NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7048 8.1633 120.2724 55.2350 34.1957 173.9218 2 K 4.6765 8.9493 120.3549 53.7412 36.8782 173.7860 3 L 4.7807 9.0334 126.9465 53.6553 43.9859 175.1913 4 V 4.3258 8.8556 128.8543 62.2218 32.8159 174.1600 5 M 5.1958 9.1392 128.7587 53.7311 34.7087 174.2778 6 A 5.0487 9.1741 127.4821 50.1658 23.0251 174.5524 7 I 4.8866 8.5661 123.3372 59.6917 39.1952 175.0288 8 I 4.9802 8.5634 120.3319 58.3339 41.6622 175.0967 9 K 4.2109 8.1502 121.6919 55.5227 32.5629 176.7397 10 P 4.1652 0.0000 0.0000 65.6459 31.3847 178.0396 11 F 4.5639 7.8208 110.1385 57.9936 38.2529 176.2376 12 K 4.3044 7.5744 121.1885 56.5597 32.0733 177.8948 13 L 3.9157 7.5588 122.1838 58.3282 41.9777 178.4925 14 D 4.3515 8.0631 118.2733 57.4177 40.7230 178.3240 15 E 3.9324 8.0990 119.3429 59.1064 29.7592 178.7839 16 V 3.5397 7.9085 118.4188 65.8368 31.4962 177.9467 17 R 3.8400 8.2737 118.7942 59.5480 29.9126 178.1533 18 E 3.9768 8.6684 120.2953 58.5784 29.6721 178.5230 19 A 3.9761 8.3047 121.1949 55.1386 18.4465 179.7090 20 L 3.9620 7.9691 117.7135 58.1723 41.6071 179.8643 21 T 4.1144 8.2229 110.0757 64.9243 68.5197 176.9165 22 S 4.2377 8.1541 117.4134 61.1160 62.8782 176.0419 23 L 4.1603 7.5190 122.1160 56.7753 41.8573 177.1016 24 G 4.0101 7.3327 105.3288 45.1148 0.0000 174.0594 25 I 3.9271 7.8171 121.4638 61.5240 37.4506 176.0402 26 Q 4.6591 8.1241 122.9707 55.0979 29.7300 175.4778 27 G 4.0376 7.8097 102.8474 45.2556 0.0000 173.3368 28 L 4.4721 8.1070 120.6599 54.1968 45.1789 173.9535 29 T 4.7846 8.7574 121.9867 61.8703 71.9487 173.4224 30 V 5.0796 8.3676 117.5201 59.8649 35.6475 175.0615 31 S 4.7637 8.9687 118.6173 56.8602 67.5792 172.8299 32 E 4.6544 8.7203 122.1358 55.9207 30.5019 176.0367 33 V 4.6123 8.5796 116.4499 59.8478 36.8614 173.9711 34 K 5.1385 8.1071 119.4757 55.2276 36.2499 175.6251 35 G 4.3176 8.7687 107.8235 46.3926 0.0000 171.9661 36 F 5.3700 8.3098 113.9486 55.1709 41.0300 174.9802 37 G 4.3497 8.6304 108.4312 45.2046 0.0000 175.7213 38 R 4.0194 8.8821 119.6705 59.0809 30.4959 177.3358 39 Q 4.2979 8.1596 114.6862 55.0811 29.2751 175.8503 40 K 3.2982 8.9620 117.3277 57.4160 29.9790 177.1067 41 G 4.0382 8.7035 106.5793 47.2409 0.0000 174.4582 42 Q 4.4980 7.6701 120.2238 53.9182 29.4225 181.4925 43 T 3.9482 8.4266 112.6246 61.7877 68.4978 172.4050 *53 V 3.8104 7.4459 120.1218 63.7024 32.1234 174.4716 54 S 4.7469 7.9170 121.0727 56.7120 67.0275 172.8782 55 F 5.1977 8.7366 120.4781 56.5130 40.5503 175.2771 56 L 4.9953 8.9498 122.1947 52.1224 45.1488 174.3098 57 P 4.9443 0.0000 0.0000 62.9134 32.1834 175.6714 58 K 4.7919 9.1736 122.2249 55.0336 37.5984 174.8682 59 V 4.7556 8.5453 120.7154 61.1074 34.2774 174.0359 60 K 4.8011 8.9840 129.7061 55.2991 33.6769 175.0259 61 V 4.7542 8.9610 128.1379 61.2978 34.1130 174.2031 62 E 5.1592 9.3643 126.6763 54.6113 33.3302 174.7501 63 V 4.7071 8.9302 124.2613 60.9546 34.6325 173.9152 64 A 5.0025 8.6926 130.0676 51.2794 19.7126 176.5265 65 V 4.7860 8.8415 115.4892 59.6090 37.0166 175.4070 66 S 4.7760 9.0370 117.4409 57.3052 64.0600 175.1815 67 D 4.5314 8.6274 120.7494 56.3139 39.1146 176.9545 68 D 4.7122 8.1013 116.7615 53.6045 40.0546 176.2586 69 Q 5.1168 8.4177 116.4906 54.4958 30.1839 176.9819 70 Y 4.2183 8.0972 118.1684 60.2351 38.0785 177.6929 71 E 3.4745 7.3040 119.9646 59.0952 29.6752 179.0830 72 Q 3.9542 7.8239 117.6771 58.7752 28.8164 178.8465 73 V 3.5700 7.6654 119.3180 65.8898 31.5647 178.1826 74 V 3.5773 8.0862 118.4249 66.1190 31.3989 177.6081 75 E 3.8673 8.2130 118.7346 59.1680 29.4606 178.6457 76 A 4.0015 8.1348 120.8985 55.1490 18.3603 179.7494 77 I 3.6541 7.8977 118.4061 64.3718 37.1627 178.3153 78 