NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8388 8.3001 120.7080 55.1272 33.3155 174.2054 2 A 4.8651 8.7083 123.2618 49.5321 22.9003 170.6800 3 V 4.9803 8.7962 119.9179 60.1914 35.9576 174.7271 4 I 5.1178 9.2565 125.3452 57.9533 38.7747 172.0687 5 A 5.0676 8.9778 130.5749 50.1755 23.4804 175.6211 6 D 5.2844 8.7127 118.4070 52.8485 40.7437 173.0712 7 P 4.4257 0.0000 0.0000 68.3219 30.7181 180.2271 8 E 4.2495 8.2725 119.8308 62.0524 29.6551 181.9817 9 T 4.0981 7.8936 115.1826 65.6175 68.5751 177.9122 10 A 4.2263 8.2644 126.2859 55.7550 18.2850 180.1522 11 Q 4.0713 8.1775 119.3016 60.6361 28.1750 181.3143 12 G 3.8787 8.1091 109.9494 48.1049 0.0000 176.5431 *13 F 4.1449 8.5031 125.5643 62.3600 37.9840 180.6567 14 R 4.7865 8.0316 125.2819 61.4921 28.8963 181.4770 15 L 4.2599 7.6107 121.7142 58.9471 41.0246 180.4888 16 A 4.4604 7.6782 117.6192 52.7214 18.2970 178.3416 17 G 3.8085 8.3937 109.1303 45.7252 0.0000 174.3093 18 L 4.5135 8.0392 124.6048 54.0583 43.8837 182.0061 19 E 4.5394 8.4399 116.9713 56.4754 28.2001 174.6640 20 G 4.3714 8.1340 113.6116 45.8285 0.0000 171.0490 *21 Y 4.8272 8.7483 123.3693 55.2638 41.0838 173.3539 22 G 4.4292 8.7369 110.5133 44.2443 0.0000 172.7280 23 A 4.8313 9.3163 127.3154 50.9283 23.2710 177.1286 24 S 4.6965 8.4840 116.2835 57.5793 64.1933 176.3077 25 S 4.7154 8.0218 118.1390 58.8936 66.9752 178.2128 26 A 4.5347 8.6301 129.2979 56.1131 18.1754 180.7014 27 E 3.9558 8.2812 117.6787 61.8692 29.8740 181.5316 28 E 4.1577 8.2867 118.9361 61.1945 29.6715 180.8024 29 A 4.2446 8.5499 124.7266 55.8602 18.3899 180.4605 30 Q 4.1731 8.2527 121.4957 60.6988 28.0317 181.8305 31 S 4.4030 8.1954 122.0645 64.0895 62.2794 180.3333 32 L 4.2590 8.1944 128.9966 59.9034 40.6272 181.6684 33 L 4.2604 8.3828 126.3480 59.9928 40.7408 181.7376 34 E 4.2033 8.3570 121.7711 61.8095 29.6355 181.4873 35 T 4.1521 8.2535 118.7372 66.6066 68.5058 178.6181 36 L 4.2629 8.2862 128.0874 60.0267 40.6682 182.2721 37 V 3.9827 8.1523 122.2384 66.5668 31.6109 180.5427 38 E 4.4271 8.5731 120.9319 61.4334 29.6553 181.7049 39 R 4.3838 7.9133 120.4141 61.0288 29.6477 179.6884 40 G 4.1659 8.2950 108.4021 46.2116 0.0000 174.9978 41 G 3.8113 8.2263 108.6685 46.5244 0.0000 173.3490 *42 Y 4.4363 7.5782 118.2086 55.4655 38.5250 180.1943 43 A 4.6309 8.4461 126.6476 52.7260 20.8548 177.2525 44 L 4.8698 7.5088 117.7773 54.5069 45.6910 180.6864 45 V 4.8228 8.6789 121.3017 59.1810 35.5360 173.1436 46 A 5.0202 9.3114 131.7105 50.2943 20.8223 176.7578 47 V 4.8136 8.9021 124.5156 59.7366 35.7470 172.4426 48 D 4.8897 9.0795 128.8337 54.3302 40.2562 175.7929 49 E 3.9511 9.3359 119.6691 57.7749 30.0186 176.3962 50 A 4.0805 8.2005 122.0146 55.3802 18.6036 178.5759 51 L 4.4951 8.1782 117.0996 55.2049 42.3044 181.1231 52 L 5.0513 7.5104 118.2241 53.7274 41.2153 181.1007 53 P 4.5147 0.0000 0.0000 64.5715 31.7342 178.9915 54 D 4.7405 7.7110 117.1365 51.7254 40.7183 179.7986 55 P 4.7209 0.0000 0.0000 65.2860 31.3748 177.4887 56 E 4.3730 8.0380 118.7669 62.5632 30.2755 184.7436 57 R 4.1900 8.1193 121.2608 61.0888 28.9520 180.4914 58 A 4.2197 7.6483 121.4169 56.3169 18.6328 180.2622 59 V 3.7487 7.8969 120.5307 67.1795 30.0694 181.1839 60 E 4.1310 8.4134 121.1127 61.5646 29.5943 182.7465 61 R 4.5603 7.8501 123.1502 61.4672 29.5847 180.7774 62 L 4.1323 8.6021 124.4273 59.5852 41.2038 182.8209 63 M 3.2351 6.9276 115.0328 54.5103 30.2998 177.4054 64 R 4.3873 7.6417 130.2922 55.1241 37.5963 175.5484 65 G 4.0236 8.9003 110.4792 45.1535 0.0000 176.6697 66 R 4.6636 9.0834 117.0719 54.0773 29.9311 175.5131 67 D 4.5843 8.5480 121.6779 53.7565 40.2517 