NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3456 8.3149 120.1430 55.4770 33.6481 175.4503 2 P 4.3041 0.0000 0.0000 61.7868 32.0854 176.1339 3 A 4.2525 8.4056 122.5802 54.4337 19.0949 179.7884 4 S 4.0493 8.0922 112.1517 61.9477 62.8850 176.1994 5 M 3.9726 7.5514 120.9145 57.0467 31.7077 176.4016 6 Y 4.8577 7.7807 113.6486 57.0916 40.4038 176.4341 7 R 4.3708 7.9116 116.5338 57.4954 30.1104 176.0651 8 D 4.9906 7.8227 118.0461 53.3580 42.5481 176.8807 9 I 4.3558 7.9824 124.0614 59.7779 35.8969 174.5808 10 D 4.7947 7.8155 120.9242 53.7483 41.7837 178.1485 11 K 4.2368 7.7640 117.5920 54.9230 32.8071 174.5187 12 P 4.4487 0.0000 0.0000 61.9666 31.9333 176.2823 13 A 4.3183 8.4365 123.1920 52.5874 18.7248 177.4807 14 Y 4.9270 9.7669 125.7158 55.4837 38.5210 175.1632 15 T 4.4182 7.9063 112.2691 61.1003 71.4188 174.9079 16 R 4.1813 7.8686 121.1725 56.5406 28.4895 177.0768 17 R 3.9975 8.2432 122.4206 57.9650 30.3863 178.3105 18 E 3.9023 7.7765 114.3311 57.2828 29.8826 176.4747 19 Y 4.8256 7.8128 114.9934 57.2579 40.0823 175.2149 20 I 4.6314 7.1461 120.6209 59.4320 39.5951 175.0042 21 T 4.6293 7.9543 113.2304 60.9213 71.7742 173.0125 22 G 3.7257 8.6355 108.0897 46.8525 0.0000 173.9732 23 I 4.1440 7.6810 119.9793 58.9953 38.0962 174.7856 24 P 4.3366 0.0000 0.0000 62.4220 31.7760 176.5620 25 G 3.8293 8.2980 110.0553 45.0594 0.0000 173.2290 26 S 4.4253 8.3078 114.6516 57.9165 62.9060 174.4312 27 K 4.1438 8.6239 125.3863 57.4715 32.3301 177.0756 28 I 3.9613 7.4980 120.4260 60.9894 36.8292 175.7580 29 A 4.1712 9.8043 130.8688 54.2875 18.4344 177.4230 30 Q 4.6788 7.3938 109.9542 55.5212 31.3980 173.9939 31 H 4.3493 9.0370 118.4626 57.8406 30.3036 175.0226 32 K 4.9347 8.1224 117.5863 55.1005 33.2293 175.9675 33 M 4.6567 8.8842 124.1422 53.7413 35.9151 176.5979 34 G 3.5572 8.7041 106.7355 46.7028 0.0000 177.1972 35 R 4.2971 8.3765 116.4311 54.3232 28.5383 176.9918 36 K 4.1190 8.0260 120.4002 59.0471 33.3293 179.4866 37 Q 4.0718 7.9935 118.4251 58.4082 28.9365 176.6277 38 K 4.2203 7.5215 117.8590 56.0183 33.0420 175.7114 39 D 4.7813 8.3725 122.1288 52.7027 42.4222 177.8130 40 A 3.5951 8.2233 124.0722 55.1607 18.7930 179.1521 41 D 4.4995 7.9294 115.3019 57.2874 41.1330 177.6933 42 D 4.5486 7.7818 115.9036 54.8738 40.4095 175.3849 43 Y 4.8146 7.5331 116.7888 55.5872 40.7673 174.3447 44 P 4.4442 0.0000 0.0000 64.5358 32.1492 176.7096 45 V 5.2309 7.8558 117.7369 60.3894 34.1028 174.7993 46 Q 4.8566 8.6742 127.5175 54.6974 32.1717 173.2384 47 I 4.9718 8.5428 127.9945 59.6717 39.9957 175.2725 48 S 5.3103 9.1105 122.7932 56.6994 66.5204 172.8562 49 L 4.6729 8.7770 125.1667 53.7353 43.5480 175.0783 50 I 5.4262 8.4540 128.1609 58.7506 39.3923 175.3125 51 V 3.9620 8.2557 127.9019 63.0055 31.8776 176.3786 52 E 3.8067 8.9209 127.8228 58.0197 30.0053 176.7070 53 E 4.7914 7.9142 117.4394 54.3262 33.4631 175.7273 54 T 4.3587 8.4769 119.6213 63.9339 69.2486 174.2124 55 V 4.6217 8.7679 119.0854 60.5904 36.9558 172.9496 56 Q 5.0524 8.7743 119.6779 54.5019 31.6811 175.0445 57 L 4.9376 8.6487 124.7237 52.7075 43.9653 176.9723 58 R 4.4869 8.6173 123.3370 55.9127 31.0532 177.3063 59 H 4.2252 8.9843 117.3396 59.1454 28.1205 178.2462 60 G 3.4442 7.9356 107.7132 47.3809 0.0000 175.5399 61 S 4.1486 7.8488 114.9838 61.1250 62.5738 176.0282 62 L 4.0056 8.1109 121.9223 57.6808 41.2875 179.1618 63 E 3.9129 8.4460 119.2135 59.1850 29.4919 178.5942 64 A 3.9921 8.3509 121.4970 54.9940 18.3841 179.7159 65 S 4.1296 8.1868 112.5638 61.3231 63.5013 176.4035 66 R 3.6432 8.1803 122.7663 58.9813 29.7751 177.8898 67 L 3.9204 8.0959 120.0973 58.3654 41.9495 179.1680 68 S 4.3729 7.6723 112.6748 60.8547 63.0293 176.0372 69 A 4.1682 7.6881 124.7603 54.9985 18.5323 179.0284 70 N 4.1975 8.2302 115.7112 56.7261 38.8931 