NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3212 8.1133 117.4066 56.2429 31.5578 173.8946 3 T 4.4074 8.2687 117.8335 62.3480 69.0461 174.2693 4 L 4.2410 9.4634 133.8782 54.7759 44.3760 177.9494 *6 I 3.9034 8.3110 127.4508 62.4530 38.1295 174.9882 7 E 4.6102 8.5131 127.3273 53.9784 31.5733 174.4203 8 P 4.5976 0.0000 0.0000 62.4055 32.2341 175.9353 9 L 4.3277 8.4170 127.1216 55.2694 42.6580 176.3194 10 T 4.7203 8.2177 114.5553 58.8503 72.3179 174.7299 11 K 3.9678 8.8594 122.9701 59.7661 31.8881 179.3869 12 E 3.9919 8.1486 115.7240 59.5442 29.6225 178.5776 13 A 4.2988 8.0052 120.6478 54.0240 18.9267 178.4487 14 F 4.5554 8.3835 117.5182 58.7451 39.3946 177.1137 15 A 3.9486 7.7471 120.2964 56.2769 17.8922 179.3206 16 Q 3.6548 7.6103 115.4512 58.1332 29.3728 177.0674 17 F 4.7080 8.1124 118.1817 58.0849 40.2193 176.0455 18 G 4.2158 5.6165 103.9312 45.7891 0.0000 170.8785 19 D 5.1793 8.0847 120.1985 52.5561 44.7798 175.3233 20 V 4.3430 8.3037 120.9613 61.5221 33.2561 175.3981 21 I 4.3588 8.5369 130.4454 60.5818 37.4845 174.5105 22 E 4.8074 8.2503 123.6482 55.6884 32.0046 175.2676 23 T 3.2273 8.1243 109.9316 63.1945 69.6853 175.1010 24 D 4.4158 7.7824 121.8007 55.5735 40.9548 176.6776 25 G 3.9339 8.8423 111.3228 45.9477 0.0000 173.1951 26 S 4.7831 7.8452 115.3190 57.0499 64.1518 173.8819 27 D 4.9382 8.4948 122.8551 55.0462 42.1920 174.7104 28 H 4.5966 8.2432 114.9149 54.3271 30.8981 173.6921 29 F 4.5784 7.6174 118.0326 56.0315 41.2291 175.3522 *31 I 3.8965 8.3605 112.3635 60.7972 38.9075 174.2591 32 N 4.4657 9.1339 113.9566 55.2273 35.5061 174.4984 33 N 3.8803 9.1795 106.3549 54.3753 36.7073 176.0375 34 G 3.9398 8.0762 103.5577 45.9216 0.0000 175.2669 35 S 4.5893 7.8353 114.9802 59.1621 64.0654 174.4726 36 T 4.3146 7.2108 117.5888 62.1977 70.6763 173.4140 *38 R 3.7026 8.4139 125.4795 57.3081 31.2909 175.8906 39 F 4.6608 8.5696 126.4239 55.7064 38.0116 174.2997 40 H 4.1532 8.3603 122.5980 56.2047 29.7055 174.7394 41 K 3.7249 8.2794 125.3320 57.5892 30.2722 175.6009 42 L 4.2134 7.6505 118.0193 57.3748 42.4954 177.7770 43 A 4.7061 7.2071 116.1712 51.1215 22.2556 175.3569 44 T 4.5691 8.1985 116.4082 61.4609 71.3969 174.2512 45 V 3.8582 8.4462 126.3907 62.3672 32.3004 174.5677 46 E 4.9154 9.0373 126.1652 54.8067 31.8706 175.1046 47 T 5.1093 8.2904 111.4068 59.7664 71.6815 173.7010 48 A 4.2190 8.7373 125.1707 54.5404 19.0704 178.0600 49 E 4.7496 8.8343 113.8475 53.5443 33.1824 175.3451 50 P 4.3512 0.0000 0.0000 65.6155 31.5440 177.7111 51 E 4.0870 8.0968 117.7036 58.9496 29.6734 177.0317 52 D 4.7174 7.7712 117.9855 54.4416 41.7531 176.2036 53 K 4.7340 8.9989 120.1686 54.5829 35.6001 174.9803 54 A 5.0154 8.5352 125.3845 50.8540 20.0977 176.6030 55 I 4.6143 8.9126 116.2598 59.0419 41.2826 174.4066 56 I 4.9129 8.2593 123.7278 59.9319 39.3307 174.9880 57 S 4.8879 9.2358 122.0341 56.9512 68.0088 172.6365 58 I 5.0892 8.3909 120.3189 59.7927 40.2192 175.2154 59 F 5.0236 9.5202 125.7117 55.8802 41.4106 174.6930 60 R 4.9930 8.9252 124.1651 54.8331 31.0547 174.2542 61 A 4.9401 9.0506 128.4321 50.3009 21.7954 175.1592 62 D 5.3809 8.5848 119.8184 52.6390 42.8898 176.5449 63 A 4.5903 8.5868 123.1528 51.8885 19.1307 177.2490 64 Q 4.5460 8.4197 118.3647 54.0419 30.8478 176.1531 65 D 4.5105 8.2664 120.5848 53.5777 41.6907 173.8195 *67 P 4.2034 0.0000 0.0000 62.9195 32.4009 175.1598 68 L 4.5802 8.4686 122.2090 54.0530 44.1614 175.3961 69 T 4.7789 8.3533 122.8096 62.0002 69.3622 