NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.5294 0.0000 0.0000 61.9255 33.3597 175.4504 3 E 4.2280 9.0133 124.7359 56.4694 29.7532 175.4966 4 I 4.1377 9.6901 127.5106 61.2257 38.4906 175.2833 5 R 4.5401 8.4413 124.1863 54.9295 31.8884 175.3586 6 L 4.1228 8.4657 124.4022 54.4410 42.1326 176.1607 7 R 4.2504 8.6934 126.5356 57.9512 29.8499 177.6527 8 H 4.8467 7.4060 112.2970 54.7186 32.8982 171.0111 9 V 4.4259 8.2215 118.5176 61.7954 31.5799 176.2139 10 V 3.8824 8.8175 129.7242 66.0784 32.0960 175.9156 11 S 4.6426 7.5910 113.6906 58.0201 67.8381 173.3391 12 C 4.8884 8.2075 119.2540 58.8042 32.9851 173.4763 13 S 4.3911 8.9079 123.1923 61.4196 63.1665 175.2649 14 S 4.6785 8.0713 112.7837 56.8470 65.1509 172.9631 15 Q 4.9736 8.2943 124.0236 54.8190 31.4543 173.8270 16 D 4.5751 8.7599 120.2034 53.8968 42.1695 177.2260 17 S 4.2498 8.8151 120.3682 61.8990 62.8834 176.1235 18 T 4.1701 7.8824 107.4172 62.9849 70.1547 175.0421 19 H 4.9895 7.8394 120.7099 53.7926 27.4453 173.0982 20 C 5.0340 7.7364 116.1753 56.3887 31.9319 174.9836 21 A 3.6316 9.4762 120.9879 54.7439 17.5623 179.6120 22 E 3.9702 8.0942 116.7574 59.2159 29.3124 178.5603 23 N 4.4971 7.8760 115.0219 55.2102 38.3226 176.1915 24 L 4.3210 7.6504 118.9736 55.5067 41.7114 177.0966 25 L 4.4765 7.7206 119.5417 56.1737 42.9382 177.7287 26 K 4.0356 7.4013 116.8457 56.1020 32.4357 176.4062 27 A 4.2937 8.9527 126.6656 51.0054 19.3773 177.0015 28 D 4.6244 7.8635 121.6376 55.6113 45.1116 175.5733 29 T 4.4539 7.8564 111.6897 63.4985 68.2907 175.1674 *31 R 4.2908 7.8896 131.7694 56.1589 30.7920 171.9138 32 K 4.8167 7.7843 117.6034 54.8876 37.5916 175.9131 33 W 5.6055 9.0183 131.6768 56.1525 32.6562 175.0533 34 R 4.6264 8.8678 124.5536 53.7979 34.5920 174.3677 35 A 3.8974 7.6814 123.9005 52.0469 18.2682 177.3231 36 A 4.0036 8.9566 127.3003 54.6883 18.8785 177.9592 37 K 4.4251 8.0969 115.7090 54.0684 33.9668 176.3526 38 A 4.5150 8.4723 127.0462 53.0845 18.8906 175.9684 39 G 4.1448 8.8628 106.9327 45.7105 0.0000 174.6202 40 E 4.2415 7.6953 117.3580 56.5728 30.1897 176.5287 41 K 4.5958 8.8776 119.4546 56.7595 34.6207 176.3319 42 T 5.4708 7.8353 107.4948 60.1240 72.0362 173.2119 43 I 4.9137 9.0950 115.8002 59.6813 41.8177 173.7246 44 S 5.4296 9.7116 116.4734 57.3444 66.3603 172.9748 45 V 4.7717 8.4595 116.0620 59.6713 36.6519 174.3112 46 V 4.6624 8.3831 122.1434 61.2073 34.2309 174.1002 47 L 5.0160 8.4077 130.0791 53.7427 44.2058 176.6597 48 Q 4.6680 8.5179 123.7632 55.1113 29.7106 172.9555 49 L 4.7539 8.5762 121.8746 53.2230 43.1285 176.9716 50 E 4.1714 8.2990 120.0715 59.4770 29.8388 177.3306 51 K 4.5271 7.7458 117.2417 54.7169 35.4554 175.1015 52 E 4.3903 8.8574 124.5401 57.3156 29.9803 176.1007 53 E 4.7656 9.1492 121.7744 54.8868 34.1258 173.6610 54 Q 4.7851 8.5775 120.8544 55.1989 30.8845 174.0889 55 I 4.5221 8.5498 127.1236 61.1552 38.0116 174.6147 56 H 4.7892 10.4224 127.9387 57.6919 31.7384 174.5500 57 S 5.1108 7.9871 110.7891 56.8341 66.3302 172.8141 58 V 4.8535 8.8469 124.8645 61.2988 34.6059 173.8185 59 D 5.6170 9.5723 128.1261 52.8871 43.7611 175.4004 60 I 4.5930 8.9862 122.4921 59.4546 41.0273 174.5797 61 G 2.6592 8.2021 115.1068 43.9633 0.0000 172.3414 62 N 4.6178 8.3797 125.6227 52.9590 40.8268 173.7278 63 D 4.8675 8.3033 122.7251 52.1006 41.4156 175.9234 64 G 3.9523 9.1806 107.5164 44.8770 0.0000 171.5370 65 S 4.4266 8.2173 115.7148 57.9449 63.7073 174.0885 66 A 4.2822 8.9314 125.4208 53.7616 20.0045 177.2533 67 F 5.3399 7.7328 112.0108 56.3491 44.2075 173.9660 68 V 4.8471 9.2887 120.6858 61.3525 34.9294 173.6939 69 E 4.9468 9.3489 127.9465 54.2950 33.4887 174.3474 70 V 4.7841 8.5476 