177.0379 71 R 3.8462 8.5677 120.4645 59.3822 30.0350 178.0497 72 H 4.1864 7.9219 117.8843 59.0161 29.8180 177.2021 73 L 3.6699 7.5443 120.3410 57.7029 41.3866 179.3513 74 I 3.6686 8.0076 120.1293 64.2130 36.7955 178.2707 75 K 4.0303 7.5918 119.4170 58.3680 32.0918 177.7423 76 E 4.3497 7.7069 117.0782 56.2378 30.8020 176.4321 77 L 4.4715 8.7250 116.5316 53.7846 43.7337 177.5916 78 G 4.0634 7.9663 104.9063 45.3340 0.0000 174.5396 79 E 4.1339 8.5983 119.6433 58.5183 29.6185 177.3638 80 E 4.7013 7.8130 118.0769 55.5805 30.8363 175.8078 81 G 3.9614 8.1997 107.5369 45.8253 0.0000 174.8464 82 D 4.7184 8.3426 120.5524 51.9853 39.7367 174.1033 83 Y 4.7785 7.2073 120.8181 55.8430 41.9785 174.2110 84 K 4.8808 8.5795 118.8446 56.5300 35.9977 174.5211 85 M 5.2577 9.0398 124.8408 54.0239 35.5448 174.3325 86 T 5.2155 9.1589 120.6066 61.9176 72.8283 172.8837 87 L 4.8987 8.7764 129.4816 53.5707 41.3757 176.1326 88 R 4.2540 8.4446 123.6858 58.1672 30.1814 177.4192 89 K 4.5393 7.8142 118.4967 55.2284 33.3909 175.7981 90 F 4.7816 8.5083 120.3070 54.9997 42.1081 174.7927 91 P 5.2640 0.0000 0.0000 62.3922 29.2405 175.4318 92 H 4.3602 8.1510 122.8317 59.0482 29.7125 175.6220 93 Q 4.1361 8.0069 121.4225 56.1101 29.7164 175.5940 94 V 4.3441 8.6481 127.9723 62.6424 32.5970 175.0693 95 L 4.8360 9.0374 127.4299 53.1843 44.1819 176.0912 96 R 5.2167 8.3927 121.3139 54.9077 33.5341 175.0394 97 E 4.4814 8.5807 119.5081 55.6579 33.0783 174.4640 98 N 4.9224 8.9179 127.0242 52.3989 37.4486 172.5190 99 K 4.4952 7.7155 121.4960 54.0333 32.2303 174.3915 *111 D 4.4917 8.0298 123.6500 54.7947 44.0139 172.4044 112 G 4.2615 8.9146 112.7285 46.7283 0.0000 172.7861 113 M 4.3180 9.2879 120.9587 55.0062 33.0175 175.8615 114 R 3.9472 7.8655 120.2656 56.9358 31.1438 175.9816 115 A 3.7478 8.6768 128.4430 53.4141 15.9080 177.0253 116 A 4.4121 7.7996 120.8827 52.7254 19.2916 178.1301 117 F 3.8880 8.3173 118.7626 58.1525 39.4601 174.9377 118 G 3.9644 8.0626 115.5438 46.2854 0.0000 171.8140 119 K 4.8992 8.5803 118.7859 54.6598 35.5692 175.9909 120 I 4.2976 8.4573 122.8826 62.1622 36.9534 176.1256 121 V 4.2725 8.5810 119.7348 60.7766 33.9818 175.8819 122 G 3.8007 7.1079 106.8802 45.8198 0.0000 171.5799 123 T 5.1494 7.2090 107.2035 60.4208 72.7326 172.5598 124 A 5.0466 9.1197 122.8953 50.9401 23.5183 174.6958 125 A 4.9154 9.0919 121.4779 50.3280 21.5850 176.3544 126 R 4.7281 8.6136 121.6437 55.1618 31.3893 176.0437 127 V 4.3678 8.6927 125.2097 60.9935 33.8988 174.9325 128 Q 4.5671 9.0201 127.1052 55.0310 30.0649 175.8470 129 A 4.0904 8.5397 125.9634 53.9797 18.8437 178.5578 130 G 3.9423 9.5395 110.5076 45.2099 0.0000 173.6656 131 E 4.4148 7.6600 119.5553 55.7185 31.5881 175.4515 132 Q 4.7101 8.4024 120.5712 55.3236 29.4442 175.4187 133 L 4.0806 9.0324 127.4135 56.9480 43.3728 176.2230 134 F 5.4572 7.7548 116.3072 56.0121 42.9686 174.5685 135 T 4.9886 9.0790 118.0036 62.3386 72.5782 172.7611 136 A 5.1232 9.2693 128.8215 50.1810 22.6058 174.5048 137 Y 5.2105 8.7717 117.9898 56.3101 41.5018 174.8912 138 C 5.0596 8.9595 118.0116 57.0052 34.3160 172.2797 139 N 5.1035 8.8949 115.5999 52.1929 39.3982 177.4217 140 V 3.5009 8.5505 122.1838 66.2334 32.2543 177.2837 141 E 4.1235 8.2205 118.4921 59.4465 29.8116 177.7543 142 D 4.7959 8.3956 116.6017 54.5714 40.6640 178.2112 143 A 3.9796 7.8532 124.2759 55.1612 17.9225 179.8284 144 E 4.0026 8.0183 116.0576 58.9176 29.6483 178.8459 145 H 4.2596 7.8146 116.6786 58.5059 29.0934 177.8085 146 V 3.2415 7.4850 120.6316 64.5409 31.2342 178.6485 147 K 3.8822 7.6530 118.9627 58.9903 31.9490 178.8409 148 E 3.9051 7.7224 118.7822 58.6813 29.5278 178.5931 149 A 3.8568 7.8111 121.1879 55.0446 18.3520 179.6472 150 F 4.4206 7.9517 116.3382 60.6251 38.7518 177.9902 151 R 2.8363 7.5140 