174.9073 70 V 3.7822 8.8973 128.6963 63.1807 31.5755 176.0201 71 R 4.4800 8.7758 126.6776 56.6293 31.0713 176.0510 *73 L 4.5696 7.4509 118.1137 54.5081 43.6884 175.2610 74 E 5.5726 9.2880 118.5676 54.8718 33.5502 174.5041 75 R 4.2462 8.4311 115.2954 54.9751 33.5998 173.8865 76 H 5.3872 8.5421 117.3199 52.3653 29.7487 172.9752 77 P 4.2473 0.0000 0.0000 64.5129 31.6600 177.5459 78 L 4.5289 8.2353 118.5284 54.0274 41.9867 175.4626 79 G 4.3691 7.3221 104.8927 45.5949 0.0000 173.3152 80 S 4.8747 8.3970 116.2065 57.8132 65.6290 173.0184 81 Q 4.6573 8.9807 120.3268 54.9110 32.5016 172.8761 82 A 5.3191 9.1614 128.6745 50.1746 22.2923 174.9896 83 F 4.9351 9.3444 119.8941 55.6305 42.5061 174.3292 84 I 4.8964 8.7175 124.6077 58.5751 40.2416 173.5024 85 P 4.2992 0.0000 0.0000 63.0301 31.3155 176.2049 86 L 4.4696 8.1796 121.9818 54.5774 43.1058 177.4658 87 L 4.3670 7.7237 117.2426 53.9406 41.8267 177.5152 88 G 3.9353 7.9906 106.4802 45.7776 0.0000 172.9230 89 N 4.8919 7.3303 118.2848 51.4646 39.9859 173.3570 90 P 5.1047 0.0000 0.0000 63.2336 32.6564 174.8750 91 F 5.1174 8.3624 114.4016 56.1336 41.8487 172.7865 92 L 5.0963 8.8279 119.2217 53.3972 43.9405 176.5712 93 I 4.7359 8.6600 121.5294 59.6946 41.5984 174.4105 94 V 4.8962 8.5480 125.9540 61.2848 34.4179 174.5919 95 V 5.1380 8.8272 119.6172 60.0823 36.6854 173.8379 96 A 5.0713 8.9223 122.1345 49.7932 22.7436 174.3752 97 P 4.6836 0.0000 0.0000 62.5099 32.2863 176.8598 98 V 3.9597 8.6705 114.7659 61.2056 32.1826 176.1526 99 G 4.4219 8.8126 114.8887 45.2508 0.0000 172.2220 100 D 4.6312 8.6142 120.0234 57.0088 41.0171 177.4674 101 A 4.2533 7.5257 119.0472 49.2207 22.1349 173.7813 102 P 3.8204 0.0000 0.0000 62.4169 31.9476 176.1362 103 V 3.9452 8.1758 121.9746 61.6257 32.2906 175.9417 104 S 3.6176 9.0588 122.8721 61.4547 62.0417 176.2056 105 G 3.7469 7.9727 105.6359 47.0497 0.0000 173.5304 106 L 4.5698 7.6457 118.7053 54.2171 42.6262 176.8676 107 V 4.0035 7.3748 120.0277 63.1466 32.0275 175.4327 108 R 4.6875 9.2570 125.3972 54.1712 34.5014 174.0705 109 A 5.0777 7.9572 122.0138 50.2185 22.1261 175.1463 110 F 5.3231 9.4591 120.3336 55.5171 43.7812 174.1191 111 R 4.7664 8.7922 121.3136 54.5364 32.6244 174.7651 112 S 4.6844 8.4649 122.3073 57.7527 63.5900 174.1146 113 N 4.5148 9.0380 122.6410 53.1031 37.4906 175.7241 114 G 4.3510 8.3629 108.3382 46.7812 0.0000 175.3780 115 R 4.6434 8.4492 116.6693 55.6870 30.5681 175.3086 116 Q 4.7886 8.0031 116.7651 54.0993 31.8322 175.0915 117 G 4.3712 9.0961 110.6037 44.6876 0.0000 172.1431 118 V 4.9120 8.8854 111.8098 59.4345 36.6068 174.6682 119 N 5.3086 9.0301 121.8103 51.9941 41.8946 172.8703 120 Y 5.0807 9.0423 125.7806 57.8864 39.2949 175.5101 121 H 4.9156 9.1456 121.8558 55.2943 30.3822 175.1584 122 R 4.2928 8.3421 121.0704 57.6214 30.1341 177.1343 123 G 3.7968 8.6055 113.9185 45.0920 0.0000 173.7663 124 V 3.8042 7.3423 120.2694 62.5764 32.2390 175.8421 125 W 4.4914 8.7221 128.6311 56.9735 30.3419 175.0080 126 H 5.2293 9.1742 118.4340 54.8927 31.6228 171.9343 127 H 4.9264 8.6062 119.7901 54.1031 31.0678 173.2878 128 P 4.2840 0.0000 0.0000 62.6506 31.7730 176.2838 129 V 3.1668 7.9332 119.6894 61.6210 31.7775 175.3819 130 L 4.7984 8.6337 124.5950 53.1095 44.0138 176.0341 131 T 4.7925 8.5588 114.6079 61.5190 70.4594 175.4911 132 I 4.1269 8.4389 122.1247 63.0216 38.6154 176.8431 133 E 4.3353 7.9572 117.8138 55.4152 30.3294 176.5578 134 K 4.1407 8.7146 120.2514 60.0728 33.3519 176.6673 135 