NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *22 H 4.7005 8.4444 117.3743 54.5026 30.5429 173.5644 23 M 4.3137 7.9458 119.3573 54.8579 32.7141 174.1044 24 K 4.8450 9.1806 126.6999 54.9093 36.9701 174.9517 25 T 4.5652 8.4981 115.6959 61.1096 70.3580 175.5418 26 V 3.5594 8.7082 123.1217 66.2279 31.4206 178.2166 27 K 3.8335 7.7793 118.9790 60.2192 32.1259 178.4822 28 H 4.4066 7.9920 115.5940 58.6482 28.5434 177.8793 29 L 4.0407 8.0388 121.1203 57.7645 41.3490 179.4877 30 L 3.9603 8.3596 119.4105 57.7282 41.2601 179.4767 31 Q 3.9890 7.9110 117.2876 58.9624 28.7202 178.5543 32 E 4.0932 7.8472 118.0236 59.3951 29.6829 178.9258 33 K 4.1662 7.9047 117.7698 56.1524 32.6417 177.7411 34 G 4.0364 8.5230 104.7192 46.0643 0.0000 172.7406 35 H 4.6996 8.3355 114.6482 55.4235 29.2044 175.8659 36 T 3.9813 7.7598 117.0250 63.6672 68.7937 173.6425 37 V 4.3354 8.1953 124.3865 60.8986 34.4376 174.3935 38 V 4.4209 8.3326 126.3604 61.2790 33.3479 174.1893 39 A 5.3731 8.4743 128.0434 50.4907 22.8223 174.0610 40 I 4.5099 8.6089 117.8387 59.8047 42.2539 174.1723 41 G 4.3216 8.5785 113.1130 44.6160 0.0000 173.2515 42 P 4.4285 0.0000 0.0000 65.1345 31.5973 177.5149 43 D 4.6770 7.8927 116.2387 54.2541 41.3871 175.7982 44 D 4.6209 7.7872 119.9228 53.5519 42.2515 175.1514 45 S 4.9609 8.2821 117.0618 57.7025 65.4940 175.3772 46 V 3.6628 8.9587 123.5836 65.9612 31.2449 178.3063 47 F 4.0297 8.3298 120.1302 61.4973 39.2739 176.6770 48 N 4.2672 8.5899 115.8042 56.0766 38.2117 177.1493 49 A 3.9210 8.0057 122.0829 55.7180 18.5449 179.7659 50 M 3.7568 8.0518 117.1486 58.2161 31.7902 179.1297 51 Q 3.7122 7.7196 118.4696 58.5559 28.8172 178.6477 52 K 3.8369 7.9799 120.5948 59.7470 32.2372 178.6493 53 M 3.9646 8.1667 118.9820 58.3466 31.7456 178.6095 54 A 3.8895 8.0020 120.5056 55.1047 18.3430 179.5100 55 A 3.9051 7.8798 118.1336 55.3014 18.6162 178.9831 56 D 4.4047 8.0720 114.3252 53.7562 42.2752 175.7311 57 N 4.0907 7.6953 117.5585 54.6145 37.4810 171.8130 58 I 4.7303 8.0381 110.4632 59.4464 41.5650 175.5695 59 G 4.2628 8.5353 103.9653 45.8659 0.0000 172.2063 60 A 5.2700 7.6940 120.1134 50.3745 22.6973 175.8001 61 L 4.8864 8.8957 119.3565 52.6278 45.7501 176.2876 62 L 4.3601 8.5590 123.9524 54.7719 43.0579 176.1279 63 V 4.6797 8.8633 124.5470 61.8405 32.8320 174.3727 64 M 5.2490 8.5342 127.6121 53.6289 35.3689 176.0957 65 K 4.1857 8.9397 122.9807 56.3674 35.2208 175.7923 66 D 4.2563 9.4591 128.4530 55.8714 37.9483 174.0669 67 E 3.7037 8.2140 115.5029 57.3476 28.2751 175.5313 68 K 4.3909 7.5814 121.3976 52.4611 33.4190 180.3742 69 L 4.6783 8.2903 125.8958 54.0624 41.0471 176.4514 70 V 4.0440 8.3056 120.0297 61.8863 32.6035 176.0171 71 G 4.0320 7.1924 106.5371 46.0726 0.0000 171.8144 72 I 5.0772 8.3828 119.6786 58.9328 41.5847 173.4865 73 L 5.1784 9.1246 131.6752 53.6237 44.0982 175.1847 74 T 5.0792 8.6812 115.4558 59.2371 72.2114 174.8287 75 E 4.0704 8.9815 121.7532 59.6685 29.3254 179.9365 76 R 4.1871 7.9084 119.6263 58.8411 30.2560 177.8113 77 D 4.4187 8.2761 118.8820 57.5866 41.0087 178.8179 78 F 4.1538 8.3262 121.0054 61.4012 39.3915 177.3168 79 S 4.1968 8.5888 114.0821 61.2437 62.5438 176.2345 80 R 4.2594 8.0779 120.2184 57.1704 30.0614 177.8572 81 K 4.2562 7.8120 117.5230 57.1556 33.5514 178.6466 82 S 4.0339 7.5953 114.6049 61.5487 62.6525 176.1014 83 Y 4.1796 7.4972 118.5746 58.5448 38.2311 176.2429 84 L 4.0115 6.5046 118.2270 55.8458 42.0544 177.2409 85 L 4.1672 7.2613 120.9552 55.1753 42.7655 177.7048 86 D 4.8016 8.1203 121.1416 50.7325 38.8370 177.1822 87 K 4.4738 7.0390 117.8629 55.4499 35.4587 174.1427 88 P 4.5820 0.0000 0.0000 62.1564 32.4275 177.4683 89 V 3.7449 8.4481 118.6312 66.0617 31.5960 178.2523 90 K 4.1585 8.1589 117.5971 58.4168 