NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.2485 8.1731 120.6318 54.5209 43.0264 176.0968 5 G 3.7381 8.0311 109.5977 43.0027 0.0000 172.7152 6 T 3.7123 8.8883 108.9535 62.6299 69.8103 173.5574 7 E 4.4435 7.9837 121.3238 57.8078 30.2909 177.1802 8 N 4.6639 7.8473 118.1581 52.3553 39.5278 175.7243 9 L 3.9763 8.5824 123.7285 58.4712 42.0828 178.9380 10 Y 4.2799 8.1586 119.0208 60.6753 38.9367 176.9390 11 F 4.0211 9.3006 121.8823 61.5896 39.4053 177.1361 12 Q 3.4453 8.2068 117.5370 58.7705 28.5508 178.9957 13 S 4.1047 8.0206 115.2613 61.5171 63.0051 176.1938 14 N 4.2026 8.3470 120.2722 55.9413 38.2240 177.2323 15 A 3.8305 7.8911 122.4768 55.0266 18.3703 178.9448 16 Y 4.0384 8.0352 118.1331 61.1308 38.8737 178.7246 17 R 3.6972 7.9597 118.5821 58.9864 30.0816 179.0439 18 A 3.9549 8.0715 120.6366 55.0001 18.4019 179.6127 19 L 3.9026 8.2051 117.9643 57.8842 41.5037 179.5101 20 F 3.8378 8.0363 119.4665 61.1845 39.3476 176.4706 21 E 3.9730 8.0963 117.5206 59.3534 29.6094 177.7925 22 H 4.6132 7.9850 113.0013 55.3574 29.7208 175.7076 23 A 4.1252 7.2346 124.2041 52.3362 18.8032 177.7552 24 I 3.9605 8.2383 122.2095 64.0646 37.7444 176.8839 25 D 4.5905 7.8566 118.5279 53.9047 41.6112 176.8925 26 G 3.8858 9.0190 109.2552 46.4778 0.0000 172.7314 27 I 5.4093 8.9259 123.4715 59.3234 41.5209 174.4609 28 F 5.6433 9.1900 120.4083 55.6712 42.1432 173.0741 29 I 5.4907 9.2756 120.0438 58.4996 41.5669 174.1362 *31 D 4.5125 8.3454 121.5227 52.9573 40.1251 176.2232 32 A 3.8616 8.3559 120.9753 54.7172 18.3130 178.1232 33 E 4.1439 8.2055 113.3822 56.4074 29.9936 177.1215 34 G 3.7431 8.3110 108.3349 45.5326 0.0000 172.7616 35 H 4.8847 8.1275 117.4364 54.9023 29.0415 174.9531 36 Y 4.3850 8.7344 122.8261 58.6606 38.0809 176.7574 37 L 4.6679 9.3677 124.0760 55.9170 43.9705 176.4157 38 D 4.9613 8.0093 116.1081 53.2152 44.8395 174.5772 39 V 5.0981 8.4261 116.4315 59.8945 35.9979 174.5716 40 N 4.2957 8.3082 122.1510 51.0181 39.2028 174.3148 41 P 4.1842 0.0000 0.0000 65.7756 31.2024 178.5825 42 A 3.9388 7.8384 118.8029 55.4155 18.3178 179.4340 43 I 3.7056 7.8165 116.4238 64.1618 38.1338 177.7523 44 C 4.6185 8.2848 119.1814 62.3718 27.7732 176.1788 45 S 4.2080 8.2029 114.7044 61.0511 62.8014 176.1409 46 A 4.1153 8.0956 123.8504 55.1059 18.5683 179.2274 47 I 4.1155 8.0915 117.6029 61.9219 37.2446 177.9091 48 G 3.8102 8.2990 107.1702 45.2002 0.0000 172.3987 49 Y 4.7774 7.6311 117.2358 55.9341 40.1108 175.7335 50 T 4.2574 8.7481 114.7582 61.2236 70.9887 175.7124 51 R 4.0319 8.6340 121.2701 60.0601 29.8424 178.3184 52 D 4.4448 8.1333 116.6965 57.3874 41.2715 178.1786 53 E 4.1602 8.4320 119.2005 59.3800 29.4423 179.1142 54 F 3.7706 8.7398 121.1346 61.1053 39.2875 176.5788 55 L 4.6759 8.5006 116.9706 55.4085 41.5316 177.7942 56 A 4.5963 7.7326 119.6650 51.0439 19.9291 176.5037 57 L 4.6793 7.5445 118.6223 53.2609 43.9901 175.2870 58 D 5.4262 8.3082 120.2132 51.7530 43.3600 175.7247 59 W 4.7702 8.8534 132.5068 59.4863 31.0615 175.7144 60 G 4.2164 9.0431 113.2576 46.0404 0.0000 176.0445 61 V 3.5272 8.2219 119.7528 66.0082 31.9325 178.0497 62 L 4.0082 8.1156 119.6018 57.3226 41.5363 178.6701 63 S 5.0856 7.8278 108.9943 56.3339 63.3827 173.9007 64 R 3.6313 7.5541 118.1859 58.2491 27.8636 176.8162 65 G 4.1490 8.2827 102.4212 45.4957 0.0000 176.0560 66 V 3.6415 7.8405 120.8252 65.8996 31.8584 178.1730 67 D 4.4364 8.0847 118.1723 57.2448 40.7904 178.0458 68 S 4.1759 8.0083 112.2277 59.4068 63.4280 175.2929 69 G 3.9910 8.3850 109.7908 45.4500 0.0000 174.9079 70 W 4.2125 8.5750 130.0198 60.5784 30.5840 177.5151 71 A 3.5123 8.6962 120.4670 55.0750 17.9268 179.3943 72 A 3.9233 8.0060 118.4083 55.3623 18.4766 179.6033 73 A 3.9451 8.0911 119.4908 55.0486 18.5328 179.9681 74 S 3.8773 7.9859 113.2495 61.3332 62.8515 176.3616 75 L 3.6081 7.8772 123.8467 57.8179 41.8385 178.8404 76 A 3.9312 7.9417 120.4935 54.9954 18.3401 179.5237 77 R 3.7891 8.1212 117.3233 59.6224 30.0975 178.8542 78 I 4.1969 7.5857 120.7321 64.1745 36.9336 179.0219 79 V 3.6617 7.8891 112.0191 63.8658 31.4043 178.3525 80 G 3.7762 7.9153 104.2171 