R 5.1350 7.7508 118.2130 54.6769 33.3792 173.6851 136 D 4.7235 9.2003 123.6136 53.0150 45.6038 173.1933 137 D 5.5649 8.2751 122.3915 52.5856 43.8917 175.2326 138 F 5.1313 9.2530 120.9351 55.5382 43.4304 173.5732 139 L 4.7325 9.0164 125.2610 54.0945 43.6555 175.3239 140 V 4.8923 8.6854 125.9534 59.9423 34.6166 174.2166 141 V 4.8847 8.0024 126.7045 61.3315 34.3773 173.6808 142 D 4.9535 8.5362 127.0433 51.4243 43.3548 173.6119 143 R 4.7870 8.4778 118.4331 55.6742 31.3695 175.7140 144 S 4.6258 8.9678 121.0070 56.8209 65.0416 173.3090 145 G 4.2655 8.0933 112.8323 46.5072 0.0000 172.2117 146 S 4.4803 8.7943 115.4098 57.7263 64.4100 173.7223 147 G 3.7640 8.5361 107.4669 44.6517 0.0000 171.9169 148 N 4.6431 8.3102 117.1745 52.7611 38.6527 174.2108 149 N 4.9114 8.2890 126.0810 52.6878 39.7305 173.2596 150 C 4.6844 8.5346 116.1763 58.8427 34.0450 172.1791 151 D 5.0343 8.8570 127.4882 52.7042 42.8199 175.5574 152 E 5.2387 8.8928 121.6199 54.8134 32.3342 174.7856 153 H 4.7321 8.9971 123.7985 54.4687 32.4732 171.9328 154 Y 4.5059 8.2493 123.1074 56.1372 39.2799 175.8477 155 F 4.7230 8.5549 123.6981 57.3584 40.2254 175.5499 156 T 4.3428 8.8751 111.5858 60.8700 69.8298 175.6435 157 E 3.9866 8.8855 121.2644 59.8295 29.3766 179.0580 158 E 4.0981 8.1438 115.6037 58.4931 29.9583 177.7252 159 Q 4.1111 7.4716 119.7986 54.1107 27.4749 174.6165 *161 L 4.2542 7.4331 120.1944 54.4369 44.4205 175.7366 162 I 4.7844 8.3204 121.6876 59.4856 40.0028 174.4081 163 L 4.6883 9.0888 129.9583 53.5115 43.6358 174.2788 164 N 5.0737 8.3995 126.2581 50.7301 38.3221 171.7762 165 P 4.3802 0.0000 0.0000 62.3313 32.7561 177.1809 166 H 4.5441 8.4405 115.9468 56.1684 29.3472 173.6831 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 R 8.11 4.32 0.00 1.85 2.06 0.00 2.86 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 3 T 8.27 4.41 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 1.22 0.00 0.00 4 L 9.46 4.24 0.00 1.39 1.37 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 *6 I 8.31 3.90 1.82 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 1.27 0.41 0.86 0.00 0.00 7 E 8.51 4.61 0.00 1.81 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 0.00 2.14 2.12 0.00 8 P 0.00 4.60 0.00 1.97 1.99 0.00 3.72 0.00 0.00 3.59 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 9 L 8.42 4.33 0.00 1.57 1.63 -0.07 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.22 4.72 4.49 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 1.24 0.00 0.00 11 K 8.86 3.97 0.00 1.84 1.93 0.00 1.69 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.63 7.81 12 E 8.15 3.99 0.00 2.15 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 2.36 0.00 13 A 8.01 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.38 4.56 0.00 2.74 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 15 A 7.75 3.95 1.40 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 0.00 0.00 0.00 16 Q 7.61 3.65 0.00 1.67 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 1.68 2.15 0.00 17 F 8.11 4.71 0.00 1.57 2.65 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 18 G 5.62 4.22 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 0.00 19 D 8.08 5.18 0.00 2.70 2.67 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 20 V 8.30 4.34 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 0.76 0.00 0.00 0.74 0.00 0.00 21 I 8.54 4.36 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 1.27 0.38 0.89 0.00 0.00 22 E 8.25 4.81 0.00 