NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.1284 8.2300 117.5294 52.3885 38.9711 174.4847 2 I 3.6119 7.8729 117.2728 63.7688 37.2919 176.3575 3 K 3.8416 8.7408 120.3661 59.5596 32.2548 178.6825 4 Q 4.0041 8.2907 118.2289 58.5077 28.4501 178.4488 5 F 4.3598 8.3061 122.0476 61.2983 39.2360 176.7327 6 N 3.9328 8.2373 115.4150 56.6014 38.5109 176.7946 7 N 4.5613 7.8584 117.2238 56.2379 38.6609 177.1791 8 M 4.0734 8.1897 120.6265 58.7581 32.1500 178.5481 9 I 3.6217 7.7024 119.7969 64.9470 37.1948 178.5153 10 Q 4.2904 7.9534 118.0054 58.7095 28.4502 177.8575 11 C 4.3127 8.1492 120.1756 59.9876 43.5033 175.6207 12 T 4.0206 7.8554 108.8639 62.7977 69.1969 174.8745 13 V 4.5160 7.8331 120.4007 60.2143 31.3616 173.7952 14 P 4.6426 0.0000 0.0000 64.7879 32.1771 178.1209 15 A 3.9412 7.4868 117.5316 54.1700 18.3643 176.9476 *17 R 4.8187 7.8223 113.2905 56.0816 31.4749 174.0919 18 S 5.0061 8.1551 112.1034 55.5409 66.0131 175.2045 19 W 4.5300 8.9881 118.2817 59.6929 27.6710 178.1436 20 W 3.5217 6.8158 119.2762 59.4986 28.1136 177.8764 21 D 4.3322 7.7947 117.4947 56.0428 39.6723 177.4531 22 F 4.8225 8.3083 116.9575 57.3962 39.9501 177.3626 23 A 4.3948 7.9502 121.2674 54.1299 19.3582 176.8412 24 D 4.9490 7.9822 112.4087 53.3299 40.9545 173.9171 25 Y 4.9396 8.2409 121.5940 56.5562 42.4281 175.6055 26 G 4.1045 8.1791 115.9765 46.8418 0.0000 173.3053 27 C 4.7450 9.6851 119.2783 57.1234 39.1249 174.7582 28 Y 4.4669 8.6593 116.4588 59.2821 40.8979 174.2059 29 C 4.8777 8.4754 117.3970 58.1486 38.5922 174.0845 30 G 4.6243 7.9176 120.8304 46.4722 0.0000 169.9278 31 S 4.3359 7.0379 119.2541 57.0783 65.8179 176.0693 *33 G 3.5743 8.6583 105.3354 44.1854 0.0000 171.3722 34 S 5.0356 6.2584 124.5300 58.8195 66.0882 178.3279 35 G 3.8136 8.2239 113.2998 45.8280 0.0000 171.4788 36 S 4.7054 8.4336 113.9943 55.8886 63.4614 173.1322 37 P 4.5933 0.0000 0.0000 63.0208 31.9256 175.7531 38 V 4.1906 8.2958 118.8548 64.2059 33.1677 174.7998 39 D 4.5927 7.4371 116.3770 51.9234 41.7129 174.9538 40 D 4.4000 8.8600 117.9539 57.9091 40.7566 178.1502 41 L 3.9664 8.0499 120.1152 58.4905 41.8830 178.3756 42 D 4.6737 9.2002 116.2364 56.6439 41.3643 177.6914 43 R 4.0603 7.6515 119.2652 59.4318 30.3473 177.1144 44 C 4.1120 8.4405 116.7013 60.7678 37.3720 175.8158 45 C 4.4641 8.4054 117.2825 60.1672 40.4656 175.2500 46 Q 3.6664 8.0412 121.3259 58.8291 28.3777 178.2369 47 V 3.4688 7.6397 118.2157 66.5519 31.4889 177.2917 48 H 3.8821 7.9720 117.5127 59.6706 29.4823 176.5394 49 D 4.1644 7.9534 120.1247 57.3692 40.6660 178.5313 50 N 4.2936 8.0945 116.8986 56.4253 38.5602 176.4172 51 C 4.1497 8.7733 120.5085 59.9459 44.0874 175.1793 52 Y 4.3156 7.9866 118.1724 61.4671 37.3517 178.5891 53 N 4.3973 8.3826 115.1129 55.5165 38.7158 176.7952 54 A 4.3164 7.9969 122.8573 54.5221 18.7204 179.5863 55 G 3.7096 8.2225 104.2139 47.2212 0.0000 176.2352 56 G 3.8135 8.2336 107.4533 47.2983 0.0000 175.6619 57 G 3.7238 7.5476 107.1045 46.1967 0.0000 174.4440 58 V 3.8267 7.1533 120.5156 62.7077 31.7936 175.4176 59 T 4.0686 8.3981 121.0754 64.2587 68.9331 175.3529 60 G 4.0251 8.6338 113.6919 46.4967 0.0000 173.2495 61 C 4.4365 7.5795 119.9411 54.4847 39.7158 172.9389 62 A 4.4674 8.1558 130.1994 49.5989 19.6194 174.1637 63 P 3.7792 0.0000 0.0000 66.7116 31.4530 179.4281 64 K 3.9799 7.6554 116.4298 58.4161 32.2238 178.4824 65 S 4.4001 7.4960 110.9434 58.1152 64.5076 173.9141 66 K 4.0205 8.3706 122.4027 56.1687 32.2337 176.0938 67 T 4.0491 8.3879 123.8576 62.9670 68.9370 173.7652 68 Y 4.7824 7.7736 124.8633 55.5497 40.7408 174.8334 69 T 4.8249 9.6363 116.9520 62.2597 70.2680 173.5571 70 Y 5.3930 8.7628 123.6345 55.3230 41.9502 173.9211 71 E 4.4040 9.6734 118.9502 54.6629 33.6777 172.7346 72 C 5.3395 8.6388 125.1298 54.9054 42.2489 173.2192 73 S 4.2918 9.0556 120.7335 56.8898 63.7960 172.6905 74 Q 3.2705 9.7342 130.6227 56.9752 26.6807 174.3138 75 G 4.4697 8.0958 104.0723 45.4120 0.0000 171.5217 76 T 4.5241 7.6108 115.0871 60.0594 69.1769 172.7888 77 L 5.2110 8.3345 128.2636 54.2763 43.8294 176.2875 78 T 4.6557 8.9432 118.2344 62.4902 72.9663 172.2528 79 C 5.0059 8.8042 123.9986 