NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4207 8.2893 120.3510 55.5830 34.5290 175.6704 2 S 4.3390 7.5169 112.9651 55.5763 64.3019 173.7868 3 R 4.0201 8.3985 118.3181 59.0613 30.4809 179.4106 4 S 4.5298 7.7710 111.9559 59.1874 63.3451 175.1531 5 Q 4.7369 7.7172 118.9243 55.7909 29.6380 175.8745 6 L 4.3731 7.5177 118.9077 54.6510 43.3743 176.0423 7 T 4.9174 8.3559 118.4279 62.3321 69.9383 174.0091 8 I 4.2432 8.3957 128.3976 59.4319 39.5028 174.7006 9 L 4.9110 8.3625 127.1399 53.2534 43.4873 175.6331 10 T 5.3443 8.7600 113.6358 60.0131 73.0468 172.1259 11 N 5.5249 9.4253 118.6307 51.3832 41.4036 173.1865 12 I 5.2227 8.8668 111.9844 59.6342 41.8037 173.4957 13 C 5.1467 8.8196 122.6973 57.6577 34.6441 173.1409 14 L 3.5467 8.6976 129.1090 54.1797 42.7119 175.4639 15 I 4.7115 8.1131 128.6638 59.9115 38.9475 174.3270 16 E 5.1580 9.1596 129.3677 54.3641 32.2060 174.3287 17 D 5.0940 9.4251 128.1807 53.2014 41.2354 176.9966 18 L 4.0902 8.6964 127.1098 57.3487 42.0838 178.8538 19 E 4.1026 8.4026 118.3928 58.4867 29.4453 177.6812 20 T 4.3166 7.7871 105.7547 60.3954 70.4581 173.9048 21 Q 3.5505 8.2233 121.0344 57.3932 26.9646 172.9656 22 R 5.2958 7.4812 113.8484 54.5338 33.9083 175.6611 23 V 5.2137 8.9826 120.6405 61.0975 35.2839 174.7277 24 V 3.8631 8.2705 127.4245 62.9926 31.8877 175.0762 25 M 5.0774 9.0996 127.8741 53.5921 35.3566 174.5262 26 Q 5.1396 9.2077 123.2618 54.5051 32.3448 173.4229 27 Y 4.2632 8.8239 128.5636 56.1100 39.8766 174.7574 28 R 4.3723 7.6058 124.1500 54.1710 31.1095 177.1585 29 A 3.5766 8.6077 127.9815 53.8017 19.0195 176.6294 *35 W 4.4235 7.6131 124.5975 56.5782 31.9922 175.0568 36 S 3.9712 6.9612 119.4441 59.2698 63.1131 173.0241 37 G 3.8484 7.6727 108.7709 43.6255 0.0000 172.2814 38 Y 4.6306 9.0916 117.4879 58.3094 39.0018 175.8331 39 A 4.5966 8.9543 124.4843 50.8397 23.4637 174.7348 40 F 5.1998 8.3417 116.7463 56.5868 40.1238 174.7506 41 P 4.5361 0.0000 0.0000 62.1768 33.0510 176.0069 42 G 4.5900 7.1613 107.7204 45.7471 0.0000 170.9603 43 G 4.2628 8.3579 104.5346 47.3416 0.0000 172.1954 44 H 5.1890 9.0117 117.7274 54.9518 30.2108 175.4753 45 V 4.4261 8.3982 123.0736 61.9059 31.9267 176.0113 46 E 4.3013 9.7356 128.0533 55.7989 30.2043 177.5818 47 N 4.2713 8.7974 118.9522 55.9342 38.6395 175.7561 48 D 4.7049 7.9464 114.5263 52.8133 40.5815 175.8171 49 E 4.5563 7.6185 118.7528 54.6433 31.5896 175.6540 50 A 4.0580 8.8319 122.7796 51.7152 20.4592 179.1079 51 F 4.3327 8.4087 119.5499 60.8059 39.0615 178.1082 52 A 3.8557 8.1541 119.9276 55.0969 18.2597 179.2658 53 E 3.8805 8.1577 116.6685 59.5978 29.6603 179.4045 54 S 4.4242 8.5447 114.7863 60.8640 62.4185 176.6466 55 V 3.7640 7.6827 121.9121 64.7233 31.1215 178.3972 56 I 3.6244 7.6134 120.5165 64.0385 36.9236 178.3953 57 R 3.9244 8.0810 119.3967 59.5389 29.8185 178.3480 58 E 4.0003 8.5466 118.7744 59.5732 29.4764 179.4720 59 I 3.7117 8.0401 119.9958 64.3802 37.0586 177.8253 60 Y 4.5900 8.1017 121.6883 60.3660 38.4409 178.0592 61 E 3.8401 8.2575 118.1870 59.3559 29.6754 178.7428 62 E 4.2602 8.3304 117.3090 57.7309 30.0415 177.3094 63 T 4.3994 7.9204 106.7391 59.8940 70.2597 175.8932 64 G 3.6494 8.1446 109.8151 45.2094 0.0000 173.3756 65 L 4.7743 7.6654 120.3626 54.2116 43.8077 176.0122 66 T 4.8871 9.0767 120.6567 62.1506 69.8216 174.0627 67 I 4.8059 8.4481 120.6606 60.3676 39.2520 175.1436 68 Q 4.5966 9.1440 123.4541 54.4805 31.7111 175.1472 69 N 4.1487 8.7573 119.7115 53.8473 37.4181 172.5617 70 P 4.6266 0.0000 0.0000 63.3139 32.6390 176.4255 71 Q 4.7446 9.0704 121.8606 53.9392 31.0375 174.7622 72 L 4.0296 8.6930 126.6289 55.4287 42.2628 176.6787 73 V 4.3514 9.6151 118.4483 60.0491 33.8001 