1.81 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 2.11 2.30 0.00 23 T 8.12 3.23 2.79 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 0.00 0.00 0.49 0.00 0.00 24 D 7.78 4.42 0.00 2.59 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.84 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.85 4.78 0.00 4.13 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 27 D 8.49 4.94 0.00 2.73 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 28 H 8.24 4.60 0.00 2.35 2.33 0.00 5.48 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 7.62 4.58 0.00 2.93 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *31 I 8.36 3.90 1.93 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 1.48 0.60 1.08 0.00 0.00 32 N 9.13 4.47 0.00 2.90 2.88 0.00 0.00 6.87 6.92 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 33 N 9.18 3.88 0.00 2.85 2.89 0.00 0.00 7.34 7.65 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 34 G 8.08 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 35 S 7.84 4.59 0.00 4.00 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 36 T 7.21 4.31 4.22 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 1.19 0.00 0.00 *38 R 8.41 3.70 0.00 1.60 1.00 0.00 3.13 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.49 0.00 39 F 8.57 4.66 0.00 2.96 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 40 H 8.36 4.15 0.00 2.96 3.36 0.00 6.07 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.28 3.72 0.00 1.58 1.66 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.39 7.81 42 L 7.65 4.21 0.00 1.69 1.73 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.21 4.71 1.21 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 0.00 0.00 44 T 8.20 4.57 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 1.21 0.00 0.00 45 V 8.45 3.86 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 0.81 0.00 0.00 0.92 0.00 0.00 46 E 9.04 4.92 0.00 2.05 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 2.22 2.24 0.00 47 T 8.29 5.11 4.42 0.00 0.00 0.00 0.00 0.00 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 48 A 8.74 4.22 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 49 E 8.83 4.75 0.00 2.10 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 2.21 2.35 0.00 50 P 0.00 4.35 0.00 2.17 2.19 0.00 3.77 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 1.99 1.99 0.00 51 E 8.10 4.09 0.00 1.96 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 2.39 0.00 52 D 7.77 4.72 0.00 2.68 2.60 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 0.00 0.00 0.00 0.00 53 K 9.00 4.73 0.00 1.62 1.66 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.49 7.81 54 A 8.54 5.02 1.21 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 0.00 0.00 55 I 8.91 4.61 1.87 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 1.34 0.82 0.91 0.00 0.00 56 I 8.26 4.91 1.85 0.00 0.00 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 1.31 0.63 0.88 0.00 0.00 57 S 9.24 4.89 0.00 3.78 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 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0.00 5.44 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.61 4.93 0.00 3.18 3.23 0.00 5.97 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 0.00 128 P 0.00 4.28 0.00 2.01 1.99 0.00 3.02 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.26 0.00 129 V 7.93 3.17 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 0.81 0.00 0.00 0.12 0.00 0.00 130 L 8.63 4.80 