124.9750 61.2886 34.3151 174.6013 71 L 5.1510 9.0989 127.6601 53.2004 45.1353 175.5975 72 V 4.4518 8.5007 112.5365 60.3527 36.4708 175.3839 73 G 4.0761 8.1981 107.7133 46.0713 0.0000 171.7422 74 S 6.0294 8.7011 113.5490 55.2828 65.2690 174.9542 75 S 4.2084 9.0614 116.8356 61.0364 63.2317 174.8122 76 A 4.1182 7.6970 122.7797 53.0363 18.5924 177.2489 77 G 3.7232 8.8883 108.9098 45.3443 0.0000 175.2580 78 G 3.7158 8.1762 108.9714 45.3060 0.0000 173.8160 79 A 4.4592 7.5612 119.5253 52.7472 20.2183 175.7994 80 G 4.4073 8.2036 115.7352 45.5850 0.0000 170.3934 81 E 4.0358 8.2569 117.4491 57.8984 30.0318 177.0961 82 Q 5.2540 7.7186 120.0050 56.4463 29.8481 176.5736 83 D 4.5138 8.2344 118.0584 55.5187 41.9093 174.9480 84 Y 4.4790 7.2957 115.9922 56.8493 39.7595 174.3234 85 E 4.5935 8.2620 124.1195 54.4603 32.4274 175.2169 86 V 4.0239 8.1805 125.5786 62.5933 31.6160 175.4370 87 L 4.1369 8.6886 130.8958 57.3228 43.0662 175.4153 88 L 5.0043 8.1254 121.0770 52.9881 43.9737 175.6880 89 V 4.2393 8.3803 125.8330 61.1091 32.9771 175.8120 90 T 4.0624 8.3850 117.6843 64.8105 68.6529 173.3977 91 S 5.0377 9.5958 122.1724 56.7342 66.9073 172.9629 92 S 5.3524 8.7523 116.8301 57.6688 63.0090 173.6295 93 F 4.6806 8.3859 123.0572 56.8937 41.1151 174.8733 94 M 4.2153 7.2225 113.0060 53.3641 35.5801 175.1493 95 S 4.2109 7.8884 121.4334 57.2702 65.2624 173.3392 96 P 3.2004 0.0000 0.0000 65.5760 31.0065 179.2278 97 S 4.0352 7.7084 113.2969 61.6302 62.7806 176.4626 98 E 4.0031 8.2008 121.3293 59.4093 29.0369 179.6356 99 S 4.0920 8.1650 115.4651 61.6096 62.7243 176.8321 100 R 4.2885 8.1349 119.6280 57.9215 29.7316 177.3438 101 S 4.5883 7.2060 111.8523 57.6358 63.8875 174.3098 102 G 3.9876 7.4579 107.0830 47.6962 0.0000 174.2533 103 S 4.6287 8.1643 113.8611 57.6495 65.7919 174.8912 104 N 4.1701 8.6884 120.7034 54.2136 35.6357 173.1340 105 P 4.4332 0.0000 0.0000 64.4945 32.3407 177.8236 106 N 5.3929 7.7588 114.5153 52.1287 39.4424 175.0562 107 R 4.2495 8.1256 120.1612 56.5091 31.3585 175.5243 108 V 5.0092 8.3522 124.0856 60.1687 34.5146 174.8963 109 R 4.6236 8.9588 120.3672 54.9057 34.7098 173.7989 110 M 4.9456 8.2567 120.7884 53.8571 34.7845 176.1432 111 F 4.6247 9.4250 121.4920 55.1600 41.1714 175.1504 112 G 4.0177 8.3772 113.2267 44.1110 0.0000 170.4832 113 P 4.4043 0.0000 0.0000 64.7456 31.3150 178.8147 114 D 4.3923 8.1827 115.5599 56.3560 39.1553 177.2158 115 K 4.3814 8.0623 116.3899 56.4547 32.1482 176.4447 116 L 4.7564 7.5080 119.2462 52.6601 43.8976 176.9375 117 V 3.7977 8.6271 115.2068 61.3681 31.4761 177.4705 118 R 3.9645 8.9166 125.4174 59.2298 29.6686 178.3423 119 A 4.0012 8.1990 118.6680 55.8493 18.1666 179.2438 120 A 4.4041 8.0921 117.6978 55.0270 18.4393 179.2926 121 A 4.3332 7.9205 117.7873 54.5402 18.5465 179.0867 122 E 4.0923 7.9886 117.5792 58.5180 29.9500 177.1210 123 K 4.3389 7.2968 115.9687 56.0076 33.1554 176.5398 124 R 4.7113 7.6984 116.6982 54.5499 32.6505 174.4623 125 W 5.3118 8.8100 119.3952 55.5645 34.5613 175.3475 126 D 4.8475 8.7039 115.1395 53.8283 41.3935 174.8223 127 R 5.2162 8.6897 117.4342 55.0986 35.4234 174.8918 128 V 4.7373 8.5029 114.0738 58.2183 35.5452 174.9031 129 K 4.3352 8.5245 128.2025 56.4769 33.4732 175.4424 130 I 4.9163 8.6351 128.0148 59.6310 40.5568 174.4580 131 V 4.8200 8.8735 128.3549 61.4802 33.4464 174.0237 132 C 5.2270 9.1697 126.2115 58.2134 30.5788 173.2540 133 S 5.1587 8.5920 119.3340 57.2610 66.7076 173.2529 134 Q 4.6679 8.5187 118.8678 55.3725 31.1683 172.1077 135 P 4.5432 0.0000 0.0000 62.3570 32.2532 175.9908 136 Y 4.5547 7.6222 116.0136 57.8714 38.0343 175.0991 137 S 4.6313 7.3303 112.7096 57.4320 65.1495 173.7690 138 