117.2582 58.8118 30.1931 178.3403 152 R 3.9382 7.5380 117.1480 58.3094 30.1817 178.7616 153 A 4.0299 7.7467 121.1255 55.1205 18.2885 178.8860 154 Y 4.3802 7.9243 113.4134 58.8484 38.1471 176.4039 155 N 4.7900 7.6174 116.5293 54.4197 39.0387 175.7242 156 K 4.6532 8.0274 117.3208 55.6341 32.6198 175.7314 157 I 4.7617 7.4074 110.8264 59.1006 40.6776 175.0329 158 T 3.9789 8.9026 119.6706 66.5886 68.2938 173.0208 159 P 4.7344 0.0000 0.0000 62.5668 32.7889 175.3852 160 S 4.5596 8.4717 116.2166 58.2688 64.5983 173.2359 161 C 5.1837 7.9001 117.6360 58.5488 32.6913 173.4263 162 R 4.5625 8.8124 118.8694 54.7727 32.8232 175.7863 163 I 4.5283 8.4804 124.6956 60.1240 37.0830 173.1318 164 D 4.6846 8.6882 126.5338 53.0808 42.7443 174.6195 165 S 4.6367 8.6759 121.3041 58.9701 63.1726 171.9736 166 S 4.2144 9.6480 126.0772 59.6092 62.6415 175.0132 167 P 4.4718 0.0000 0.0000 63.8599 32.6445 176.4736 168 A 5.2262 7.8229 134.6330 52.4410 20.5097 176.6414 169 G 4.1984 8.3769 115.2199 46.3518 0.0000 172.6491 170 N 4.8557 7.9678 114.0964 51.9622 38.3367 175.4733 171 A 4.3146 7.5453 124.1482 52.2691 19.3735 176.3467 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 K 8.31 4.35 0.00 1.91 1.92 0.00 1.84 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.56 7.81 2 P 0.00 4.30 0.00 2.24 1.96 0.00 3.60 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 2.10 2.15 0.00 3 A 8.41 4.25 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 4 S 8.09 4.05 0.00 3.99 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 5 M 7.55 3.97 0.00 1.08 1.70 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 6 Y 7.78 4.86 0.00 2.91 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 7 R 7.91 4.37 0.00 2.01 2.27 0.00 3.12 0.00 0.00 3.31 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.61 0.00 8 D 7.82 4.99 0.00 2.67 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 9 I 7.98 4.36 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 1.49 0.56 0.93 0.00 0.00 10 D 7.82 4.79 0.00 2.72 2.74 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 11 K 7.76 4.24 0.00 1.77 1.75 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.44 7.81 12 P 0.00 4.45 0.00 2.09 2.03 0.00 3.66 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 2.04 2.09 0.00 13 A 8.44 4.32 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 14 Y 9.77 4.93 0.00 2.90 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 15 T 7.91 4.42 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 1.28 0.00 0.00 16 R 7.87 4.18 0.00 2.09 2.21 0.00 3.33 0.00 0.00 3.40 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 17 R 8.24 4.00 0.00 1.80 1.91 0.00 3.09 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 18 E 7.78 3.90 0.00 1.54 1.78 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 1.48 1.50 0.00 19 Y 7.81 4.83 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 20 I 7.15 4.63 1.72 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.54 0.86 0.00 0.00 21 T 7.95 4.63 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 22 G 8.64 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 0.00 0.00 0.00 23 I 7.68 4.14 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.59 0.88 0.00 0.00 24 P 0.00 4.34 0.00 2.00 2.00 0.00 3.64 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 25 G 8.30 3.83 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 0.00 0.00 0.00 26 S 8.31 4.43 0.00 3.89 3.82 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 27 K 8.62 4.14 0.00 1.65 1.78 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.32 7.81 28 I 7.50 3.96 1.82 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.44 0.65 0.00 0.00 29 A 9.80 4.17 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 Q 7.39 4.68 