175.5609 74 G 4.0726 6.8179 107.3582 46.3053 0.0000 171.0430 75 I 5.0861 8.2265 120.1330 59.3219 41.0846 174.7808 76 K 5.3448 9.0399 129.0426 55.0176 34.2653 174.7442 77 N 5.5861 9.7362 123.7015 52.2438 41.2185 173.1106 78 W 5.4151 8.5107 115.5149 54.8014 31.7679 172.3755 79 P 4.9475 0.0000 0.0000 62.9186 31.5925 175.7751 80 L 4.7695 8.7333 122.8826 53.1441 43.9663 177.5726 81 D 4.2335 8.8983 119.5733 57.3587 41.0427 177.2065 82 T 4.6370 7.6965 115.6587 62.9682 69.1998 175.3925 83 G 3.9451 8.6300 109.5707 44.9417 0.0000 173.7619 84 G 4.0500 7.9297 107.6307 45.9954 0.0000 172.5383 85 R 5.1333 8.7186 118.4764 55.1544 34.1685 172.8151 86 Y 4.3243 8.5864 127.5126 55.8957 40.7635 174.1430 87 I 4.8738 8.1303 127.1521 59.3639 40.9214 174.5219 88 V 4.8380 8.9483 126.9081 60.2037 34.0357 174.3488 89 I 4.1714 8.9187 130.6962 60.9413 38.4093 174.7905 90 C 5.1510 8.8213 125.6442 58.3737 30.1497 172.6792 91 Y 5.2687 8.9547 120.6848 55.9779 41.7676 174.4054 92 K 5.1268 9.1573 122.0592 54.6650 35.7547 174.7213 93 A 5.1669 9.1980 128.2007 50.5945 21.8149 176.5103 94 T 5.0486 8.9598 110.1946 60.4513 70.7784 173.6155 95 E 4.7030 8.0468 123.1767 54.8258 31.4468 174.9018 96 F 5.6164 8.0846 118.1395 57.1043 41.0032 172.6000 97 S 4.7096 9.5781 113.7076 56.9754 67.1096 172.2939 98 G 4.1499 9.0119 105.3366 44.7750 0.0000 172.5617 99 T 4.7670 8.0718 114.7196 61.0598 70.6612 174.6815 100 L 4.2248 8.7963 128.4751 55.8003 42.7497 176.0815 101 Q 4.5267 8.7165 127.2089 54.8913 32.1764 174.4359 102 S 4.5736 8.7490 122.7053 58.5921 64.4019 172.6492 103 S 4.7296 8.2198 114.3090 56.3108 66.3132 174.5451 104 E 3.9558 8.9984 119.7887 59.1081 29.2045 177.2437 105 E 4.2309 8.1304 116.1915 56.3355 29.6342 176.3827 106 G 4.4065 7.2294 113.5966 44.5287 0.0000 171.6614 107 E 4.3703 8.1707 122.0984 56.2174 30.5354 176.3246 108 V 5.0961 8.4023 117.8427 59.9116 34.4851 175.2581 109 S 4.6222 8.5779 116.4478 56.9146 66.8606 173.2254 110 W 5.0095 8.7474 121.8288 56.3284 29.6425 175.7684 111 V 4.4900 8.8539 125.8370 60.5816 33.8031 175.1471 112 Q 4.4498 8.8072 126.3729 56.1402 29.3958 177.3782 113 K 3.9359 9.1836 124.9664 59.6469 32.2954 178.1093 114 D 4.5959 8.0971 115.4195 54.9643 39.7840 176.4031 115 Q 4.4630 8.2261 119.0314 55.8159 29.9823 177.3197 116 I 3.6608 7.7153 120.0215 64.0600 37.2127 176.5570 117 P 4.3473 0.0000 0.0000 64.9994 31.1897 176.8108 118 N 4.5960 7.9036 113.9682 53.7681 38.8422 175.3361 119 L 4.2546 7.4167 118.6754 53.8851 42.7659 176.9533 120 N 4.7726 8.6771 117.8573 53.3090 38.2701 174.2854 121 L 5.0583 8.3488 123.0376 53.0393 43.6796 176.6558 122 A 5.0895 8.7734 123.8418 51.5303 19.7607 176.6780 123 Y 3.8052 9.0727 120.4540 59.4250 39.1260 176.2442 124 D 4.2478 8.1430 124.1277 55.5362 38.7467 175.3917 125 M 3.8977 7.7831 121.8480 58.4997 31.7115 178.7609 126 L 3.9733 7.7159 118.5780 57.3403 41.9483 177.6786 127 P 4.2791 0.0000 0.0000 65.5754 31.1493 178.1998 128 L 4.0052 8.0756 120.2634 58.3559 41.9669 178.5571 129 M 4.2267 8.4318 118.5420 58.6399 32.1338 177.7096 130 E 3.9429 8.5654 119.7321 59.4999 29.6135 178.4502 131 M 4.0673 8.1256 117.0839 58.9306 32.3890 177.8149 132 M 4.2410 8.0354 117.6150 58.6532 32.3011 178.5052 133 E 4.1711 8.3767 117.0801 57.6878 29.5406 177.4716 134 A 4.2011 7.7075 123.8298 51.0791 18.8095 176.6485 135 P 4.3739 0.0000 0.0000 64.6894 31.7340 176.8378 136 D 4.9202 8.0587 116.6762 52.6045 39.7097 175.6652 137 K 4.8415 7.6808 117.9811 55.2995 35.1735 176.2789 138 S 4.7581 9.3952 113.8078 58.1219 66.1062 172.7933 139 E 5.2736 8.2539 121.5257 54.8288 33.4376 173.3222 140 F 5.1007 9.6180 129.0732 56.4846 42.0372 173.4550 141 F 5.6750 9.2412 129.0031 56.7493 41.5774 