45.6790 0.0000 174.3301 81 G 4.0705 8.0287 109.6285 45.0050 0.0000 172.7877 82 E 4.8206 7.9453 119.0157 53.4211 31.7761 174.1516 83 P 4.7137 0.0000 0.0000 62.8190 32.7103 175.0719 84 L 4.7384 8.5806 123.6083 53.7702 44.4267 175.5613 85 R 5.1183 8.4498 125.6509 55.5422 32.7447 173.4970 86 E 4.8009 9.4525 127.0445 55.0516 33.8130 173.2306 87 E 4.9462 8.8259 127.8390 55.5721 30.6533 175.4551 88 R 4.6502 9.0754 125.4051 54.4819 34.6922 174.5668 89 T 4.2599 8.2493 118.9803 63.4030 69.8289 173.6642 90 V 4.6266 8.5372 126.2576 60.8480 34.8678 173.9798 91 W 5.1647 9.0930 127.1149 55.2225 30.8209 176.6795 92 T 4.4108 9.0756 115.2722 60.6313 69.4874 175.4843 93 R 3.5172 7.8242 121.3524 58.7055 29.7538 177.2707 94 N 4.3818 7.8212 112.6181 54.2590 38.8713 175.7796 95 G 4.1533 8.0939 106.5997 45.1995 0.0000 173.6110 96 D 4.6368 8.0160 119.6852 53.7518 41.6369 174.9039 97 Q 4.6150 8.1757 118.8965 54.3003 30.6887 174.7401 98 L 4.7317 8.6596 122.0663 53.1905 45.6480 175.3026 99 T 4.7387 8.1687 118.0267 62.2114 70.5751 173.7841 100 V 4.7148 8.5690 126.4642 60.8713 34.8606 173.9191 101 E 4.7366 9.5168 129.9129 55.8690 30.5005 174.9309 102 L 5.4262 9.3307 128.5921 53.5120 43.9637 176.0772 103 S 5.8381 9.5608 116.8439 55.6983 66.8015 172.7595 104 A 5.0799 8.2093 121.6957 51.0015 22.9352 174.7000 105 H 4.9622 9.0671 117.5662 53.6668 33.3612 172.9013 106 L 4.3580 8.6397 125.4388 55.3511 42.6570 176.1596 107 L 4.7021 8.9992 126.1784 52.4367 43.5920 176.0724 108 P 4.1584 0.0000 0.0000 65.5364 31.2843 176.7998 109 D 4.5773 8.0296 116.5339 52.9656 39.4790 177.1446 110 G 3.8792 8.2674 110.0052 45.3976 0.0000 174.0913 111 K 4.3126 7.8372 119.0237 56.3061 33.9162 175.7980 112 I 4.8346 7.9225 120.3674 59.5862 41.1108 174.3716 113 L 4.7140 8.9402 129.3088 53.5520 43.7297 175.4151 114 G 3.4599 8.5649 112.8756 43.9858 0.0000 171.4706 115 I 5.2583 8.8021 121.6541 59.1294 41.3707 174.4332 116 A 5.2080 9.2883 127.8249 50.4103 22.0635 174.8884 117 R 4.7552 8.9715 122.5291 54.4526 32.7000 175.2354 118 D 4.8997 8.8263 124.7300 54.2630 41.8504 176.3033 119 V 4.1255 8.5650 119.3675 61.5086 31.9751 175.7378 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 4 L 8.17 4.25 0.00 1.70 1.72 0.95 0.69 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 5 G 8.03 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.89 3.71 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 0.71 0.00 0.00 7 E 7.98 4.44 0.00 1.99 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 2.32 2.38 0.00 8 N 7.85 4.66 0.00 3.07 3.02 0.00 0.00 6.45 6.47 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 9 L 8.58 3.98 0.00 1.82 1.77 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.16 4.28 0.00 3.04 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 11 F 9.30 4.02 0.00 3.13 3.25 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 12 Q 8.21 3.45 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.74 0.00 13 S 8.02 4.10 0.00 4.09 4.13 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 14 N 8.35 4.20 0.00 2.66 2.73 0.00 0.00 6.92 7.27 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 15 A 7.89 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.04 4.04 0.00 2.98 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 17 R 7.96 3.70 0.00 1.85 1.91 0.00 3.10 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.80 0.00 18 A 8.07 3.95 1.38 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 0.00 0.00 19 L 8.21 3.90 0.00 1.81 1.72 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.04 3.84 0.00 2.25 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 21 E 8.10 3.97 0.00 1.92 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 2.08 2.03 0.00 22 H 7.98 4.61 0.00 3.26 3.28 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.23 4.13 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 24 I 8.24 3.96 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.85 0.91 0.00 0.00 25 D 7.86 4.59 0.00 2.56 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 26 G 9.02 3.89 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 