K 4.6073 8.5811 123.5528 56.2599 33.0244 175.9938 139 D 4.7736 7.9671 117.1949 56.0261 42.6785 177.1525 140 S 4.2750 7.7766 114.8004 57.6969 63.5125 172.8897 141 P 4.5037 0.0000 0.0000 62.9426 31.9164 175.7682 142 F 5.1412 7.5409 114.4261 55.3111 41.5895 173.6639 143 G 3.6614 7.9314 113.0119 46.1866 0.0000 172.7128 144 L 4.9167 8.3787 123.7911 53.0842 45.5796 177.4010 145 S 4.2779 9.5040 119.0311 61.0074 63.1452 173.5755 146 F 5.0099 7.3827 112.2697 56.6795 40.8154 172.8468 147 V 4.9571 8.5465 117.4455 60.7086 34.1185 173.7928 148 R 4.6693 9.0901 122.9165 54.5642 33.5198 174.4557 149 F 5.2166 8.9733 122.4189 56.4380 41.3995 174.5976 150 H 6.1631 9.7425 118.1565 53.1320 32.9067 172.7562 151 S 5.1930 8.5417 115.1213 55.0029 65.5126 172.1758 152 P 4.1977 0.0000 0.0000 62.0538 31.7958 174.9530 153 P 4.4203 0.0000 0.0000 62.9917 31.2269 176.6072 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 2 P 0.00 4.53 0.00 2.14 2.09 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 3 E 9.01 4.23 0.00 1.96 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 2.27 2.44 0.00 4 I 9.69 4.14 2.07 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.70 1.01 0.00 0.00 5 R 8.44 4.54 0.00 1.89 1.95 0.00 3.13 0.00 0.00 3.52 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 6 L 8.47 4.12 0.00 1.54 1.59 1.07 0.97 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 7 R 8.69 4.25 0.00 1.87 1.90 0.00 3.27 0.00 0.00 3.31 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.62 0.00 8 H 7.41 4.85 0.00 3.16 3.36 0.00 5.49 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.22 4.43 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 0.73 0.00 0.00 0.80 0.00 0.00 10 V 8.82 3.88 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 0.82 0.00 0.00 0.91 0.00 0.00 11 S 7.59 4.64 0.00 3.71 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 12 C 8.21 4.89 0.00 2.73 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 13 S 8.91 4.39 0.00 3.98 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 0.00 14 S 8.07 4.68 0.00 3.86 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 15 Q 8.29 4.97 0.00 2.37 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 16 D 8.76 4.58 0.00 2.74 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 17 S 8.82 4.25 0.00 3.88 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 18 T 7.88 4.17 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 1.17 0.00 0.00 19 H 7.84 4.99 0.00 3.32 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 7.74 5.03 0.00 3.36 3.23 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 21 A 9.48 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.09 3.97 0.00 2.06 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 2.38 2.43 0.00 23 N 7.88 4.50 0.00 3.20 2.95 0.00 0.00 6.87 6.62 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 24 L 7.65 4.32 0.00 1.66 1.72 0.58 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.72 4.48 0.00 1.70 1.71 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.40 4.04 0.00 1.85 1.77 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.41 7.81 27 A 8.95 4.29 1.22 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 28 D 7.86 4.62 0.00 2.76 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 29 T 7.86 4.45 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 1.29 0.00 0.00 *31 R 7.89 4.29 0.00 1.80 1.91 0.00 3.24 0.00 0.00 3.34 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 0.00 32 K 7.78 4.82 0.00 1.58 1.80 0.00 1.48 0.00 0.00 1.94 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.40 7.81 33 W 9.02 5.61 0.00 3.33 3.08 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 