NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5417 8.1400 114.6871 58.2301 64.6641 175.2592 2 V 3.5461 7.9677 119.7349 65.3430 30.9209 172.6283 3 V 3.5757 8.4716 118.9390 65.8956 31.4981 176.9453 4 E 4.0425 8.0256 117.6912 59.5418 29.2699 179.1922 5 L 4.0744 8.4648 120.5273 58.0401 42.0425 178.9789 6 G 3.7069 8.2201 105.7330 47.9928 0.0000 175.2039 7 K 3.9353 8.8975 122.4922 59.4715 32.1272 178.8007 8 M 3.9616 8.4460 118.7700 59.0784 31.9486 178.5325 9 I 3.5859 7.8881 119.5345 64.7654 37.3092 178.2782 10 I 3.9056 7.7831 113.4570 64.3600 37.1005 178.1566 11 Q 4.0166 7.9292 118.7869 58.7668 28.6366 178.4913 12 E 4.1438 8.3753 118.8496 59.2313 29.7963 178.6087 13 T 4.2756 8.1869 108.4564 62.2532 69.8988 176.0181 14 G 3.8027 7.8080 108.6962 45.1030 0.0000 172.5092 *16 K 4.7741 7.4984 116.9177 55.7584 33.3543 175.5734 17 S 4.2434 8.6170 118.3887 57.7279 63.0289 172.5310 18 P 4.4134 0.0000 0.0000 65.4530 31.0018 175.4338 19 F 4.9411 8.2120 120.0211 55.4211 40.7953 172.9018 20 P 3.9743 0.0000 0.0000 62.3675 31.4282 176.5913 21 S 4.1320 7.7549 116.7069 61.3271 62.3934 174.6364 22 Y 4.8912 8.7162 115.8536 57.6021 39.3860 177.1998 23 T 4.2777 8.0738 109.9890 63.7849 69.2874 176.0446 24 S 4.7325 7.8220 116.1494 58.6812 63.8074 173.1176 25 Y 4.5939 7.6113 121.0315 58.6163 39.7005 176.6661 26 G 3.3349 7.1746 113.9124 47.1407 0.0000 173.1743 27 C 4.1384 8.7036 114.7871 60.4363 28.9071 174.9473 28 F 4.8770 8.7166 116.7412 57.1446 40.1004 174.8306 29 C 4.4689 7.9129 120.2468 60.6939 28.2274 174.0791 30 G 4.1668 7.9640 112.3013 45.9977 0.0000 172.4052 31 G 4.1980 7.8416 105.7257 43.6990 0.0000 172.4097 32 G 3.8170 8.2316 105.4251 44.4954 0.0000 173.1219 33 E 4.8649 8.7345 121.1703 56.0248 32.6197 175.3511 34 R 4.8204 8.1156 119.6418 53.9663 31.6190 175.7980 35 G 4.2913 8.6985 111.5029 45.7360 0.0000 172.1331 36 P 5.1319 0.0000 0.0000 61.1453 32.3174 174.4518 37 P 4.8667 0.0000 0.0000 62.9943 31.8300 176.7866 38 L 4.0946 8.5012 120.6797 56.9439 42.1619 176.1413 39 D 4.6300 7.4880 114.3764 51.3902 42.0017 174.6783 40 A 4.1501 8.8034 119.5262 55.8674 18.1928 179.9458 41 T 3.7849 8.0182 113.7117 66.9740 68.6809 176.2435 42 D 4.6145 9.1639 119.9435 57.2197 41.1610 178.2928 43 R 4.0974 7.8782 118.0875 58.9051 30.1398 178.4928 44 C 4.1542 8.0905 116.8527 62.9009 28.1532 175.7785 45 C 4.2076 7.9938 117.7793 62.2333 27.8083 175.5762 46 L 3.7900 7.4170 120.6997 57.6370 41.3300 178.7147 47 A 3.9082 7.7574 120.1940 55.0472 18.5433 178.7994 48 H 4.0496 8.0679 116.7864 59.5737 29.9814 177.4041 49 S 3.9651 7.7688 116.5831 62.1361 62.5189 176.8528 50 C 4.2238 7.7608 117.6315 62.6145 27.7281 175.3739 51 C 4.2724 8.0540 120.6412 62.3768 31.1001 175.0256 52 Y 4.4670 7.7828 117.9490 60.6569 37.4439 177.0576 53 D 4.6573 8.0891 118.9879 56.1077 40.8316 177.4711 54 T 4.6470 7.2611 108.5294 60.9438 71.0647 174.9851 55 L 4.7860 7.6786 117.6845 53.9239 42.1169 175.0708 56 P 4.3474 0.0000 0.0000 63.7898 32.3974 177.0832 *59 D 4.4464 7.9391 119.2869 54.6508 42.6666 175.2211 *61 C 4.7004 7.4892 113.8100 57.1292 38.2564 172.7251 *67 S 4.3557 8.3388 111.3658 57.9067 63.3296 173.2368 68 P 4.0438 0.0000 0.0000 65.8790 31.1619 178.4155 69 K 4.2188 7.8791 117.1592 58.5630 32.3980 177.5354 70 T 4.3271 8.2462 107.8309 63.2355 70.0540 174.5211 71 D 4.3064 7.5794 119.2790 53.6918 41.8847 175.8769 72 R 4.6850 8.2236 124.3499 55.0958 32.3183 175.4139 73 Y 4.8770 7.2866 116.0304 56.7669 39.9866 172.9167 74 K 4.8935 8.5577 117.6399 56.0055 36.5667 175.2878 75 Y 5.0487 8.0548 117.2782 56.4494 