56.0095 41.6203 173.9966 80 S 4.4552 9.1868 120.2388 57.8874 63.4223 174.9001 81 G 3.7003 8.7015 109.9788 48.5239 0.0000 175.7238 82 E 4.0450 8.1415 113.3802 57.0444 29.2236 176.1725 83 N 4.6492 7.9525 118.1482 52.7554 39.4904 176.0229 84 S 4.3337 8.5471 117.5354 57.9978 64.8153 174.8987 85 A 4.0206 8.6619 124.2388 55.8834 17.8469 180.7064 86 C 4.1949 8.1147 115.8789 59.5763 39.4327 175.4556 87 A 3.9925 7.8449 121.8351 55.2500 18.0444 179.3577 88 A 3.9441 8.4201 119.7096 55.6488 18.3766 180.1097 89 T 3.7706 7.6234 113.6222 66.6334 68.4810 177.2113 90 V 3.5879 7.6993 120.0673 66.1492 31.5500 176.7415 91 C 2.8595 8.4124 118.5041 59.6334 43.8551 175.0353 92 D 4.1532 7.8376 119.0154 57.5874 40.7681 177.3370 93 C 4.0021 8.0486 116.8284 60.4893 38.9858 176.1116 94 D 3.8693 8.1445 120.3707 57.2489 40.3175 179.1845 95 R 3.9300 8.1116 116.8091 59.1121 29.4778 178.9258 96 L 3.8567 8.1096 119.8013 57.2246 41.4628 179.3077 97 A 3.4531 7.7882 120.6035 54.8498 18.3268 179.3810 98 A 3.6666 8.0308 119.6627 55.5079 17.8932 180.0110 99 I 3.6800 7.8798 118.4156 64.5336 37.0973 177.9015 100 C 4.3246 8.0594 119.4826 59.3745 43.1584 175.7142 101 F 4.4055 7.8120 118.9863 60.5098 38.5405 177.1438 102 A 4.3227 7.8450 119.0618 55.0770 18.2207 179.4725 103 G 3.7157 7.7288 102.0329 46.1369 0.0000 174.4428 104 A 4.3618 7.1389 122.5015 50.9987 19.2554 175.3790 105 P 4.5038 0.0000 0.0000 62.3435 32.2137 175.5311 106 Y 4.2746 8.5419 122.8526 55.8793 39.8267 174.3004 107 N 4.9713 8.5877 126.4874 51.7455 40.1330 174.8565 108 D 4.6502 9.0392 126.7175 57.7001 41.1768 178.8403 109 N 4.3941 8.3238 115.5867 55.7737 38.8312 175.4393 110 N 4.5645 8.2024 114.8250 52.6983 38.7218 173.2306 111 Y 4.5507 7.4348 119.3399 56.7377 40.5196 174.7107 112 N 4.5766 7.9201 123.1033 53.7759 37.9178 174.3652 113 I 3.8076 7.3250 108.2326 59.8250 38.7800 175.4646 114 D 4.4893 8.2968 121.6838 53.2945 40.1695 176.5674 115 L 3.9195 8.4028 127.7366 57.5735 41.8065 179.5003 116 K 4.1028 7.6999 116.7831 57.9271 32.0050 176.7630 117 S 4.6999 7.9531 109.8310 58.4020 64.1835 174.5638 118 R 4.6085 7.8690 116.9195 55.9493 31.4557 176.1989 119 C 5.0125 8.3658 115.8303 56.6055 41.1561 174.1994 120 Q 4.1493 8.1834 124.4242 56.3151 28.3601 176.0780 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 N 8.23 5.13 0.00 3.03 2.95 0.00 0.00 5.76 6.90 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 2 I 7.87 3.61 1.90 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.77 0.86 0.00 0.00 3 K 8.74 3.84 0.00 1.97 1.78 0.00 1.45 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.52 7.81 4 Q 8.29 4.00 0.00 1.82 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 5 F 8.31 4.36 0.00 3.08 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.24 3.93 0.00 2.56 2.50 0.00 0.00 7.12 7.97 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 7 N 7.86 4.56 0.00 2.98 3.00 0.00 0.00 7.04 7.33 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 8 M 8.19 4.07 0.00 2.05 2.31 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 9 I 7.70 3.62 2.04 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.22 1.09 0.00 0.00 10 Q 7.95 4.29 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.66 2.49 0.00 11 C 8.15 4.31 0.00 3.12 3.34 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 12 T 7.86 4.02 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 1.26 0.00 0.00 13 V 7.83 4.52 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 1.11 0.00 0.00 1.06 0.00 0.00 14 P 0.00 4.64 0.00 2.10 2.14 0.00 3.82 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.42 0.00 15 A 7.49 3.94 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 *17 R 7.82 4.82 0.00 1.86 1.92 0.00 3.11 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.44 0.00 18 S 8.16 5.01 0.00 4.15 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 19 W 8.99 4.53 0.00 3.56 3.28 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 20 W 6.82 3.52 0.00 3.09 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 21 D 7.79 4.33 0.00 1.96 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 0.00 0.00 0.00 0.00 22 F 8.31 4.82 