NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 P 4.5296 0.0000 0.0000 62.0053 34.1553 174.8585 12 L 5.0956 7.6935 122.7213 51.7485 44.3706 173.8103 13 M 4.9534 9.3056 123.6890 53.4059 35.3553 173.8403 14 V 4.8298 8.4607 120.9169 60.9627 34.7146 173.9798 15 K 4.9883 9.0669 128.6966 54.5570 35.3769 174.7307 16 V 4.8144 8.9030 126.6542 61.0754 34.7233 174.0963 17 L 5.1292 8.8534 126.8503 52.9240 45.8528 174.9183 18 D 5.1379 9.0403 122.0213 52.8000 42.1979 176.7170 19 A 4.2708 9.3008 128.8731 53.9256 18.5129 178.7495 20 V 3.8251 8.6625 115.4678 65.3621 31.7847 177.1711 21 R 4.3212 8.4465 115.8187 55.4198 31.2487 175.8858 22 G 3.9045 8.2798 105.8709 46.1869 0.0000 172.8276 23 S 4.7842 7.4229 111.3598 55.4901 67.4313 172.5501 24 P 4.6358 0.0000 0.0000 63.2458 31.7172 176.0807 25 A 4.3759 8.7192 125.7032 50.9392 19.6678 176.3594 26 I 4.2209 8.4113 122.8124 61.1780 39.0076 175.4510 27 N 4.1888 8.5462 122.3263 54.6429 37.9140 173.8979 28 V 4.0844 7.8139 116.8266 61.4620 32.8717 175.0124 29 A 4.6224 8.5863 129.8433 51.9874 20.0704 176.1530 30 V 4.8199 8.8415 120.8195 61.5095 35.3321 173.8256 31 H 5.0698 9.3665 124.6035 53.8406 32.2365 172.6697 32 V 4.8806 8.7874 122.7547 61.1561 34.1116 174.3669 33 F 5.5690 9.5065 125.4089 55.7284 43.3775 173.8232 34 R 4.7654 9.2069 120.8737 54.1171 33.1342 174.4029 35 K 3.8133 8.7701 128.4560 56.5950 32.1165 176.2656 36 A 3.9296 8.8623 132.0163 54.9050 19.0258 177.7841 *39 D 4.3015 7.8059 111.6989 53.7661 43.1408 174.7638 40 T 4.1060 7.4686 112.0266 61.7748 69.3083 173.7116 41 W 4.9999 8.4636 126.1877 55.9552 29.5422 175.5805 42 E 4.6432 9.2628 126.1202 54.5206 30.6240 174.6979 43 P 4.3739 0.0000 0.0000 63.5346 31.4533 175.2098 44 F 4.8103 8.8077 125.6425 59.4107 41.6417 174.7437 45 A 4.4789 7.6570 117.0606 51.6453 22.2389 174.8435 46 S 4.6793 7.8481 112.8079 57.5408 66.3382 173.4143 47 G 4.0705 7.8658 105.7789 46.2206 0.0000 172.0349 48 K 5.3319 8.4996 117.8219 54.8707 35.9508 176.4965 49 T 4.3025 8.6138 112.5867 62.0045 70.3127 174.9732 50 S 4.7460 8.7224 118.7550 57.2815 65.3568 174.4095 51 E 3.9443 8.6826 118.7813 59.3652 29.1469 178.0479 52 S 4.3097 7.8931 111.4807 58.1812 63.6521 175.1735 53 G 3.8823 8.4841 110.4127 45.0128 0.0000 172.6311 54 E 5.1504 7.6611 118.3575 54.2573 33.1879 174.9460 55 L 4.9006 8.7911 123.6433 53.9291 45.0050 175.1048 56 H 4.9153 8.8804 122.4952 54.4401 32.2464 174.1274 57 G 3.8885 8.7713 105.7460 46.4635 0.0000 175.0661 58 L 3.9852 7.8628 121.6289 57.4213 41.7536 176.4489 59 T 4.6096 7.2677 110.1904 61.4631 71.5666 173.5366 60 T 4.5293 7.7927 112.4661 62.0662 68.6140 175.5328 *62 E 4.3035 9.0666 116.5157 56.1919 30.9866 176.2267 63 E 4.2652 8.1074 117.5228 58.3983 30.2368 176.8880 64 F 5.0561 8.2721 122.4928 57.2207 37.6112 174.6435 65 V 4.0853 7.5969 117.8935 59.5250 32.9530 175.7681 66 E 4.6930 8.0477 119.6580 55.9988 30.5090 177.3297 67 G 3.6740 7.9819 109.5069 46.5885 0.0000 170.6616 68 I 4.8095 7.1474 120.2534 59.9543 38.9648 174.9624 69 Y 5.1038 8.6799 124.8235 55.8858 41.5196 174.5769 70 K 4.8608 9.1294 123.4057 54.6036 35.3960 174.8277 71 V 4.7100 9.2299 128.1409 61.4530 33.3242 173.7020 72 E 4.9096 9.4765 130.5827 54.6803 31.6182 174.3864 73 I 4.5890 8.7387 128.4073 59.4777 39.2154 175.5969 74 D 5.0114 8.8754 129.5674 53.4784 37.7610 176.6346 75 T 3.9532 7.7307 114.5687 64.0973 69.3626 176.6763 76 K 4.1705 8.0919 122.1798 59.6301 32.3542 178.8464 77 S 4.1644 8.4563 115.5240 61.4835 62.4529 175.8567 78 Y 3.9242 7.4532 120.5129 60.6848 38.7906 178.1686 79 W 4.3712 8.1670 119.5781 59.7617 29.1813 178.7325 80 K 4.4560 8.9027 119.9814 58.9049 31.2795 179.0375 81 A 4.1266 7.8832 119.5624 53.8228 18.2948 178.4710 82 L 4.4913 7.6792 116.1940 54.1606 42.0771 177.3579 83 G 3.9776 8.2090 107.2548 45.3006 0.0000 173.5206 84 I 4.3956 7.5646 120.2975 59.5062 39.0779 175.1070 85 S 4.6832 8.4866 121.4638 56.4592 62.1562 172.2445 86 P 4.4781 0.0000 0.0000 61.1616 32.8407 176.7562 87 F 3.7137 8.1051 120.8488 