177.8088 68 L 4.5561 8.3645 127.3520 51.6909 42.4032 171.7216 69 P 4.4501 0.0000 0.0000 63.8105 31.1188 177.3104 70 V 3.8512 8.5994 126.1791 61.6032 33.0315 172.8163 71 L 5.1425 8.5766 126.4089 53.7308 44.1157 177.0476 72 L 4.6893 8.9327 129.6533 51.7802 43.6975 171.0052 73 P 4.9123 0.0000 0.0000 62.6462 31.6610 174.0757 74 I 4.4779 8.8690 124.5951 59.2489 39.3115 171.9312 75 A 3.6185 7.5508 127.8463 47.9768 22.0253 175.3870 76 G 4.4307 7.5015 110.4506 45.4162 0.0000 174.2715 77 L 4.7690 7.6121 122.4430 54.9948 41.4920 179.1830 78 K 4.2391 8.7915 118.8227 59.3782 30.9576 177.1108 79 E 4.2521 8.0992 112.5929 57.2243 29.8400 180.6936 80 A 3.9846 8.0081 121.8978 54.8523 19.4244 178.6601 *81 F 4.4556 7.9235 116.5984 58.8026 39.2796 183.8455 82 Q 4.4705 7.5495 116.2721 55.5138 28.5174 179.1048 83 G 4.3457 7.2989 117.0352 47.3353 0.0000 176.4471 *84 H 4.6686 9.2678 122.3094 57.0191 30.3258 174.6981 85 D 4.4821 6.7984 121.1834 56.9081 37.8691 181.5030 86 V 4.3137 11.1300 117.9527 63.3705 34.5240 180.6778 87 E 4.1050 8.4018 120.0568 60.9185 29.1529 181.0257 88 G 4.0038 8.0543 107.1843 47.5403 0.0000 175.8846 *89 Y 4.1078 8.0648 124.9440 62.9388 36.6536 181.6926 90 M 4.3926 8.5941 123.9857 60.1869 31.5721 182.1422 91 R 4.2160 7.9304 123.9152 62.1546 29.5289 181.4954 92 E 4.2698 8.5578 121.8199 61.5323 29.8989 181.6633 93 L 4.4199 8.1614 126.0306 59.7987 40.9790 182.3437 94 V 4.0065 8.0251 122.0283 66.4161 31.6621 182.1304 95 R 4.7386 8.1825 125.2855 61.2978 28.9907 181.3160 96 K 4.1521 8.2801 126.3351 61.5927 31.7115 180.6759 97 T 4.3565 7.9354 117.3550 65.6438 68.2859 178.6892 98 I 4.3004 7.7180 125.9674 62.0407 36.1826 174.5791 99 G 3.8012 8.1631 116.9860 47.4916 0.0000 173.6009 *100 F 5.1258 8.0805 135.0000 56.8073 40.2916 170.9434 101 D 4.7303 8.1778 130.2536 51.9592 37.8467 173.2255 102 I 3.9890 7.7468 124.7651 59.8339 36.5628 178.4562 103 K 4.3856 8.3987 128.2242 54.5071 29.5955 177.3609 104 L 4.3108 7.8257 124.2223 54.1115 40.9551 177.4549 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 4.84 0.00 1.82 1.92 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.13 0.00 2 A 8.71 4.87 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 3 V 8.80 4.98 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 0.72 0.00 0.00 0.93 0.00 0.00 4 I 9.26 5.12 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.68 0.91 0.00 0.00 5 A 8.98 5.07 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 6 D 8.71 5.28 0.00 2.62 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.43 0.00 2.07 2.10 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.67 0.00 8 E 8.27 4.25 0.00 1.97 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 2.31 1.95 0.00 9 T 7.89 4.10 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 10 A 8.26 4.23 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 11 Q 8.18 4.07 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 12 G 8.11 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 *13 F 8.50 4.14 0.00 2.29 2.31 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 14 R 8.03 4.79 0.00 1.83 1.98 0.00 3.22 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.39 0.00 15 L 7.61 4.26 0.00 1.69 1.61 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.68 4.46 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 17 G 8.39 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 0.00 0.00 0.00 18 L 8.04 4.51 0.00 1.34 1.55 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.44 4.54 0.00 1.65 1.88 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 2.26 1.88 0.00 20 G 8.13 