173.1178 142 Y 4.9867 8.2649 123.4317 55.8339 38.6540 175.1589 143 P 3.9074 0.0000 0.0000 63.4699 32.1168 176.7385 144 R 3.5419 6.8357 113.7982 57.1701 27.9914 177.3507 145 R 4.0315 8.5209 117.7903 58.4734 30.8706 177.5102 146 T 4.6907 7.2855 106.1064 58.9053 71.7945 174.4685 147 E 3.8877 8.7168 119.7704 58.6408 29.5723 177.3771 148 D 4.6320 7.7521 116.1108 52.7128 40.0087 175.7346 149 D 4.3716 7.5672 120.3888 54.3972 40.1812 175.2926 150 W 4.3953 8.2438 126.7691 55.9787 29.8729 175.9125 151 E 4.3885 8.1700 119.4177 56.4089 29.6104 175.9848 152 K 4.8795 8.5424 123.0522 54.9569 36.0923 175.1438 153 K 4.3912 8.7502 119.9449 54.5152 35.8564 175.2397 154 I 4.6672 7.8057 124.2435 59.3641 39.6855 175.6131 155 F 4.5682 8.9457 124.9130 57.5682 39.3988 175.3472 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 8.29 4.42 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 2 S 7.52 4.34 0.00 4.15 3.99 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 3 R 8.40 4.02 0.00 2.08 2.28 0.00 3.02 0.00 0.00 3.43 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 4 S 7.77 4.53 0.00 4.13 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 5 Q 7.72 4.74 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.95 0.00 0.00 0.00 0.00 0.00 2.61 2.29 0.00 6 L 7.52 4.37 0.00 1.67 1.57 0.94 0.61 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 7 T 8.36 4.92 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 1.17 0.00 0.00 8 I 8.40 4.24 0.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.90 0.48 0.00 0.00 9 L 8.36 4.91 0.00 1.63 1.76 1.04 0.67 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 10 T 8.76 5.34 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 0.86 0.00 0.00 11 N 9.43 5.52 0.00 3.09 3.13 0.00 0.00 6.90 7.23 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 12 I 8.87 5.22 2.08 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.85 1.06 0.00 0.00 13 C 8.82 5.15 0.00 2.96 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 14 L 8.70 3.55 0.00 0.95 1.26 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.11 4.71 1.64 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.35 0.56 0.00 0.00 16 E 9.16 5.16 0.00 2.10 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 2.29 2.33 0.00 17 D 9.43 5.09 0.00 2.36 2.25 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 0.00 18 L 8.70 4.09 0.00 1.68 1.73 0.94 1.07 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 19 E 8.40 4.10 0.00 2.05 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 2.28 2.17 0.00 20 T 7.79 4.32 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 1.03 0.00 0.00 21 Q 8.22 3.55 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 22 R 7.48 5.30 0.00 1.75 2.13 0.00 3.01 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 23 V 8.98 5.21 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 1.27 0.00 0.00 1.07 0.00 0.00 24 V 8.27 3.86 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 0.47 0.00 0.00 -0.46 0.00 0.00 25 M 9.10 5.08 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.83 0.00 26 Q 9.21 5.14 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.83 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 27 Y 8.82 4.26 0.00 2.39 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.61 4.37 0.00 1.74 1.90 0.00 3.02 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.51 0.00 29 A 8.61 3.58 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 *35 W 7.61 4.42 0.00 3.05 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 36 S 6.96 3.97 0.00 3.14 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 37 G 7.67 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 