32.0056 176.8741 91 D 4.8863 8.0919 116.8686 53.8197 41.6162 175.1252 92 T 4.7799 7.6883 114.7427 61.6825 70.8464 173.8379 93 Q 4.7877 9.2796 125.4770 54.8488 30.2332 177.0601 94 V 3.6493 8.7596 122.0980 66.0388 31.6119 178.6884 95 K 4.0775 8.1023 117.6658 59.6308 32.4432 178.0665 96 E 4.1309 8.1814 119.0405 58.3358 29.3822 177.3979 97 I 4.5271 7.5028 108.4659 59.9934 39.0068 175.5042 98 M 4.2636 7.8105 118.9138 55.3476 31.7946 176.0529 99 T 4.1645 8.7889 117.9267 63.6270 69.1066 176.0712 100 R 4.2183 8.6351 125.3937 57.7341 30.9400 176.7040 101 Q 4.3348 7.7456 117.0787 54.3659 27.5974 173.4803 102 V 3.9988 7.9435 121.0482 61.3597 32.5334 175.4756 103 A 4.4719 8.5521 129.8374 52.1555 19.0815 175.6786 104 Y 5.0339 8.0484 118.8423 55.9719 41.9534 173.6420 105 V 4.7166 8.9730 112.0714 59.6209 36.3850 174.1707 106 D 5.6330 9.1066 120.9568 51.3559 42.4582 177.1326 107 L 4.1067 8.5751 117.1479 57.3084 41.7670 179.1580 108 N 4.5034 8.2433 115.2007 54.8202 39.1405 175.4963 109 N 4.5404 7.9445 115.9830 53.8768 39.3252 173.8725 110 T 5.0361 8.5270 110.7112 59.6592 72.5643 175.0845 111 N 4.2424 8.9814 119.7820 56.3268 36.9075 176.8040 112 E 3.8931 8.1597 120.8731 59.0353 29.6798 178.2736 113 D 4.3275 8.0859 118.7622 57.6282 40.8560 178.4155 114 C 4.0375 8.1719 117.1089 63.4372 28.2304 176.3466 115 M 4.0466 8.3985 120.0387 58.1682 31.3891 178.8127 116 A 3.9826 8.2305 121.1281 55.0754 18.5369 179.6787 117 L 3.9061 8.2020 117.8534 58.0044 41.5860 179.7192 118 I 4.0017 7.9215 121.3494 64.1139 36.8170 178.7139 119 T 3.8731 7.7292 115.0101 66.8823 68.4912 175.9963 120 E 4.1621 8.2939 119.1834 59.1847 29.7598 177.9967 121 M 4.1624 8.1995 116.2608 55.3244 32.7275 176.0143 122 R 3.9200 7.4384 117.1672 57.7222 28.1867 176.6369 123 V 4.5123 7.2754 109.4975 59.7632 35.1302 177.2424 124 R 4.2781 8.5020 121.4643 57.5914 31.2966 175.6769 125 H 5.3325 8.1032 115.0694 53.8153 32.6897 173.2809 126 L 4.7256 9.2570 121.5455 52.1987 44.8674 174.4413 127 P 4.7222 0.0000 0.0000 62.7973 33.0067 175.5620 128 V 4.9288 8.8477 122.8295 61.3328 33.4751 174.4031 129 L 5.2670 8.8258 127.8494 53.0439 44.5453 175.8409 130 D 4.5845 8.8795 121.3887 53.7660 43.8580 175.1684 131 D 4.4454 9.8819 126.9052 55.5578 38.4383 174.7342 132 G 3.8711 8.4697 104.1702 45.4827 0.0000 173.9057 133 K 4.4982 7.7062 119.5349 53.8731 34.3404 175.8276 134 V 4.1038 8.3250 123.5953 62.9519 31.7155 175.5124 135 I 4.4086 8.7726 119.8216 59.7114 38.7384 174.8645 136 G 4.0169 7.1176 107.8176 46.6450 0.0000 171.2740 137 L 5.2703 8.3130 120.5959 53.3926 45.2646 175.1745 138 L 5.1539 9.0414 125.7501 52.9893 45.1488 175.5529 139 S 5.0701 9.1740 116.5234 55.8505 66.5632 174.7246 140 I 3.7329 8.5919 120.0259 64.4331 37.3990 178.1105 141 G 3.6143 7.9951 105.9157 47.7539 0.0000 175.2151 142 D 4.3682 7.8524 121.1908 57.2958 40.8617 178.9711 143 L 3.9980 7.8728 119.2331 57.6180 41.6141 179.7421 144 V 3.5806 7.9049 118.3096 65.8383 31.3638 178.0009 145 K 3.9240 8.2917 119.6503 59.4098 31.7697 178.2273 146 D 4.2768 8.1016 117.2817 57.3929 41.2754 177.7397 147 A 4.1314 7.9099 120.1525 54.7875 18.4597 178.8855 148 I 4.0548 7.5850 109.3164 62.1928 38.2929 176.7238 149 S 4.4831 7.6559 121.7031 58.7385 63.0124 173.5586 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 *22 H 8.44 4.70 0.00 2.95 3.05 0.00 7.18 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 23 M 7.95 4.31 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.66 0.00 24 K 9.18 4.85 0.00 1.83 1.57 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.42 7.81 25 T 8.50 4.57 4.37 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 1.20 0.00 0.00 26 V 8.71 3.56 2.33 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 1.05 0.00 0.00 0.96 0.00 