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 23 A 7.95 4.39 1.24 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 0.00 0.00 24 D 7.98 4.95 0.00 2.76 2.27 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 25 Y 8.24 4.94 0.00 3.28 2.77 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 0.00 0.00 0.00 26 G 8.18 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 0.00 0.00 0.00 27 C 9.69 4.74 0.00 3.23 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 28 Y 8.66 4.47 0.00 3.31 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 29 C 8.48 4.88 0.00 3.43 3.52 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 30 G 7.92 4.62 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 0.00 0.00 0.00 31 S 7.04 4.34 0.00 3.86 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 *33 G 8.66 3.57 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 0.00 0.00 0.00 34 S 6.26 5.04 0.00 3.98 3.62 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 35 G 8.22 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 36 S 8.43 4.71 0.00 3.89 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 37 P 0.00 4.59 0.00 2.07 1.99 0.00 3.73 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 2.00 1.78 0.00 38 V 8.30 4.19 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 0.82 0.00 0.00 0.96 0.00 0.00 39 D 7.44 4.59 0.00 2.96 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 40 D 8.86 4.40 0.00 2.75 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 41 L 8.05 3.97 0.00 1.79 1.81 0.66 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 42 D 9.20 4.67 0.00 3.03 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 43 R 7.65 4.06 0.00 2.21 1.93 0.00 3.19 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 44 C 8.44 4.11 0.00 3.58 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.41 4.46 0.00 3.19 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 46 Q 8.04 3.67 0.00 1.55 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.13 1.74 0.00 47 V 7.64 3.47 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 0.90 0.00 0.00 0.87 0.00 0.00 48 H 7.97 3.88 0.00 3.14 3.37 0.00 5.66 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 49 D 7.95 4.16 0.00 2.94 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 50 N 8.09 4.29 0.00 2.91 2.84 0.00 0.00 6.67 6.97 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 51 C 8.77 4.15 0.00 2.94 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 52 Y 7.99 4.32 0.00 3.06 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 53 N 8.38 4.40 0.00 2.71 2.90 0.00 0.00 7.11 8.04 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 54 A 8.00 4.32 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 55 G 8.22 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 0.00 0.00 0.00 56 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 57 G 7.55 3.72 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 0.00 0.00 0.00 58 V 7.15 3.83 2.17 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 0.78 0.00 0.00 0.95 0.00 0.00 59 T 8.40 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 1.20 0.00 0.00 60 G 8.63 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 61 C 7.58 4.44 0.00 3.09 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 62 A 8.16 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 3.78 0.00 1.13 0.49 0.00 3.47 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 64 K 7.66 3.98 0.00 1.77 1.81 0.00 1.23 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.52 7.81 65 S 7.50 4.40 0.00 3.71 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 66 K 8.37 4.02 0.00 1.80 1.69 0.00 1.88 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.53 7.81 67 T 8.39 4.05 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 1.12 0.00 0.00 68 Y 7.77 4.78 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.64 4.82 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 1.26 0.00 0.00 70 Y 8.76 5.39 0.00 3.08 2.97 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 71 E 9.67 4.40 0.00 1.90 1.72 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 2.11 2.13 0.00 72 C 8.64 