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *21 Y 8.75 4.83 0.00 1.98 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 0.00 0.00 0.00 0.00 22 G 8.74 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.32 4.83 1.19 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 0.00 0.00 24 S 8.48 4.70 0.00 3.59 3.67 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 25 S 8.02 4.72 0.00 3.68 3.68 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 26 A 8.63 4.53 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 27 E 8.28 3.96 0.00 1.99 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 0.00 2.32 1.95 0.00 28 E 8.29 4.16 0.00 1.96 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 2.32 1.97 0.00 29 A 8.55 4.24 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 30 Q 8.25 4.17 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 31 S 8.20 4.40 0.00 3.74 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 32 L 8.19 4.26 0.00 1.64 1.72 0.92 0.59 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 33 L 8.38 4.26 0.00 1.60 1.72 0.92 0.90 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 34 E 8.36 4.20 0.00 1.98 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 2.24 2.20 0.00 35 T 8.25 4.15 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 36 L 8.29 4.26 0.00 1.63 1.71 0.92 1.30 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 37 V 8.15 3.98 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 0.90 0.00 0.00 0.93 0.00 0.00 38 E 8.57 4.43 0.00 2.03 1.89 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 2.26 2.19 0.00 39 R 7.91 4.38 0.00 1.90 1.87 0.00 3.21 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 40 G 8.30 4.17 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 0.00 41 G 8.23 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 0.00 0.00 0.00 *42 Y 7.58 4.44 0.00 2.34 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 0.00 0.00 0.00 0.00 43 A 8.45 4.63 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 44 L 7.51 4.87 0.00 1.30 1.47 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.68 4.82 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 0.68 0.00 0.00 0.93 0.00 0.00 46 A 9.31 5.02 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 47 V 8.90 4.81 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 0.71 0.00 0.00 0.93 0.00 0.00 48 D 9.08 4.89 0.00 2.35 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 49 E 9.34 3.95 0.00 1.88 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 2.24 2.14 0.00 50 A 8.20 4.08 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 51 L 8.18 4.50 0.00 1.58 1.66 0.92 0.34 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 52 L 7.51 5.05 0.00 1.63 1.44 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.51 0.00 2.08 1.99 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 54 D 7.71 4.74 0.00 2.52 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.72 0.00 2.07 2.06 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.64 0.00 56 E 8.04 4.37 0.00 1.97 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 2.28 1.93 0.00 57 R 8.12 4.19 0.00 1.81 1.99 0.00 3.22 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.29 0.00 58 A 7.65 4.22 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 59 V 7.90 3.75 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.93 0.00 0.00 60 E 8.41 4.13 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 2.25 2.26 0.00 61 R 7.85 4.56 0.00 1.94 1.87 0.00 3.25 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 62 L 8.60 4.13 0.00 1.73 1.63 0.92 1.21 