0.00 27 K 7.78 3.83 0.00 1.78 1.68 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.51 7.81 28 H 7.99 4.41 0.00 3.39 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.04 4.04 0.00 1.87 1.71 0.92 0.44 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 30 L 8.36 3.96 0.00 1.74 1.38 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 7.91 3.99 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 32 E 7.85 4.09 0.00 2.19 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 2.35 2.56 0.00 33 K 7.90 4.17 0.00 1.83 1.80 0.00 2.01 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.62 7.81 34 G 8.52 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 35 H 8.34 4.70 0.00 3.15 3.44 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.76 3.98 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 37 V 8.20 4.34 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 0.80 0.00 0.00 0.99 0.00 0.00 38 V 8.33 4.42 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 0.96 0.00 0.00 0.92 0.00 0.00 39 A 8.47 5.37 1.18 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 0.00 0.00 0.00 40 I 8.61 4.51 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 1.16 1.24 0.90 0.00 0.00 41 G 8.58 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 42 P 0.00 4.43 0.00 2.23 2.32 0.00 3.69 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 2.07 1.99 0.00 43 D 7.89 4.68 0.00 2.69 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 44 D 7.79 4.62 0.00 2.80 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 45 S 8.28 4.96 0.00 4.19 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 46 V 8.96 3.66 2.36 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 1.33 0.00 0.00 1.08 0.00 0.00 47 F 8.33 4.03 0.00 3.22 3.06 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 0.00 0.00 0.00 48 N 8.59 4.27 0.00 2.98 2.87 0.00 0.00 6.98 6.60 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 49 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 50 M 8.05 3.76 0.00 1.52 1.71 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 2.58 0.00 51 Q 7.72 3.71 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 1.37 1.56 0.00 52 K 7.98 3.84 0.00 1.88 1.89 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.44 7.81 53 M 8.17 3.96 0.00 2.18 2.09 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 2.72 2.50 0.00 54 A 8.00 3.89 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 55 A 7.88 3.91 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 56 D 8.07 4.40 0.00 2.73 2.70 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 57 N 7.70 4.09 0.00 2.74 2.80 0.00 0.00 6.90 9.14 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 58 I 8.04 4.73 1.86 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 1.20 0.80 0.96 0.00 0.00 59 G 8.54 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 60 A 7.69 5.27 0.84 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 0.00 0.00 61 L 8.90 4.89 0.00 1.49 1.50 0.90 0.54 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 62 L 8.56 4.36 0.00 1.59 1.57 0.92 0.61 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 63 V 8.86 4.68 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 1.09 0.00 0.00 0.90 0.00 0.00 64 M 8.53 5.25 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 65 K 8.94 4.19 0.00 1.74 1.61 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.40 7.81 66 D 9.46 4.26 0.00 2.83 2.68 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 67 E 8.21 3.70 0.00 2.36 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 2.21 1.85 0.00 68 K 7.58 4.39 0.00 1.69 1.66 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.22 7.81 69 L 8.29 4.68 0.00 1.51 1.56 0.98 0.89 