61.1701 39.2133 175.4073 88 H 4.5640 7.8076 115.8005 54.8016 29.6881 175.4109 89 E 4.0681 8.6637 122.7136 59.6924 29.5540 176.3032 90 H 4.8073 7.6762 110.3622 55.8023 31.4537 172.9421 91 A 4.3910 8.5104 120.7930 49.9273 20.9274 175.1496 92 E 5.0439 8.8848 123.4685 54.2641 32.4279 175.1507 93 V 4.4968 8.9115 126.4313 61.2117 34.3194 174.0820 94 V 5.1423 8.4945 127.9481 61.1747 33.8499 174.4386 95 F 5.0691 8.6858 120.6624 56.2509 41.4713 173.1725 96 T 4.8427 8.7697 117.5186 63.1675 69.5356 173.9665 97 A 4.6567 8.8685 127.3081 50.7614 22.2764 176.1190 98 N 4.7137 9.9216 116.2637 54.0293 36.6177 176.5782 99 D 4.5472 8.5696 119.1488 55.0589 39.6776 176.3270 100 S 4.6081 7.5989 114.8270 57.6571 63.5762 174.8310 101 G 4.0243 8.3179 105.3612 45.2233 0.0000 171.4929 102 P 4.8000 0.0000 0.0000 62.9770 31.6287 175.9871 103 R 4.6099 8.5756 119.1160 54.1959 34.1475 174.4619 104 R 4.5888 8.3781 120.5240 55.9269 31.5813 174.6049 105 Y 4.9479 9.2840 124.3383 56.4947 41.1767 174.5854 106 T 4.8481 9.0177 121.7652 61.9837 71.0002 173.6383 107 I 4.6224 8.8414 128.8314 59.9810 38.6492 174.7329 108 A 5.2450 8.9655 129.7660 50.2252 21.6634 175.3159 109 A 5.1415 8.9901 121.8628 50.0127 23.1949 174.9146 110 L 4.9875 9.1614 123.7251 53.4095 44.7733 174.9733 111 L 5.3847 9.0504 127.2118 53.4171 44.1034 176.0497 112 S 5.2177 9.3589 118.3319 56.0671 67.1244 173.4635 113 P 3.1322 0.0000 0.0000 65.0375 31.1316 177.7849 114 Y 4.7410 7.6711 112.3478 57.1359 38.6856 174.9614 115 S 4.6674 7.9953 113.1607 57.4909 65.7473 173.0267 116 Y 5.4908 7.7967 123.3870 55.6294 41.2648 173.8400 117 S 4.9198 9.1444 114.4710 56.8782 65.9508 172.5899 118 T 5.2599 8.4841 118.3653 60.8218 70.5499 172.9601 119 T 4.8085 8.9750 123.1145 61.7502 73.0707 172.4352 120 A 5.0530 8.6429 126.6575 50.2038 21.3116 176.0025 121 V 4.1814 8.6237 123.1501 61.2161 33.5884 174.4342 122 V 4.7105 8.3390 128.4033 61.0860 33.7310 175.3329 123 T 4.2273 8.4913 117.3757 61.8573 68.9492 173.7001 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 11 P 0.00 4.53 0.00 2.60 2.53 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.22 0.00 12 L 7.69 5.10 0.00 0.91 1.15 0.95 0.36 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 13 M 9.31 4.95 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 14 V 8.46 4.83 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 1.03 0.00 0.00 0.90 0.00 0.00 15 K 9.07 4.99 0.00 1.76 1.55 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.30 7.81 16 V 8.90 4.81 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 0.74 0.00 0.00 0.81 0.00 0.00 17 L 8.85 5.13 0.00 1.58 1.50 0.92 1.03 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 18 D 9.04 5.14 0.00 2.65 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 19 A 9.30 4.27 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 20 V 8.66 3.83 2.58 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 0.92 0.00 0.00 1.09 0.00 0.00 21 R 8.45 4.32 0.00 1.92 2.02 0.00 3.70 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 22 G 8.28 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 0.00 0.00 0.00 23 S 7.42 4.78 0.00 3.87 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 24 P 0.00 4.64 0.00 1.94 2.17 0.00 3.67 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 2.10 0.00 25 A 8.72 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.41 4.22 1.91 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 1.48 0.79 0.94 0.00 0.00 27 N 8.55 4.19 0.00 2.88 2.92 0.00 0.00 7.09 6.99 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 28 V 7.81 4.08 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 0.72 0.00 0.00 0.57 0.00 0.00 29 A 8.59 4.62 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 30 V 8.84 4.82 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 0.93 0.00 0.00 0.87 0.00 0.00 31 H 9.37 5.07 0.00 3.10 2.77 0.00 5.62 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 32 V 8.79 4.88 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 1.20 0.00 0.00 0.94 0.00 0.00 33 F 9.51 5.57 0.00 2.94 3.26 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 34 R 9.21 4.77 0.00 1.34 1.67 0.00 2.72 0.00 0.00 3.