Q 3.9069 8.2005 120.5367 59.3096 28.6561 178.7643 79 K 4.0795 7.9055 117.8372 59.3857 32.1875 179.0525 80 A 4.2578 8.0168 119.9297 54.4119 18.4098 178.6601 81 A 4.2566 7.9400 117.2495 51.8624 19.8495 177.1304 82 N 4.6923 7.1270 115.1921 53.5143 39.5853 174.7444 83 T 4.5254 9.2866 112.3298 60.4509 70.2465 175.0577 84 G 3.9508 8.3046 110.0474 45.3373 0.0000 173.3387 85 R 4.6915 7.5988 118.5408 53.5360 32.4594 175.8201 86 I 3.7842 8.0970 113.9873 62.8401 37.7445 176.3941 87 G 4.0189 8.8945 110.6086 45.3180 0.0000 173.9711 88 D 4.2834 7.3930 118.9195 56.6502 41.0347 175.2131 89 G 4.2465 7.2644 101.8680 44.4654 0.0000 172.4862 90 K 4.4904 8.2105 116.6789 54.5089 36.6471 175.6033 91 I 4.6180 7.9142 123.2583 59.4480 39.6327 174.8445 92 F 5.0815 9.2764 125.8995 55.6433 41.9684 174.3057 93 V 4.6901 8.6536 123.5752 61.3784 32.8623 174.7866 94 L 4.8227 8.8759 127.7510 53.1014 45.0505 175.0956 95 D 5.0767 8.4590 120.0887 53.5010 42.3873 176.0481 96 I 4.3757 8.1895 123.4235 59.6791 38.2444 175.9118 97 A 4.1401 8.7954 130.6028 54.8732 18.8307 176.8692 98 Q 4.9289 7.5282 113.2707 55.1561 32.3206 173.6941 99 A 4.8450 9.0630 124.6032 50.5080 23.2468 175.3147 100 V 4.8157 8.0797 118.7608 61.3090 35.0002 174.3568 101 R 4.1909 8.9666 129.0782 55.6400 30.3539 177.0951 102 I 3.6898 8.5902 128.2078 64.4814 37.4735 177.6267 103 R 4.0478 8.0919 119.4246 58.5612 30.0890 176.8484 104 T 4.3135 7.8501 105.4472 60.5998 70.4080 175.3657 105 G 3.9288 8.4243 109.5424 45.3712 0.0000 173.6446 106 E 4.1247 7.9521 120.0097 56.4172 30.1173 176.1948 107 T 5.1393 8.0048 111.1169 60.4837 73.0680 176.4799 108 N 4.0286 8.6579 121.4953 54.6057 38.7606 178.9553 109 T 3.9118 8.5431 118.5029 65.3616 68.7508 175.9337 110 E 4.1017 7.8575 120.8095 58.4541 29.6166 177.6898 111 A 4.2496 7.8626 120.8146 53.5668 19.1918 177.2917 112 L 4.1922 7.3317 119.1453 55.0924 41.6446 176.7876 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 8.16 4.70 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 2 K 8.95 4.68 0.00 1.50 1.44 0.00 1.42 0.00 0.00 1.52 0.00 0.00 2.13 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.03 0.58 7.81 3 L 9.03 4.78 0.00 1.70 1.54 0.92 0.85 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 4 V 8.86 4.33 2.12 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 0.98 0.00 0.00 1.03 0.00 0.00 5 M 9.14 5.20 0.00 2.27 1.93 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.77 0.00 6 A 9.17 5.05 1.13 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 0.00 0.00 7 I 8.57 4.89 1.83 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 1.30 1.30 0.91 0.00 0.00 8 I 8.56 4.98 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.67 0.83 0.00 0.00 9 K 8.15 4.21 0.00 1.14 1.06 0.00 1.58 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.46 1.45 7.81 10 P 0.00 4.17 0.00 2.23 2.12 0.00 3.59 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 2.15 2.08 0.00 11 F 7.82 4.56 0.00 3.10 3.19 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 12 K 7.57 4.30 0.00 1.66 1.72 0.00 1.79 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.74 1.46 7.81 13 L 7.56 3.92 0.00 1.69 1.66 0.90 1.69 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 14 D 8.06 4.35 0.00 2.75 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 15 E 8.10 3.93 0.00 2.06 1.95 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 2.38 2.37 0.00 16 V 7.91 3.54 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 0.91 0.00 0.00 0.94 0.00 0.00 17 R 8.27 3.84 0.00 1.98 2.07 0.00 3.31 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 18 E 8.67 3.98 0.00 2.17 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 2.31 2.33 0.00 19 