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 70 V 8.31 4.04 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 0.73 0.00 0.00 0.99 0.00 0.00 71 G 7.19 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 0.00 0.00 0.00 72 I 8.38 5.08 1.88 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 1.10 1.83 0.93 0.00 0.00 73 L 9.12 5.18 0.00 1.75 1.49 0.99 0.60 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 74 T 8.68 5.08 4.29 0.00 0.00 0.00 0.00 0.00 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 75 E 8.98 4.07 0.00 2.10 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 0.00 2.33 2.50 0.00 76 R 7.91 4.19 0.00 1.92 1.97 0.00 3.27 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 77 D 8.28 4.42 0.00 3.01 2.91 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 0.00 0.00 0.00 0.00 78 F 8.33 4.15 0.00 3.18 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.59 4.20 0.00 4.15 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 80 R 8.08 4.26 0.00 1.86 2.00 0.00 3.30 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.82 0.00 81 K 7.81 4.26 0.00 1.82 1.71 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.41 7.81 82 S 7.60 4.03 0.00 3.83 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 83 Y 7.50 4.18 0.00 3.06 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 84 L 6.50 4.01 0.00 1.48 1.54 0.70 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.26 4.17 0.00 1.70 1.57 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.12 4.80 0.00 2.69 2.49 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 87 K 7.04 4.47 0.00 1.81 1.76 0.00 1.55 0.00 0.00 1.95 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.38 7.81 88 P 0.00 4.58 0.00 2.26 2.24 0.00 3.71 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 2.08 1.95 0.00 89 V 8.45 3.74 2.32 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 1.26 0.00 0.00 1.22 0.00 0.00 90 K 8.16 4.16 0.00 1.71 1.76 0.00 1.46 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.97 1.04 7.81 91 D 8.09 4.89 0.00 2.59 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 92 T 7.69 4.78 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 1.30 0.00 0.00 93 Q 9.28 4.79 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.74 0.00 0.00 0.00 0.00 0.00 2.57 2.31 0.00 94 V 8.76 3.65 2.35 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 0.99 0.00 0.00 0.98 0.00 0.00 95 K 8.10 4.08 0.00 1.90 2.04 0.00 1.67 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.43 7.81 96 E 8.18 4.13 0.00 2.11 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 2.35 2.37 0.00 97 I 7.50 4.53 1.89 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 1.53 0.73 0.91 0.00 0.00 98 M 7.81 4.26 0.00 2.31 2.23 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 2.61 2.70 0.00 99 T 8.79 4.16 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 1.23 0.00 0.00 100 R 8.64 4.22 0.00 1.80 1.98 0.00 3.20 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 101 Q 7.75 4.33 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 102 V 7.94 4.00 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 0.85 0.00 0.00 0.98 0.00 0.00 103 A 8.55 4.47 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 0.00 104 Y 8.05 5.03 0.00 3.15 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 0.00 105 V 8.97 4.72 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 0.71 0.00 0.00 0.97 0.00 0.00 106 D 9.11 5.63 0.00 2.80 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 0.00 107 L 8.58 4.11 0.00 1.74 1.76 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.24 4.50 0.00 2.87 2.87 0.00 0.00 6.98 7.28 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 0.00 109 N 7.94 4.54 0.00 2.95 2.74 0.00 0.00 6.43 7.92 