40.7388 173.5788 76 K 4.4725 8.8427 119.9931 54.7388 35.8823 175.8733 77 R 5.3868 8.1139 119.2239 53.8301 29.2358 174.3972 78 E 4.1933 8.2143 119.5606 55.4508 30.2460 175.1235 79 N 4.0455 9.3040 126.5624 54.8812 37.5538 173.9279 80 G 3.8382 8.1739 102.2878 44.3507 0.0000 172.2729 81 E 4.6678 7.2040 120.0032 56.0480 32.8190 174.0336 82 I 4.8912 8.3772 123.0421 59.9213 38.7591 175.2811 83 I 4.5002 8.3861 128.0070 59.6652 39.2581 175.3954 84 C 4.8518 8.7531 125.0549 59.2696 29.5669 173.2611 85 E 4.4287 8.6912 119.2222 55.7827 31.4701 176.3381 86 N 4.9657 8.3508 114.4228 53.0544 39.6575 175.7929 87 S 4.2488 8.2215 114.3387 61.0530 62.5891 174.3734 88 T 4.6951 7.4462 108.1002 59.6000 71.6967 173.8083 89 S 3.8800 8.6298 116.6842 62.0534 62.7778 176.9118 *91 C 4.5833 8.0365 115.6861 57.0157 36.5220 176.1378 92 K 3.7727 7.8594 118.2924 59.7372 31.1302 179.2880 93 K 4.0272 8.1907 121.1017 58.8870 32.1953 178.7988 94 R 4.0702 8.2839 118.1525 58.2366 30.1120 178.5870 95 I 3.9137 7.6963 119.8358 63.7235 37.1735 177.6637 96 C 3.7432 7.2273 120.6581 61.4996 31.3623 175.3512 97 E 3.9458 7.7600 119.3276 58.9230 29.0112 179.0924 98 C 4.1603 7.5324 116.4343 63.0016 28.3042 175.7898 99 D 4.4321 8.1680 120.5161 57.0550 40.3841 178.7126 100 K 3.7597 8.3254 120.2376 59.5271 32.2620 178.6335 101 A 3.9828 7.8461 120.8782 55.1663 18.1567 179.9453 102 V 3.5625 7.7208 116.9179 64.4890 31.6549 178.6616 103 A 3.7642 7.8341 121.4941 54.8152 18.1644 179.7531 104 V 3.4581 7.6316 116.7866 66.1513 31.5559 177.5320 105 C 3.9569 7.9549 118.3311 62.6480 31.1516 175.4147 106 L 3.8774 7.7316 119.1501 57.7899 41.3855 179.3081 107 R 3.9747 7.9265 118.2874 59.5130 29.8870 178.3038 108 K 3.8081 8.0872 118.2260 59.0587 32.2144 177.2376 109 N 4.9779 7.6254 114.1522 52.8271 38.9389 176.5080 110 L 4.0813 8.1071 123.6535 57.5960 41.8403 178.6070 111 N 4.7082 8.1664 114.0275 54.3502 37.4035 175.2938 112 T 4.6320 8.1083 107.4449 61.1609 69.9847 173.2121 113 Y 3.9423 7.9341 123.6025 58.0076 39.1763 174.7368 114 N 4.6852 9.0800 126.3487 51.4012 39.5335 175.0566 115 K 3.3814 8.9448 126.2414 58.0818 32.2760 178.4120 116 K 4.2368 8.2899 116.2717 57.0980 33.0956 176.6431 117 Y 4.7051 8.1901 118.4403 58.6205 38.8847 177.7537 118 T 3.8366 7.1386 117.3278 66.4919 68.5286 173.4933 119 Y 4.9025 7.3637 120.2894 56.0497 37.0349 172.2916 120 Y 4.1433 8.2443 122.8862 54.1991 40.6874 173.7286 121 P 4.1020 0.0000 0.0000 62.2650 32.0799 176.8829 122 N 4.2842 8.6202 121.0226 55.9090 39.1573 175.8631 *124 F 4.8920 7.8824 111.0166 56.3738 39.4597 175.3054 125 W 4.3890 7.4808 120.2748 57.7764 29.3279 176.8883 126 C 4.5072 7.6169 117.2488 58.5638 26.0567 173.2688 127 K 4.1965 8.3165 123.2700 57.6514 32.5479 177.7933 128 G 4.2240 7.5983 105.9232 46.1799 0.0000 173.2579 129 D 4.7888 8.6625 120.1352 52.5185 40.6517 175.9092 130 I 3.8399 8.4568 119.6535 62.0121 37.6625 175.5465 131 E 4.1339 9.3420 127.3932 56.2731 29.9070 176.9613 132 K 4.4201 8.3989 122.8343 55.6851 33.6779 176.6175 133 C 4.2472 8.4347 117.7918 60.0681 28.2423 173.8469 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 S 8.14 4.54 0.00 4.17 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 0.00 2 V 7.97 3.55 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 1.06 0.00 0.00 1.02 0.00 0.00 3 V 8.47 3.58 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 1.01 0.00 0.00 0.92 0.00 0.00 4 E 8.03 4.04 0.00 1.68 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 1.47 2.23 0.00 5 L 8.46 4.07 0.00 1.90 1.79 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 