A 8.30 3.98 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 20 L 7.97 3.96 0.00 1.86 1.72 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.22 4.11 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 22 S 8.15 4.24 0.00 3.94 3.97 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 23 L 7.52 4.16 0.00 1.77 1.94 0.91 1.15 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 24 G 7.33 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 0.00 0.00 0.00 25 I 7.82 3.93 1.90 0.00 0.00 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 1.39 0.85 0.96 0.00 0.00 26 Q 8.12 4.66 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.53 0.00 27 G 7.81 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 0.00 0.00 0.00 28 L 8.11 4.47 0.00 1.60 1.49 0.98 0.87 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 29 T 8.76 4.78 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 30 V 8.37 5.08 2.07 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 0.71 0.00 0.00 0.93 0.00 0.00 31 S 8.97 4.76 0.00 3.70 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 32 E 8.72 4.65 0.00 1.84 1.87 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 2.28 2.33 0.00 33 V 8.58 4.61 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 0.71 0.00 0.00 0.93 0.00 0.00 34 K 8.11 5.14 0.00 1.38 1.74 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.36 7.81 35 G 8.77 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 0.00 0.00 0.00 0.00 36 F 8.31 5.37 0.00 2.98 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 37 G 8.63 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 38 R 8.88 4.02 0.00 1.85 2.05 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 39 Q 8.16 4.30 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.41 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 40 K 8.96 3.30 0.00 1.94 1.52 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.24 7.81 41 G 8.70 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 0.00 0.00 0.00 42 Q 7.67 4.50 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 43 T 8.43 3.95 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 *53 V 7.45 3.81 1.71 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 -0.15 0.00 0.00 0.58 0.00 0.00 54 S 7.92 4.75 0.00 3.70 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 55 F 8.74 5.20 0.00 3.03 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 56 L 8.95 5.00 0.00 1.65 1.60 0.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.94 0.00 1.97 2.02 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 58 K 9.17 4.79 0.00 1.60 1.77 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.54 7.81 59 V 8.55 4.76 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 1.06 0.00 0.00 0.91 0.00 0.00 60 K 8.98 4.80 0.00 1.86 1.66 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.39 7.81 61 V 8.96 4.75 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 0.95 0.00 0.00 0.90 0.00 0.00 62 E 9.36 5.16 0.00 1.87 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 63 V 8.93 4.71 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 0.94 0.00 0.00 64 A 8.69 5.00 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 65 V 8.84 4.79 2.23 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 0.80 0.00 0.00 1.09 0.00 0.00 66 S 9.04 4.78 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 67 D 8.63 4.53 0.00 2.88 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 68 D 8.10 4.71 0.00 2.82 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 69 Q 8.42 5.12 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.26 0.00 70 Y 8.10 4.22 0.00 3.26 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 