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 0.00 110 T 8.53 5.04 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 1.21 0.00 0.00 111 N 8.98 4.24 0.00 2.88 3.14 0.00 0.00 7.04 7.68 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 0.00 112 E 8.16 3.89 0.00 2.14 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 2.38 1.98 0.00 113 D 8.09 4.33 0.00 2.99 2.68 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 0.00 114 C 8.17 4.04 0.00 3.14 2.99 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 0.00 115 M 8.40 4.05 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.55 0.00 116 A 8.23 3.98 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 0.00 117 L 8.20 3.91 0.00 1.79 1.71 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.92 4.00 2.06 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 1.68 2.01 0.96 0.00 0.00 119 T 7.73 3.87 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 1.21 0.00 0.00 120 E 8.29 4.16 0.00 1.92 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 2.60 2.41 0.00 121 M 8.20 4.16 0.00 2.00 2.26 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 122 R 7.44 3.92 0.00 1.90 1.99 0.00 3.10 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 123 V 7.28 4.51 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 0.92 0.00 0.00 0.94 0.00 0.00 124 R 8.50 4.28 0.00 1.66 1.78 0.00 3.08 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 125 H 8.10 5.33 0.00 2.97 3.18 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 9.26 4.73 0.00 1.52 1.60 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.72 0.00 2.11 1.98 0.00 3.88 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 2.16 2.12 0.00 128 V 8.85 4.93 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 1.09 0.00 0.00 0.95 0.00 0.00 129 L 8.83 5.27 0.00 1.37 1.38 0.73 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 130 D 8.88 4.58 0.00 2.66 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 0.00 131 D 9.88 4.45 0.00 2.83 2.71 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 0.00 0.00 0.00 132 G 8.47 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 0.00 0.00 0.00 133 K 7.71 4.50 0.00 1.86 1.67 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.46 7.81 134 V 8.33 4.10 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 0.80 0.00 0.00 0.87 0.00 0.00 135 I 8.77 4.41 1.93 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 1.33 0.89 0.96 0.00 0.00 136 G 7.12 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 0.00 137 L 8.31 5.27 0.00 1.61 1.50 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 138 L 9.04 5.15 0.00 1.61 1.52 0.92 0.81 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 0.00 139 S 9.17 5.07 0.00 3.80 3.96 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 0.00 140 I 8.59 3.73 1.83 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 1.44 1.30 0.87 0.00 0.00 141 G 8.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.85 4.37 0.00 2.84 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 0.00 143 L 7.87 4.00 0.00 1.85 1.70 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 144 V 7.90 3.58 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 0.99 0.00 0.00 0.98 0.00 0.00 145 K 8.29 3.92 0.00 1.94 1.91 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.45 7.81 146 D 8.10 4.28 0.00 2.77 2.85 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 0.00 147 A 7.91 4.13 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 0.00 148 I 7.59 4.05 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 1.80 0.67 0.97 0.00 0.00 149 S 7.66 4.48 0.00 3.85 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 * Residues marked with a * may have inaccurate shift predictions.