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.06 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 31 H 9.04 4.35 0.00 3.22 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.12 4.93 0.00 1.70 1.81 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.56 7.81 33 M 8.88 4.66 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 34 G 8.70 3.56 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 0.00 0.00 0.00 35 R 8.38 4.30 0.00 1.83 1.88 0.00 3.15 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 36 K 8.03 4.12 0.00 1.88 1.97 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.47 7.81 37 Q 7.99 4.07 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.09 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 38 K 7.52 4.22 0.00 1.69 1.95 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.29 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.41 1.41 7.81 39 D 8.37 4.78 0.00 2.88 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.22 3.60 0.33 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 41 D 7.93 4.50 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 42 D 7.78 4.55 0.00 2.44 2.39 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 43 Y 7.53 4.81 0.00 3.23 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 44 P 0.00 4.44 0.00 2.11 2.15 0.00 4.06 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 2.09 2.10 0.00 45 V 7.86 5.23 2.30 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 0.81 0.00 0.00 0.98 0.00 0.00 46 Q 8.67 4.86 0.00 2.36 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.63 0.00 0.00 0.00 0.00 0.00 2.30 2.18 0.00 47 I 8.54 4.97 1.79 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 1.24 0.60 1.06 0.00 0.00 48 S 9.11 5.31 0.00 3.77 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 49 L 8.78 4.67 0.00 0.55 1.23 0.96 1.08 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 50 I 8.45 5.43 1.86 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 1.08 0.36 0.97 0.00 0.00 51 V 8.26 3.96 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 1.00 0.00 0.00 0.88 0.00 0.00 52 E 8.92 3.81 0.00 1.99 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 2.30 2.23 0.00 53 E 7.91 4.79 0.00 1.78 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 2.18 2.27 0.00 54 T 8.48 4.36 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 1.27 0.00 0.00 55 V 8.77 4.62 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 0.70 0.00 0.00 0.96 0.00 0.00 56 Q 8.77 5.05 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 57 L 8.65 4.94 0.00 1.55 1.56 0.87 0.68 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 58 R 8.62 4.49 0.00 1.90 1.87 0.00 2.91 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 1.71 1.67 0.00 59 H 8.98 4.23 0.00 3.34 3.52 0.00 5.27 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.94 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 0.00 0.00 0.00 61 S 7.85 4.15 0.00 3.92 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 62 L 8.11 4.01 0.00 1.82 1.63 0.80 0.65 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 63 E 8.45 3.91 0.00 2.04 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 0.00 2.36 2.35 0.00 64 A 8.35 3.99 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 65 S 8.19 4.13 0.00 4.31 4.20 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 66 R 8.18 3.64 0.00 2.36 2.07 0.00 3.31 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.98 0.00 67 L 8.10 3.92 0.00 2.14 1.78 0.98 0.76 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 68 S 7.67 4.37 0.00 3.96 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 69 A 7.69 4.17 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 70 N 8.23 4.20 0.00 2.74 2.82 0.00 0.00 6.95 8.48 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 