0.00 0.00 0.00 34 R 8.87 4.63 0.00 1.66 1.52 0.00 2.93 0.00 0.00 3.05 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.44 0.00 35 A 7.68 3.90 0.53 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 0.00 0.00 36 A 8.96 4.00 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 37 K 8.10 4.43 0.00 1.89 1.72 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.49 7.81 38 A 8.47 4.52 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 39 G 8.86 4.14 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 0.00 40 E 7.70 4.24 0.00 2.33 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 2.41 0.00 41 K 8.88 4.60 0.00 1.66 1.75 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.14 7.81 42 T 7.84 5.47 4.38 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 1.22 0.00 0.00 43 I 9.09 4.91 1.86 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 0.78 0.35 0.75 0.00 0.00 44 S 9.71 5.43 0.00 3.88 3.73 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 45 V 8.46 4.77 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 0.44 0.00 0.00 46 V 8.38 4.66 2.09 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 0.90 0.00 0.00 0.78 0.00 0.00 47 L 8.41 5.02 0.00 1.52 1.43 0.92 0.53 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 48 Q 8.52 4.67 0.00 1.76 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 49 L 8.58 4.75 0.00 1.53 1.67 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.30 4.17 0.00 1.88 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 2.35 2.40 0.00 51 K 7.75 4.53 0.00 1.72 1.63 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.46 7.81 52 E 8.86 4.39 0.00 1.87 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 2.30 2.31 0.00 53 E 9.15 4.77 0.00 2.03 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 2.41 2.29 0.00 54 Q 8.58 4.79 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.03 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 55 I 8.55 4.52 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.87 1.23 0.00 0.00 56 H 10.42 4.79 0.00 3.40 3.49 0.00 5.77 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.99 5.11 0.00 3.96 3.75 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 58 V 8.85 4.85 2.14 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 0.53 0.00 0.00 1.02 0.00 0.00 59 D 9.57 5.62 0.00 2.79 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 60 I 8.99 4.59 2.31 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 1.40 1.23 0.58 0.00 0.00 61 G 8.20 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.38 4.62 0.00 2.79 2.90 0.00 0.00 6.20 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 63 D 8.30 4.87 0.00 2.76 2.45 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 64 G 9.18 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 65 S 8.22 4.43 0.00 3.94 3.73 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 66 A 8.93 4.28 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 67 F 7.73 5.34 0.00 3.00 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 68 V 9.29 4.85 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 0.76 0.00 0.00 0.18 0.00 0.00 69 E 9.35 4.95 0.00 2.03 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 0.00 2.19 2.35 0.00 70 V 8.55 4.78 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 1.20 0.00 0.00 0.88 0.00 0.00 71 L 9.10 5.15 0.00 1.47 1.64 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.50 4.45 1.12 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 0.48 0.00 0.00 -0.50 0.00 0.00 73 G 8.20 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.70 6.03 0.00 3.93 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 