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 63 M 6.93 3.24 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 64 R 7.64 4.39 0.00 1.76 1.59 0.00 3.22 0.00 0.00 3.23 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.06 0.00 65 G 8.90 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 0.00 0.00 0.00 66 R 9.08 4.66 0.00 1.92 1.99 0.00 3.27 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.97 0.00 67 D 8.55 4.58 0.00 2.69 2.50 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 68 L 8.36 4.56 0.00 1.65 1.47 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.45 0.00 1.84 1.91 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.62 0.00 70 V 8.60 3.85 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 0.61 0.00 0.00 0.93 0.00 0.00 71 L 8.58 5.14 0.00 1.37 1.44 0.92 0.76 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 72 L 8.93 4.69 0.00 1.28 1.57 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.91 0.00 1.85 1.87 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.60 0.00 74 I 8.87 4.48 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.68 0.91 0.00 0.00 75 A 7.55 3.62 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 76 G 7.50 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 4.77 0.00 1.64 1.13 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.79 4.24 0.00 1.68 1.83 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.00 7.81 79 E 8.10 4.25 0.00 1.89 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 2.31 1.87 0.00 80 A 8.01 3.98 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 *81 F 7.92 4.46 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 7.55 4.47 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 83 G 7.30 4.35 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 0.00 *84 H 9.27 4.67 0.00 2.80 2.96 0.00 7.21 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 6.80 4.48 0.00 2.73 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 86 V 11.13 4.31 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 0.68 0.00 0.00 0.93 0.00 0.00 87 E 8.40 4.10 0.00 1.96 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 1.98 0.00 88 G 8.05 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 *89 Y 8.06 4.11 0.00 2.33 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 90 M 8.59 4.39 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 91 R 7.93 4.22 0.00 1.80 1.98 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 92 E 8.56 4.27 0.00 1.96 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 0.00 2.24 2.19 0.00 93 L 8.16 4.42 0.00 1.66 1.71 0.92 0.88 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 94 V 8.03 4.01 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 0.71 0.00 0.00 0.93 0.00 0.00 95 R 8.18 4.74 0.00 1.81 1.98 0.00 3.25 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.38 0.00 96 K 8.28 4.15 0.00 1.79 1.79 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.36 7.81 97 T 7.94 4.36 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 98 I 7.72 4.30 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.10 0.91 0.00 0.00 99 G 8.16 3.80 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 0.00 0.00 0.00 *100 F 8.08 5.13 0.00 2.33 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 0.00 0.00 0.00 0.00 101 D 8.18 4.73 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.75 3.99 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.10 0.91 0.00 0.00 103 K 8.40 4.39 0.00 1.77 1.66 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.36 1.00 7.81 104 L 7.83 4.31 0.00 1.66 1.46 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.