0.00 0.00 0.00 27 I 8.93 5.41 1.53 0.00 0.00 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 1.28 1.04 1.17 0.00 0.00 28 F 9.19 5.64 0.00 3.38 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 29 I 9.28 5.49 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 2.05 0.93 0.00 0.00 *31 D 8.35 4.51 0.00 2.91 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 32 A 8.36 3.86 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 33 E 8.21 4.14 0.00 1.96 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 2.27 2.32 0.00 34 G 8.31 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.13 4.88 0.00 3.43 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 8.73 4.39 0.00 3.24 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 37 L 9.37 4.67 0.00 1.53 1.75 0.93 1.00 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 38 D 8.01 4.96 0.00 2.72 2.55 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 39 V 8.43 5.10 1.53 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 -0.05 0.00 0.00 0.84 0.00 0.00 40 N 8.31 4.30 0.00 1.99 1.42 0.00 0.00 6.83 7.77 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 41 P 0.00 4.18 0.00 2.11 2.13 0.00 3.38 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 2.17 2.15 0.00 42 A 7.84 3.94 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 43 I 7.82 3.71 1.94 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 1.71 1.39 0.71 0.00 0.00 44 C 8.28 4.62 0.00 3.26 3.14 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 0.00 0.00 0.00 45 S 8.20 4.21 0.00 4.02 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 46 A 8.10 4.12 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 47 I 8.09 4.12 2.22 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 1.08 0.00 0.00 48 G 8.30 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 49 Y 7.63 4.78 0.00 2.64 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 50 T 8.75 4.26 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 1.29 0.00 0.00 51 R 8.63 4.03 0.00 1.99 2.06 0.00 3.29 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 52 D 8.13 4.44 0.00 2.75 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 53 E 8.43 4.16 0.00 2.42 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 2.41 2.39 0.00 54 F 8.74 3.77 0.00 3.32 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 55 L 8.50 4.68 0.00 1.74 1.80 1.15 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.73 4.60 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 57 L 7.54 4.68 0.00 1.87 1.59 -0.29 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.31 5.43 0.00 2.86 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 59 W 8.85 4.77 0.00 3.14 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 60 G 9.04 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 61 V 8.22 3.53 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 0.89 0.00 0.00 1.01 0.00 0.00 62 L 8.12 4.01 0.00 1.74 1.73 0.79 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.83 5.09 0.00 3.73 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 64 R 7.55 3.63 0.00 1.72 1.74 0.00 2.21 0.00 0.00 2.44 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.16 0.00 65 G 8.28 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 66 V 7.84 3.64 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 1.02 0.00 0.00 1.00 0.00 0.00 67 D 8.08 4.44 0.00 2.70 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 68 S 8.01 4.18 0.00 4.06 4.04 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 69 G 8.39 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 0.00 0.00 0.00 70 W 8.57 4.21 0.00 3.44 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.70 3.51 1.52 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 0.00 0.00 72 A 8.01 3.92 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 73 A 8.09 3.95 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 74 S 7.99 3.88 0.00 3.81 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 75 L 7.88 3.61 0.00 1.84 1.82 0.47 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.94 3.93 