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.50 0.00 35 K 8.77 3.81 0.00 1.04 1.25 0.00 0.95 0.00 0.00 1.29 0.00 0.00 2.56 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.92 0.23 7.81 36 A 8.86 3.93 1.30 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 0.00 0.00 0.00 *39 D 7.81 4.30 0.00 2.60 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 40 T 7.47 4.11 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 1.16 0.00 0.00 41 W 8.46 5.00 0.00 3.07 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 42 E 9.26 4.64 0.00 2.18 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 2.36 2.32 0.00 43 P 0.00 4.37 0.00 1.99 2.01 0.00 3.77 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.43 0.00 44 F 8.81 4.81 0.00 3.04 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 A 7.66 4.48 1.11 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 0.00 0.00 46 S 7.85 4.68 0.00 3.61 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 47 G 7.87 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 48 K 8.50 5.33 0.00 1.68 1.70 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.38 7.81 49 T 8.61 4.30 4.16 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 1.19 0.00 0.00 50 S 8.72 4.75 0.00 3.99 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 51 E 8.68 3.94 0.00 1.97 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 2.31 2.24 0.00 52 S 7.89 4.31 0.00 4.01 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 53 G 8.48 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 54 E 7.66 5.15 0.00 1.97 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 2.19 2.39 0.00 55 L 8.79 4.90 0.00 1.63 1.40 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.88 4.92 0.00 2.98 3.16 0.00 6.03 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.77 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 58 L 7.86 3.99 0.00 1.55 1.68 0.86 0.74 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 59 T 7.27 4.61 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 0.85 0.00 0.00 60 T 7.79 4.53 4.44 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 1.21 0.00 0.00 *62 E 9.07 4.30 0.00 2.04 2.15 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 2.25 2.41 0.00 63 E 8.11 4.27 0.00 2.01 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 2.57 2.33 0.00 64 F 8.27 5.06 0.00 3.19 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 65 V 7.60 4.09 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 0.85 0.00 0.00 1.02 0.00 0.00 66 E 8.05 4.69 0.00 1.89 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 2.46 2.16 0.00 67 G 7.98 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 0.00 0.00 0.00 68 I 7.15 4.81 1.67 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 0.48 1.02 0.00 0.00 69 Y 8.68 5.10 0.00 1.83 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 70 K 9.13 4.86 0.00 0.79 1.01 0.00 0.61 0.00 0.00 1.03 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 0.98 7.81 71 V 9.23 4.71 2.22 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 0.99 0.00 0.00 1.15 0.00 0.00 72 E 9.48 4.91 0.00 2.07 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 2.14 2.01 0.00 73 I 8.74 4.59 1.83 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 1.06 0.48 0.79 0.00 0.00 74 D 8.88 5.01 0.00 2.75 2.58 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 0.00 0.00 0.00 0.00 75 T 7.73 3.95 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 1.13 0.00 0.00 76 K 8.09 4.17 0.00 2.19 1.95 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.59 7.81 77 S 8.46 4.16 0.00 4.06 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 78 Y 7.45 3.92 0.00 2.80 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 79 W 8.17 4.37 0.00 3.53 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 80 K 8.90 