71 R 8.57 3.85 0.00 2.03 1.89 0.00 3.13 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 72 H 7.92 4.19 0.00 3.32 3.39 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.54 3.67 0.00 1.47 0.67 0.33 0.43 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 74 I 8.01 3.67 2.02 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 1.50 1.34 0.92 0.00 0.00 75 K 7.59 4.03 0.00 1.75 1.90 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.43 7.81 76 E 7.71 4.35 0.00 1.64 1.48 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 2.04 2.18 0.00 77 L 8.72 4.47 0.00 1.69 1.75 0.87 1.10 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 78 G 7.97 4.06 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 0.00 0.00 0.00 79 E 8.60 4.13 0.00 1.98 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 2.34 2.36 0.00 80 E 7.81 4.70 0.00 1.89 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 2.19 2.27 0.00 81 G 8.20 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 0.00 0.00 0.00 82 D 8.34 4.72 0.00 2.71 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 83 Y 7.21 4.78 0.00 3.09 2.98 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 84 K 8.58 4.88 0.00 1.88 2.00 0.00 1.82 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.09 1.42 7.81 85 M 9.04 5.26 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.70 0.00 86 T 9.16 5.22 4.43 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 1.35 0.00 0.00 87 L 8.78 4.90 0.00 1.83 1.56 0.23 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.44 4.25 0.00 1.91 2.12 0.00 3.15 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 89 K 7.81 4.54 0.00 1.62 1.74 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.33 7.81 90 F 8.51 4.78 0.00 2.81 2.74 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 91 P 0.00 5.26 0.00 2.16 2.08 0.00 3.44 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 92 H 8.15 4.36 0.00 3.21 3.40 0.00 5.70 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 93 Q 8.01 4.14 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.11 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 94 V 8.65 4.34 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 0.87 0.00 0.00 0.90 0.00 0.00 95 L 9.04 4.84 0.00 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7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 115 A 8.68 3.75 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.80 4.41 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 F 8.32 3.89 0.00 2.98 3.01 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 0.00 118 G 8.06 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 0.00 0.00 0.00 119 K 8.58 4.90 0.00 1.87 1.97 0.00 1.35 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.42 7.81 120 I 8.46 4.30 1.93 0.00 0.00 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 1.44 0.58 0.98 0.00 0.00 121 V 8.58 4.27 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 0.84 0.00 0.00 0.85 0.00 0.00 122 G 7.11 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 0.00 0.00 0.00 123 T 7.21 5.15 4.34 0.00 0.00 0.00 0.00 0.00 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 0.00 124 A 9.12 5.05 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 0.00 125 A 9.09 4.92 1.25 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 0.00 126 R 8.61 4.73 0.00 1.74 1.91 0.00 3.20 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 127 V 8.69 4.37 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 1.02 0.00 0.00 0.88 0.00 0.00 128 Q 9.02 4.57 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 129 A 8.54 4.09 1.29 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 0.00 0.00 130 G 9.54 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 0.00 0.00 0.00 