0.00 0.00 0.00 38 Y 9.09 4.63 0.00 2.91 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 39 A 8.95 4.60 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.34 5.20 0.00 3.00 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 41 P 0.00 4.54 0.00 2.11 2.18 0.00 4.13 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.93 0.00 42 G 7.16 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 0.00 0.00 0.00 0.00 43 G 8.36 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 0.00 0.00 0.00 0.00 44 H 9.01 5.19 0.00 3.04 3.27 0.00 5.89 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.40 4.43 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 1.04 0.00 0.00 1.23 0.00 0.00 46 E 9.74 4.30 0.00 2.09 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 0.00 2.33 2.38 0.00 47 N 8.80 4.27 0.00 2.68 2.87 0.00 0.00 6.86 8.06 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 48 D 7.95 4.70 0.00 2.73 2.73 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 0.00 0.00 0.00 49 E 7.62 4.56 0.00 2.17 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 0.00 2.39 2.18 0.00 50 A 8.83 4.06 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 51 F 8.41 4.33 0.00 3.25 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 52 A 8.15 3.86 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 53 E 8.16 3.88 0.00 2.23 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 2.38 2.36 0.00 54 S 8.54 4.42 0.00 4.05 4.11 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 55 V 7.68 3.76 1.67 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 -0.08 0.00 0.00 0.80 0.00 0.00 56 I 7.61 3.62 1.95 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 1.36 0.71 0.89 0.00 0.00 57 R 8.08 3.92 0.00 1.93 2.12 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 58 E 8.55 4.00 0.00 2.09 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 2.48 2.59 0.00 59 I 8.04 3.71 1.95 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 1.59 1.01 0.94 0.00 0.00 60 Y 8.10 4.59 0.00 3.13 3.15 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 0.00 0.00 0.00 0.00 61 E 8.26 3.84 0.00 2.14 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 2.43 2.67 0.00 62 E 8.33 4.26 0.00 1.97 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 0.00 2.31 2.45 0.00 63 T 7.92 4.40 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 1.08 0.00 0.00 64 G 8.14 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 0.00 0.00 0.00 0.00 65 L 7.67 4.77 0.00 1.60 1.67 0.53 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 66 T 9.08 4.89 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 1.21 0.00 0.00 67 I 8.45 4.81 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.55 0.97 0.00 0.00 68 Q 9.14 4.60 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.32 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 69 N 8.76 4.15 0.00 2.81 2.86 0.00 0.00 7.07 7.69 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 70 P 0.00 4.63 0.00 1.99 1.97 0.00 3.79 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.84 0.00 71 Q 9.07 4.74 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.03 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 72 L 8.69 4.03 0.00 1.50 1.52 0.57 0.82 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 73 V 9.62 4.35 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 0.79 0.00 0.00 0.88 0.00 0.00 74 G 6.82 4.07 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 0.00 0.00 0.00 75 I 8.23 5.09 1.88 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 0.97 0.74 0.90 0.00 0.00 76 K 9.04 5.34 0.00 1.86 1.79 0.00 1.43 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.77 