4.46 0.00 1.83 1.89 0.00 1.72 0.00 0.00 1.98 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.67 1.51 7.81 81 A 7.88 4.13 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 L 7.68 4.49 0.00 1.78 1.71 0.32 0.67 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 83 G 8.21 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 0.00 0.00 0.00 84 I 7.56 4.40 2.28 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.89 0.77 0.00 0.00 85 S 8.49 4.68 0.00 3.90 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 86 P 0.00 4.48 0.00 2.18 1.82 0.00 3.81 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.24 0.00 87 F 8.11 3.71 0.00 1.51 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 H 7.81 4.56 0.00 3.32 3.51 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.66 4.07 0.00 1.81 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 2.18 2.16 0.00 90 H 7.68 4.81 0.00 3.22 3.23 0.00 5.09 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.51 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.88 5.04 0.00 2.03 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 2.07 2.15 0.00 93 V 8.91 4.50 2.21 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 0.80 0.00 0.00 0.98 0.00 0.00 94 V 8.49 5.14 2.19 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 1.16 0.00 0.00 0.90 0.00 0.00 95 F 8.69 5.07 0.00 3.16 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 96 T 8.77 4.84 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 1.24 0.00 0.00 97 A 8.87 4.66 0.70 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 98 N 9.92 4.71 0.00 2.75 2.89 0.00 0.00 6.65 8.05 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 99 D 8.57 4.55 0.00 2.81 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 0.00 100 S 7.60 4.61 0.00 3.79 3.94 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 0.00 101 G 8.32 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 0.00 102 P 0.00 4.80 0.00 2.24 2.13 0.00 3.73 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 2.01 2.03 0.00 103 R 8.58 4.61 0.00 1.27 1.49 0.00 3.31 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 104 R 8.38 4.59 0.00 1.88 1.71 0.00 3.03 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 105 Y 9.28 4.95 0.00 3.00 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 0.00 106 T 9.02 4.85 4.21 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 1.18 0.00 0.00 107 I 8.84 4.62 1.84 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.00 0.89 0.00 0.00 108 A 8.97 5.25 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 0.00 109 A 8.99 5.14 1.14 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 0.00 0.00 110 L 9.16 4.99 0.00 1.76 1.58 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.05 5.38 0.00 1.79 2.03 0.49 0.66 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 0.00 112 S 9.36 5.22 0.00 3.91 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 0.00 113 P 0.00 3.13 0.00 2.05 1.66 0.00 3.29 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.50 0.00 114 Y 7.67 4.74 0.00 2.76 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 0.00 115 S 8.00 4.67 0.00 3.79 3.69 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 0.00 0.00 0.00 0.00 116 Y 7.80 5.49 0.00 3.07 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 0.00 117 S 9.14 4.92 0.00 3.92 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 0.00 118 T 8.48 5.26 4.40 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 1.33 0.00 0.00 119 T 8.97 4.81 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 0.00 120 A 8.64 5.05 1.14 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 0.00 0.00 121 V 8.62 4.18 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 0.93 0.00 0.00 0.91 0.00 0.00 122 V 8.34 4.71 1.97 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 0.39 0.00 0.00 0.90 0.00 0.00 123 T 8.49 4.23 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 1.16 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.