0.00 1.82 1.68 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 131 T 8.56 4.79 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 1.59 0.00 0.00 132 I 8.44 4.13 2.11 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 1.46 0.72 0.95 0.00 0.00 133 E 7.96 4.34 0.00 1.98 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 2.36 0.00 134 K 8.71 4.14 0.00 1.85 2.11 0.00 1.48 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.47 7.81 135 R 7.75 5.13 0.00 1.80 1.78 0.00 3.23 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.78 0.00 136 D 9.20 4.72 0.00 2.72 2.34 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 0.00 137 D 8.28 5.56 0.00 2.55 2.46 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 0.00 138 F 9.25 5.13 0.00 2.88 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 0.00 139 L 9.02 4.73 0.00 1.68 1.47 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.69 4.89 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 0.28 0.00 0.00 -0.81 0.00 0.00 141 V 8.00 4.88 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 1.00 0.00 0.00 0.85 0.00 0.00 142 D 8.54 4.95 0.00 2.76 2.67 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 0.00 143 R 8.48 4.79 0.00 1.83 1.84 0.00 3.32 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 144 S 8.97 4.63 0.00 3.84 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 0.00 145 G 8.09 4.27 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 0.00 146 S 8.79 4.48 0.00 3.99 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 0.00 147 G 8.54 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 0.00 0.00 0.00 148 N 8.31 4.64 0.00 2.68 2.75 0.00 0.00 6.60 7.79 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 0.00 149 N 8.29 4.91 0.00 2.77 2.66 0.00 0.00 6.60 7.65 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 0.00 150 C 8.53 4.68 0.00 3.07 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 0.00 151 D 8.86 5.03 0.00 2.38 2.67 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 0.00 152 E 8.89 5.24 0.00 1.94 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 2.19 2.31 0.00 153 H 9.00 4.73 0.00 2.73 2.36 0.00 5.72 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 8.25 4.51 0.00 2.75 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 0.00 155 F 8.55 4.72 0.00 2.98 2.89 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 0.00 156 T 8.88 4.34 4.28 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 0.00 0.00 0.00 1.31 0.00 0.00 157 E 8.89 3.99 0.00 1.99 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 0.00 2.35 2.37 0.00 158 E 8.14 4.10 0.00 1.95 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 2.30 2.33 0.00 159 Q 7.47 4.11 0.00 2.30 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.50 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 *161 L 7.43 4.25 0.00 1.49 1.51 0.83 0.41 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 0.00 162 I 8.32 4.78 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.88 0.00 0.00 163 L 9.09 4.69 0.00 1.63 1.58 0.86 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 164 N 8.40 5.07 0.00 2.66 2.60 0.00 0.00 7.26 7.69 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 0.00 165 P 0.00 4.38 0.00 2.19 1.99 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 166 H 8.44 4.54 0.00 3.13 3.16 0.00 5.73 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 * Residues marked with a * may have inaccurate shift predictions.