1.26 7.81 77 N 9.74 5.59 0.00 2.96 2.95 0.00 0.00 6.17 9.28 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 78 W 8.51 5.42 0.00 3.50 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.95 0.00 2.04 2.14 0.00 3.74 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 2.14 2.42 0.00 80 L 8.73 4.77 0.00 1.76 1.69 1.09 1.27 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 81 D 8.90 4.23 0.00 2.71 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 82 T 7.70 4.64 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 1.23 0.00 0.00 83 G 8.63 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 84 G 7.93 4.05 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 0.00 0.00 0.00 85 R 8.72 5.13 0.00 1.89 1.69 0.00 3.09 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.77 0.00 86 Y 8.59 4.32 0.00 2.43 1.43 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 87 I 8.13 4.87 1.86 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 1.06 0.60 0.81 0.00 0.00 88 V 8.95 4.84 2.20 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 1.42 0.00 0.00 1.18 0.00 0.00 89 I 8.92 4.17 1.86 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.14 0.45 0.00 0.00 90 C 8.82 5.15 0.00 2.89 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 91 Y 8.95 5.27 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 92 K 9.16 5.13 0.00 1.76 1.63 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.49 7.81 93 A 9.20 5.17 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 94 T 8.96 5.05 4.32 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 1.29 0.00 0.00 95 E 8.05 4.70 0.00 2.13 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 2.31 2.31 0.00 96 F 8.08 5.62 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 97 S 9.58 4.71 0.00 3.93 3.99 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 98 G 9.01 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.07 4.77 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 1.28 0.00 0.00 100 L 8.80 4.22 0.00 1.79 1.67 0.47 0.29 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 Q 8.72 4.53 0.00 1.99 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.72 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 102 S 8.75 4.57 0.00 3.77 3.87 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 0.00 103 S 8.22 4.73 0.00 3.83 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 0.00 104 E 9.00 3.96 0.00 1.93 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 2.29 2.34 0.00 105 E 8.13 4.23 0.00 2.03 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 2.33 2.25 0.00 106 G 7.23 4.41 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 0.00 107 E 8.17 4.37 0.00 1.92 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 2.39 2.27 0.00 108 V 8.40 5.10 1.91 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 0.71 0.00 0.00 0.82 0.00 0.00 109 S 8.58 4.62 0.00 3.92 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 0.00 110 W 8.75 5.01 0.00 3.23 3.15 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 0.00 0.00 0.00 0.00 111 V 8.85 4.49 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 1.01 0.00 0.00 0.86 0.00 0.00 112 Q 8.81 4.45 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.64 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 113 K 9.18 3.94 0.00 1.95 1.87 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.49 7.81 114 D 8.10 4.60 0.00 2.84 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 0.00 115 Q 8.23 4.46 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 116 I 7.72 3.66 1.99 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.81 0.89 0.00 0.00 117 P 0.00 4.35 0.00 2.03 2.11 