75 S 9.06 4.21 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 76 A 7.70 4.12 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 77 G 8.89 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 0.00 0.00 0.00 78 G 8.18 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 0.00 0.00 0.00 79 A 7.56 4.46 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 80 G 8.20 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 81 E 8.26 4.04 0.00 2.04 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 2.43 2.30 0.00 82 Q 7.72 5.25 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.03 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 83 D 8.23 4.51 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.30 4.48 0.00 2.80 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 85 E 8.26 4.59 0.00 1.80 1.49 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 2.34 2.30 0.00 86 V 8.18 4.02 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 0.80 0.00 0.00 0.97 0.00 0.00 87 L 8.69 4.14 0.00 1.70 1.75 1.00 0.59 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 88 L 8.13 5.00 0.00 1.65 1.36 0.57 -0.07 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 89 V 8.38 4.24 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 0.92 0.00 0.00 90 T 8.38 4.06 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 1.15 0.00 0.00 91 S 9.60 5.04 0.00 3.97 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 92 S 8.75 5.35 0.00 4.14 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 93 F 8.39 4.68 0.00 2.94 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 94 M 7.22 4.22 0.00 1.86 1.98 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 95 S 7.89 4.21 0.00 4.08 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 96 P 0.00 3.20 0.00 1.86 1.43 0.00 3.34 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.23 0.00 97 S 7.71 4.04 0.00 3.78 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 98 E 8.20 4.00 0.00 2.07 2.14 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 2.28 2.28 0.00 99 S 8.17 4.09 0.00 3.93 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 0.00 100 R 8.13 4.29 0.00 1.89 1.99 0.00 3.13 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 101 S 7.21 4.59 0.00 4.03 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 0.00 102 G 7.46 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 0.00 103 S 8.16 4.63 0.00 3.79 3.75 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 0.00 104 N 8.69 4.17 0.00 2.80 2.84 0.00 0.00 7.07 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 0.00 105 P 0.00 4.43 0.00 2.17 2.07 0.00 3.57 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 106 N 7.76 5.39 0.00 2.61 2.83 0.00 0.00 7.23 7.66 0.00 0.00 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 R 8.13 4.25 0.00 1.93 1.91 0.00 3.31 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 108 V 8.35 5.01 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 0.89 0.00 0.00 1.21 0.00 0.00 109 R 8.96 4.62 0.00 1.85 1.15 0.00 2.41 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.24 0.00 110 M 8.26 4.95 0.00 1.82 1.85 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.77 0.00 111 F 9.43 4.62 0.00 3.10 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 0.00 112 G 8.38 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 0.00 113 P 0.00 4.40 0.00 2.17 2.04 0.00 3.88 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 1.53 0.00 114 D 8.18 4.39 0.00 2.80 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 0.00 115 K 8.06 4.38 0.00 2.09 2.10 0.00 1.64 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.45 