131 E 7.66 4.41 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 2.30 2.46 0.00 132 Q 8.40 4.71 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 133 L 9.03 4.08 0.00 1.57 1.41 0.62 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 134 F 7.75 5.46 0.00 2.51 2.61 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 0.00 135 T 9.08 4.99 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 0.75 0.00 0.00 136 A 9.27 5.12 1.08 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 0.00 137 Y 8.77 5.21 0.00 2.43 2.69 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 0.00 138 C 8.96 5.06 0.00 2.98 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 0.00 139 N 8.89 5.10 0.00 2.77 2.84 0.00 0.00 6.42 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 0.00 140 V 8.55 3.50 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 0.84 0.00 0.00 1.03 0.00 0.00 141 E 8.22 4.12 0.00 2.03 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 2.33 2.35 0.00 142 D 8.40 4.80 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.85 3.98 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 0.00 144 E 8.02 4.00 0.00 1.86 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 2.34 2.28 0.00 145 H 7.81 4.26 0.00 3.22 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 7.49 3.24 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 0.62 0.00 0.00 0.18 0.00 0.00 147 K 7.65 3.88 0.00 1.85 1.86 0.00 1.93 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.62 7.81 148 E 7.72 3.91 0.00 2.11 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 2.18 2.09 0.00 149 A 7.81 3.86 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 0.00 150 F 7.95 4.42 0.00 3.15 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 0.00 151 R 7.51 2.84 0.00 1.84 1.87 0.00 3.22 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.64 0.00 152 R 7.54 3.94 0.00 1.94 1.82 0.00 2.97 0.00 0.00 3.05 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 153 A 7.75 4.03 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 0.00 154 Y 7.92 4.38 0.00 2.90 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 0.00 155 N 7.62 4.79 0.00 2.98 2.92 0.00 0.00 6.79 7.49 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 0.00 156 K 8.03 4.65 0.00 1.75 1.80 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.33 7.81 157 I 7.41 4.76 1.90 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 1.51 0.72 0.96 0.00 0.00 158 T 8.90 3.98 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 0.00 159 P 0.00 4.73 0.00 2.04 2.05 0.00 3.66 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 1.98 1.98 0.00 160 S 8.47 4.56 0.00 3.77 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 0.00 161 C 7.90 5.18 0.00 2.73 2.86 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 0.00 0.00 0.00 0.00 162 R 8.81 4.56 0.00 1.72 1.80 0.00 3.10 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 163 I 8.48 4.53 2.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.80 1.10 0.00 0.00 164 D 8.69 4.68 0.00 2.72 2.57 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 0.00 165 S 8.68 4.64 0.00 3.94 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 0.00 166 S 9.65 4.21 0.00 3.97 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 0.00 167 P 0.00 4.47 0.00 2.16 2.07 0.00 3.80 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 168 A 7.82 5.23 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 0.00 169 G 8.38 4.20 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 0.00 170 N 7.97 4.86 0.00 2.72 2.79 0.00 0.00 6.91 7.35 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 0.00 171 A 7.55 4.31 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 * Residues marked with a * may have inaccurate shift predictions.