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 77 R 8.12 3.79 0.00 1.85 2.02 0.00 3.11 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 78 I 7.59 4.20 1.79 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.65 0.73 0.00 0.00 79 V 7.89 3.66 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 0.64 0.00 0.00 0.92 0.00 0.00 80 G 7.92 3.78 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 0.00 0.00 0.00 81 G 8.03 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 82 E 7.95 4.82 0.00 2.05 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 2.23 2.21 0.00 83 P 0.00 4.71 0.00 2.05 2.09 0.00 3.74 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 2.00 1.99 0.00 84 L 8.58 4.74 0.00 1.76 1.60 1.20 1.48 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 85 R 8.45 5.12 0.00 1.86 1.81 0.00 3.36 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 86 E 9.45 4.80 0.00 2.23 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 2.29 2.36 0.00 87 E 8.83 4.95 0.00 2.04 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 2.22 2.33 0.00 88 R 9.08 4.65 0.00 1.57 1.47 0.00 2.56 0.00 0.00 2.59 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.49 0.00 89 T 8.25 4.26 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 0.10 0.00 0.00 90 V 8.54 4.63 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 0.93 0.00 0.00 0.88 0.00 0.00 91 W 9.09 5.16 0.00 3.31 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 92 T 9.08 4.41 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 1.24 0.00 0.00 93 R 7.82 3.52 0.00 0.67 1.51 0.00 2.62 0.00 0.00 2.81 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.10 0.00 94 N 7.82 4.38 0.00 2.70 2.82 0.00 0.00 7.19 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 95 G 8.09 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 96 D 8.02 4.64 0.00 2.67 2.53 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 97 Q 8.18 4.62 0.00 0.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.76 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 98 L 8.66 4.73 0.00 1.42 1.48 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.17 4.74 4.33 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 1.18 0.00 0.00 100 V 8.57 4.71 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 1.06 0.00 0.00 0.92 0.00 0.00 101 E 9.52 4.74 0.00 2.08 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 2.37 2.34 0.00 102 L 9.33 5.43 0.00 1.97 1.97 1.11 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 103 S 9.56 5.84 0.00 3.95 3.98 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 0.00 104 A 8.21 5.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 H 9.07 4.96 0.00 3.03 3.11 0.00 5.82 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 0.00 106 L 8.64 4.36 0.00 1.73 1.52 0.91 0.97 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 0.00 107 L 9.00 4.70 0.00 1.63 1.46 0.80 0.80 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 0.00 108 P 0.00 4.16 0.00 2.13 2.15 0.00 3.68 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 1.93 1.91 0.00 109 D 8.03 4.58 0.00 2.76 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 0.00 110 G 8.27 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 0.00 111 K 7.84 4.31 0.00 1.78 1.70 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.37 7.81 112 I 7.92 4.83 1.64 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.30 0.67 0.00 0.00 113 L 8.94 4.71 0.00 1.66 1.45 0.98 0.74 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 0.00 114 G 8.56 3.46 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 0.00 0.00 0.00 0.00 115 I 8.80 5.26 1.92 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 1.16 0.67 1.02 0.00 0.00 116 A 9.29 5.21 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.97 4.76 0.00 1.78 1.87 0.00 3.25 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.60 0.00 118 D 8.83 4.90 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 0.00 119 V 8.56 4.13 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 0.77 0.00 0.00 1.02 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.