6 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 7 K 8.90 3.94 0.00 2.12 2.07 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.77 7.81 8 M 8.45 3.96 0.00 1.89 2.22 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 2.09 2.16 0.00 9 I 7.89 3.59 2.02 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 1.85 0.80 0.85 0.00 0.00 10 I 7.78 3.91 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.03 0.99 0.00 0.00 11 Q 7.93 4.02 0.00 2.39 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 12 E 8.38 4.14 0.00 1.86 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 2.52 2.40 0.00 13 T 8.19 4.28 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 1.14 0.00 0.00 14 G 7.81 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 *16 K 7.50 4.77 0.00 1.82 1.63 0.00 1.09 0.00 0.00 1.47 0.00 0.00 2.22 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 1.24 7.81 17 S 8.62 4.24 0.00 3.90 3.83 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 18 P 0.00 4.41 0.00 2.40 2.44 0.00 3.80 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 2.20 2.08 0.00 19 F 8.21 4.94 0.00 3.09 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 20 P 0.00 3.97 0.00 2.11 1.02 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.90 0.00 21 S 7.75 4.13 0.00 3.94 3.39 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 22 Y 8.72 4.89 0.00 3.06 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 23 T 8.07 4.28 4.46 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 1.52 0.00 0.00 24 S 7.82 4.73 0.00 4.05 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 25 Y 7.61 4.59 0.00 3.14 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 26 G 7.17 3.33 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 0.00 27 C 8.70 4.14 0.00 2.10 2.29 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 28 F 8.72 4.88 0.00 3.26 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 7.91 4.47 0.00 3.35 3.33 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 30 G 7.96 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 31 G 7.84 4.20 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 0.00 0.00 0.00 32 G 8.23 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 0.00 0.00 0.00 33 E 8.73 4.86 0.00 2.12 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 0.00 2.31 2.36 0.00 34 R 8.12 4.82 0.00 1.72 2.08 0.00 3.20 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 35 G 8.70 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 0.00 0.00 0.00 0.00 36 P 0.00 5.13 0.00 2.23 2.12 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 37 P 0.00 4.87 0.00 2.12 2.16 0.00 3.75 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.29 0.00 38 L 8.50 4.09 0.00 1.09 0.90 -1.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.49 4.63 0.00 2.84 2.84 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 0.00 0.00 0.00 40 A 8.80 4.15 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 41 T 8.02 3.78 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 0.70 0.00 0.00 42 D 9.16 4.61 0.00 2.91 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 43 R 7.88 4.10 0.00 2.13 1.92 0.00 3.15 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 44 C 8.09 4.15 0.00 2.98 2.89 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 45 C 7.99 4.21 0.00 3.09 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 46 L 7.42 3.79 0.00 0.74 1.41 0.45 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.76 3.91 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 48 H 8.07 