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 118 N 7.90 4.60 0.00 2.82 2.84 0.00 0.00 7.00 7.37 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 0.00 119 L 7.42 4.25 0.00 1.66 1.50 0.50 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 120 N 8.68 4.77 0.00 2.98 2.96 0.00 0.00 6.78 6.74 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 0.00 121 L 8.35 5.06 0.00 1.56 1.59 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.77 5.09 1.43 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 0.00 123 Y 9.07 3.81 0.00 1.43 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 0.00 0.00 0.00 124 D 8.14 4.25 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.78 3.90 0.00 1.88 2.15 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.61 0.00 126 L 7.72 3.97 0.00 1.65 1.70 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.28 0.00 2.48 2.34 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.08 0.00 128 L 8.08 4.01 0.00 1.45 1.85 0.83 0.58 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 0.00 129 M 8.43 4.23 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.69 0.00 130 E 8.57 3.94 0.00 2.21 2.18 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 2.33 2.34 0.00 131 M 8.13 4.07 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.81 0.00 132 M 8.04 4.24 0.00 2.04 2.30 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.61 0.00 133 E 8.38 4.17 0.00 2.02 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 2.49 2.53 0.00 134 A 7.71 4.20 1.42 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 0.00 0.00 135 P 0.00 4.37 0.00 2.20 2.21 0.00 3.74 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 1.99 1.96 0.00 136 D 8.06 4.92 0.00 2.79 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 0.00 137 K 7.68 4.84 0.00 1.92 1.74 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.36 1.48 7.81 138 S 9.40 4.76 0.00 3.78 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 0.00 139 E 8.25 5.27 0.00 2.10 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 0.00 2.58 2.60 0.00 140 F 9.62 5.10 0.00 3.22 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 0.00 141 F 9.24 5.67 0.00 3.43 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 0.00 142 Y 8.26 4.99 0.00 2.91 2.48 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 0.00 143 P 0.00 3.91 0.00 2.03 2.28 0.00 3.91 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.32 0.00 144 R 6.84 3.54 0.00 1.72 1.66 0.00 2.21 0.00 0.00 2.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.74 0.00 145 R 8.52 4.03 0.00 1.84 1.96 0.00 3.11 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 146 T 7.29 4.69 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 1.18 0.00 0.00 147 E 8.72 3.89 0.00 2.07 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 0.00 2.25 2.23 0.00 148 D 7.75 4.63 0.00 2.81 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 0.00 149 D 7.57 4.37 0.00 2.54 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 W 8.24 4.40 0.00 3.05 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 0.00 151 E 8.17 4.39 0.00 2.12 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 2.32 2.31 0.00 152 K 8.54 4.88 0.00 0.79 1.59 0.00 1.19 0.00 0.00 1.67 0.00 0.00 2.70 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.07 0.89 7.81 153 K 8.75 4.39 0.00 1.68 0.92 0.00 1.93 0.00 0.00 1.93 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.22 1.40 7.81 154 I 7.81 4.67 1.67 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.69 0.90 0.00 0.00 155 F 8.95 4.57 0.00 2.98 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 * Residues marked with a * may have inaccurate shift predictions.