 4.00 0.00 2.09 2.11 0.00 1.82 0.00 0.00 1.89 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.51 7.81 105 R 8.27 4.00 0.00 1.87 1.96 0.00 3.29 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 106 L 8.08 3.78 0.00 1.43 0.60 0.67 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.08 4.37 4.42 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 1.37 0.00 0.00 108 Y 8.05 4.42 0.00 3.18 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 0.00 109 E 8.04 3.69 0.00 1.96 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 2.60 2.48 0.00 110 V 7.72 3.40 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 0.79 0.00 0.00 0.89 0.00 0.00 111 T 7.82 3.73 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 0.93 0.00 0.00 112 E 7.85 3.97 0.00 1.55 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 2.05 2.10 0.00 113 I 7.22 3.64 1.71 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 1.36 0.62 0.81 0.00 0.00 114 A 8.08 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.80 4.43 0.00 1.75 1.75 1.19 1.10 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 0.00 116 D 7.82 4.67 0.00 2.73 2.64 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 0.00 117 R 7.14 4.66 0.00 1.93 1.78 0.00 3.29 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 118 P 0.00 4.54 0.00 2.12 2.03 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 119 G 8.87 3.45 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 0.00 0.00 0.00 0.00 120 V 9.00 3.69 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 1.18 0.00 0.00 121 T 8.34 4.69 4.28 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 1.24 0.00 0.00 122 L 8.20 4.09 0.00 1.21 0.92 1.10 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.01 4.31 0.00 1.78 1.73 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 2.10 2.18 0.00 124 F 8.73 4.39 0.00 2.86 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 * Residues marked with a * may have inaccurate shift predictions.