7.81 116 L 7.51 4.76 0.00 1.82 1.63 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.63 3.80 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 0.91 0.00 0.00 1.07 0.00 0.00 118 R 8.92 3.96 0.00 1.89 2.03 0.00 3.19 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 119 A 8.20 4.00 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 0.00 120 A 8.09 4.40 1.45 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 0.00 121 A 7.92 4.33 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 0.00 122 E 7.99 4.09 0.00 2.21 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 2.34 2.41 0.00 123 K 7.30 4.34 0.00 1.66 1.04 0.00 1.50 0.00 0.00 1.44 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.40 7.81 124 R 7.70 4.71 0.00 1.64 1.89 0.00 2.91 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.42 0.00 125 W 8.81 5.31 0.00 3.23 3.38 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 0.00 126 D 8.70 4.85 0.00 2.74 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 0.00 127 R 8.69 5.22 0.00 1.85 1.97 0.00 3.32 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.84 0.00 128 V 8.50 4.74 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.49 0.00 0.00 129 K 8.52 4.34 0.00 0.98 1.16 0.00 1.04 0.00 0.00 1.57 0.00 0.00 2.71 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.30 1.15 7.81 130 I 8.64 4.92 1.91 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 1.25 0.95 1.07 0.00 0.00 131 V 8.87 4.82 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 1.12 0.00 0.00 0.91 0.00 0.00 132 C 9.17 5.23 0.00 2.74 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 0.00 133 S 8.59 5.16 0.00 4.01 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 0.00 134 Q 8.52 4.67 0.00 1.50 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.70 0.00 0.00 0.00 0.00 0.00 1.92 1.80 0.00 135 P 0.00 4.54 0.00 1.79 1.87 0.00 3.47 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.65 0.00 136 Y 7.62 4.55 0.00 2.94 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 0.00 137 S 7.33 4.63 0.00 3.90 3.62 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 0.00 138 K 8.58 4.61 0.00 1.72 1.73 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.38 7.81 139 D 7.97 4.77 0.00 2.65 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 7.78 4.28 0.00 3.87 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 0.00 141 P 0.00 4.50 0.00 2.00 1.94 0.00 3.69 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 2.02 2.08 0.00 142 F 7.54 5.14 0.00 3.13 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 0.00 143 G 7.93 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 8.38 4.92 0.00 1.75 1.60 1.03 0.55 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 0.00 145 S 9.50 4.28 0.00 3.89 3.73 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 0.00 146 F 7.38 5.01 0.00 3.13 3.17 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 0.00 147 V 8.55 4.96 2.09 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 0.85 0.00 0.00 0.65 0.00 0.00 148 R 9.09 4.67 0.00 1.84 1.80 0.00 3.16 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 149 F 8.97 5.22 0.00 2.97 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 0.00 150 H 9.74 6.16 0.00 3.22 3.22 0.00 5.59 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 S 8.54 5.19 0.00 3.90 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 0.00 152 P 0.00 4.20 0.00 2.05 1.98 0.00 3.72 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 2.15 2.20 0.00 153 P 0.00 4.42 0.00 2.02 1.95 0.00 3.61 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 * Residues marked with a * may have inaccurate shift predictions.