71 E 7.30 3.47 0.00 1.72 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 1.65 1.47 0.00 72 Q 7.82 3.95 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 73 V 7.67 3.57 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 1.02 0.00 0.00 1.00 0.00 0.00 74 V 8.09 3.58 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 1.01 0.00 0.00 1.11 0.00 0.00 75 E 8.21 3.87 0.00 2.04 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 2.28 2.30 0.00 76 A 8.13 4.00 1.37 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 77 I 7.90 3.65 1.97 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 1.39 0.73 0.87 0.00 0.00 78 Q 8.20 3.91 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 79 K 7.91 4.08 0.00 2.03 1.84 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.47 1.32 7.81 80 A 8.02 4.26 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 81 A 7.94 4.26 1.26 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 82 N 7.13 4.69 0.00 2.85 2.73 0.00 0.00 6.91 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 9.29 4.53 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 1.40 0.00 0.00 84 G 8.30 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 85 R 7.60 4.69 0.00 2.00 1.86 0.00 3.26 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.40 0.00 86 I 8.10 3.78 1.90 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 1.37 0.55 0.93 0.00 0.00 87 G 8.89 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 88 D 7.39 4.28 0.00 2.76 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 89 G 7.26 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 0.00 0.00 0.00 0.00 90 K 8.21 4.49 0.00 1.15 0.74 0.00 1.56 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.39 7.81 91 I 7.91 4.62 1.76 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 1.24 0.47 0.89 0.00 0.00 92 F 9.28 5.08 0.00 2.91 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 93 V 8.65 4.69 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 0.61 0.00 0.00 1.06 0.00 0.00 94 L 8.88 4.82 0.00 1.58 1.50 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.46 5.08 0.00 2.51 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 96 I 8.19 4.38 1.85 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 1.14 0.60 0.93 0.00 0.00 97 A 8.80 4.14 1.26 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 98 Q 7.53 4.93 0.00 2.28 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.24 1.94 0.00 99 A 9.06 4.84 1.20 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 0.00 100 V 8.08 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 0.79 0.00 0.00 0.93 0.00 0.00 101 R 8.97 4.19 0.00 1.93 1.79 0.00 3.32 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 102 I 8.59 3.69 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 1.30 0.65 0.91 0.00 0.00 103 R 8.09 4.05 0.00 1.77 1.95 0.00 3.19 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 104 T 7.85 4.31 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 0.00 105 G 8.42 3.93 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 0.00 0.00 0.00 106 E 7.95 4.12 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 2.33 2.25 0.00 107 T 8.00 5.14 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 1.24 0.00 0.00 108 N 8.66 4.03 0.00 2.85 2.04 0.00 0.00 7.06 7.08 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 0.00 109 T 8.54 3.91 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 0.00 110 E 7.86 4.10 0.00 2.12 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 2.34 2.26 0.00 111 A 7.86 4.25 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 0.00 112 L 7.33 4.19 0.00 1.74 1.60 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.