4.05 0.00 3.26 3.38 0.00 5.81 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 S 7.77 3.97 0.00 4.05 3.92 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 0.00 0.00 0.00 50 C 7.76 4.22 0.00 3.04 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 51 C 8.05 4.27 0.00 3.12 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 52 Y 7.78 4.47 0.00 3.12 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 53 D 8.09 4.66 0.00 2.79 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 54 T 7.26 4.65 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 1.28 0.00 0.00 55 L 7.68 4.79 0.00 1.63 1.53 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.35 0.00 2.17 2.15 0.00 3.86 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 1.98 1.95 0.00 *59 D 7.94 4.45 0.00 2.78 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 *61 C 7.49 4.70 0.00 2.97 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 *67 S 8.34 4.36 0.00 3.88 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 68 P 0.00 4.04 0.00 0.49 1.57 0.00 3.63 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 69 K 7.88 4.22 0.00 1.79 1.98 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.24 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.68 1.54 7.81 70 T 8.25 4.33 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 71 D 7.58 4.31 0.00 2.65 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 72 R 8.22 4.68 0.00 1.83 1.79 0.00 3.41 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.52 0.00 73 Y 7.29 4.88 0.00 3.39 3.09 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 74 K 8.56 4.89 0.00 1.70 1.72 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.76 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.40 7.81 75 Y 8.05 5.05 0.00 3.17 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 76 K 8.84 4.47 0.00 1.73 1.73 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.54 7.81 77 R 8.11 5.39 0.00 1.67 1.89 0.00 3.66 0.00 0.00 4.01 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.39 0.00 78 E 8.21 4.19 0.00 1.95 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 2.29 0.00 79 N 9.30 4.05 0.00 2.89 2.87 0.00 0.00 7.20 7.98 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 80 G 8.17 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 81 E 7.20 4.67 0.00 1.96 1.76 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 2.17 2.20 0.00 82 I 8.38 4.89 1.84 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.73 0.79 0.00 0.00 83 I 8.39 4.50 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.13 0.94 0.00 0.00 84 C 8.75 4.85 0.00 2.91 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 85 E 8.69 4.43 0.00 2.09 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 0.00 2.66 2.37 0.00 86 N 8.35 4.97 0.00 2.67 2.82 0.00 0.00 6.80 7.57 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 87 S 8.22 4.25 0.00 4.03 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 88 T 7.45 4.70 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 1.22 0.00 0.00 89 S 8.63 3.88 0.00 3.86 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 *91 C 8.04 4.58 0.00 3.03 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 92 K 7.86 3.77 0.00 1.96 2.06 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.67 1.50 7.81 93 K 8.19 4.03 0.00 2.00 2.05 0.00 1.49 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.33 7.81 94 R 8.28 4.07 0.00 1.81 1.91 0.00 3.14 0.00 0.00 3.14 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 95 I 7.70 3.91 1.69 