5.34 0.00 3.12 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 73 S 9.06 4.29 0.00 3.81 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 74 Q 9.73 3.27 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 75 G 8.10 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 76 T 7.61 4.52 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 1.36 0.00 0.00 77 L 8.33 5.21 0.00 1.59 1.64 0.95 1.11 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 78 T 8.94 4.66 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 79 C 8.80 5.01 0.00 2.81 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 80 S 9.19 4.46 0.00 3.84 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 81 G 8.70 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 0.00 0.00 0.00 82 E 8.14 4.04 0.00 2.08 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 2.29 2.42 0.00 83 N 7.95 4.65 0.00 2.78 2.92 0.00 0.00 6.90 7.15 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 84 S 8.55 4.33 0.00 4.05 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 85 A 8.66 4.02 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 86 C 8.11 4.19 0.00 2.99 3.07 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 87 A 7.84 3.99 1.47 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 88 A 8.42 3.94 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 89 T 7.62 3.77 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 90 V 7.70 3.59 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 1.22 0.00 0.00 0.88 0.00 0.00 91 C 8.41 2.86 0.00 2.51 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 92 D 7.84 4.15 0.00 2.94 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 93 C 8.05 4.00 0.00 3.28 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 94 D 8.14 3.87 0.00 2.66 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 95 R 8.11 3.93 0.00 1.97 2.12 0.00 2.73 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 96 L 8.11 3.86 0.00 1.72 1.63 0.89 0.76 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 97 A 7.79 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.03 3.67 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 99 I 7.88 3.68 1.91 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 1.38 1.17 0.88 0.00 0.00 100 C 8.06 4.32 0.00 3.01 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 0.00 101 F 7.81 4.41 0.00 2.91 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.85 4.32 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 0.00 103 G 7.73 3.72 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 0.00 0.00 0.00 104 A 7.14 4.36 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 0.00 105 P 0.00 4.50 0.00 2.12 2.05 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 106 Y 8.54 4.27 0.00 2.93 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 0.00 107 N 8.59 4.97 0.00 2.89 2.72 0.00 0.00 6.75 7.86 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 0.00 108 D 9.04 4.65 0.00 2.82 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 0.00 109 N 8.32 4.39 0.00 2.89 2.88 0.00 0.00 6.97 8.03 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 0.00 110 N 8.20 4.56 0.00 2.14 2.10 0.00 0.00 6.33 7.42 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 0.00 111 Y 7.43 4.55 0.00 3.02 3.07 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 0.00 112 N 7.92 4.58 0.00 2.02 2.67 0.00 0.00 7.18 7.47 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 0.00 113 I 7.33 3.81 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.60 0.75 0.00 0.00 114 D 8.30 4.49 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 0.00 115 L 8.40 3.92 0.00 1.70 1.65 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.70 4.10 0.00 1.72 2.01 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.37 7.81 117 S 7.95 4.70 0.00 3.97 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 0.00 118 R 7.87 4.61 0.00 1.73 1.92 0.00 3.28 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 119 C 8.37 5.01 0.00 2.93 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 0.00 120 Q 8.18 4.15 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.