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.87 0.91 0.00 0.00 96 C 7.23 3.74 0.00 1.86 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 97 E 7.76 3.95 0.00 2.00 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 0.00 2.51 2.45 0.00 98 C 7.53 4.16 0.00 3.54 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 99 D 8.17 4.43 0.00 2.82 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 0.00 100 K 8.33 3.76 0.00 1.77 1.80 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.40 7.81 101 A 7.85 3.98 1.41 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 0.00 102 V 7.72 3.56 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 0.73 0.00 0.00 0.75 0.00 0.00 103 A 7.83 3.76 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 0.00 104 V 7.63 3.46 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 1.03 0.00 0.00 0.97 0.00 0.00 105 C 7.95 3.96 0.00 3.18 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 0.00 106 L 7.73 3.88 0.00 1.53 1.42 0.09 0.74 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 0.00 107 R 7.93 3.97 0.00 1.94 2.07 0.00 3.10 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 108 K 8.09 3.81 0.00 1.80 2.03 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.54 7.81 109 N 7.63 4.98 0.00 2.75 2.83 0.00 0.00 6.88 8.02 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 0.00 110 L 8.11 4.08 0.00 1.76 1.73 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.17 4.71 0.00 2.83 2.96 0.00 0.00 5.80 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 0.00 112 T 8.11 4.63 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 0.00 113 Y 7.93 3.94 0.00 2.97 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 0.00 114 N 9.08 4.69 0.00 2.33 1.97 0.00 0.00 6.80 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.94 3.38 0.00 1.85 1.84 0.00 2.05 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.59 7.81 116 K 8.29 4.24 0.00 1.78 1.81 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.29 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.22 1.16 7.81 117 Y 8.19 4.71 0.00 2.04 1.55 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 0.00 118 T 7.14 3.84 3.65 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 0.00 0.00 0.00 0.83 0.00 0.00 119 Y 7.36 4.90 0.00 2.91 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 0.00 120 Y 8.24 4.14 0.00 2.87 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 0.00 121 P 0.00 4.10 0.00 1.44 1.57 0.00 2.20 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 122 N 8.62 4.28 0.00 2.82 2.88 0.00 0.00 6.93 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 *124 F 7.88 4.89 0.00 3.24 3.16 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 0.00 125 W 7.48 4.39 0.00 3.00 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 0.00 126 C 7.62 4.51 0.00 2.99 2.90 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 0.00 127 K 8.32 4.20 0.00 1.76 1.89 0.00 1.85 0.00 0.00 1.78 0.00 0.00 3.36 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.39 7.81 128 G 7.60 4.22 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 0.00 0.00 0.00 129 D 8.66 4.79 0.00 2.70 2.71 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 0.00 130 I 8.46 3.84 1.91 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 1.38 0.53 0.98 0.00 0.00 131 E 9.34 4.13 0.00 2.05 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 2.74 2.59 0.00 132 K 8.40 4.42 0.00 1.74 1.72 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.46 7.81 133 C 8.43 4.25 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.