NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4736 8.2893 120.3279 55.1890 32.3740 174.3254 2 R 4.5400 8.4213 120.3175 53.4221 32.0209 172.7097 3 N 5.3287 9.0458 123.3770 51.5483 42.2911 174.1390 4 E 5.4541 8.8857 121.8036 55.1031 33.2980 174.2168 5 M 4.5763 8.6812 119.9912 54.2755 36.1855 173.3741 6 H 5.3395 8.5017 120.5026 54.0192 32.7590 172.4208 7 L 4.9266 9.3385 124.8962 53.3749 45.1851 175.0646 8 Q 5.1905 8.7520 124.0523 54.3691 32.3425 174.4209 9 F 4.9582 8.2868 115.6719 55.6477 41.6611 173.5440 10 S 4.4348 8.9953 115.8840 58.9967 63.3190 175.5552 11 A 4.5542 8.6686 126.4351 51.2986 16.2475 176.3197 12 R 4.7158 7.8533 120.3410 53.0526 33.9692 177.7392 13 S 4.5898 8.9366 118.2663 60.9012 62.7143 176.4233 14 E 4.1241 8.1703 120.3090 58.5795 29.4016 177.7344 15 N 4.4739 8.1855 116.6577 54.0824 38.6384 176.7402 16 E 3.9657 8.0593 121.6147 59.4809 29.5552 179.0397 17 S 4.0690 7.9924 112.5709 61.3609 62.5838 175.6120 18 F 4.1262 7.7063 123.0968 61.3586 39.0271 176.9971 19 A 3.5297 8.0069 120.5014 54.8019 18.1376 179.8203 20 R 3.7674 7.8075 116.5862 59.3249 30.1144 179.2555 21 V 3.5178 7.7838 117.9989 66.3746 31.5211 178.0493 22 T 3.7003 7.4810 115.1101 66.7194 68.2022 176.8186 23 V 3.6165 7.6375 119.7856 65.8067 31.4931 177.9039 24 A 3.9400 8.0894 120.3525 55.1170 18.0423 179.2956 25 A 3.9448 8.0664 118.4348 55.4716 18.1891 179.3825 26 F 4.2910 8.3466 119.0719 61.3908 39.5414 177.5853 27 V 3.6164 8.3100 117.5694 65.2571 31.2391 177.7030 28 A 4.0042 8.1461 121.1301 54.9633 17.9172 179.1346 29 Q 3.9418 7.3880 114.1956 58.6138 28.4727 177.9887 30 L 4.3110 7.6775 119.0960 53.2914 43.4949 175.7166 31 D 4.2879 8.2094 118.9742 54.5798 38.2654 171.0681 32 P 4.7132 0.0000 0.0000 61.4356 33.7501 177.0756 33 T 4.1671 8.6961 110.5731 61.5858 70.7452 175.4912 34 M 4.0584 8.4156 120.8173 58.6324 31.9389 178.8142 35 D 4.2673 7.9365 118.6539 57.2957 41.0583 178.4723 36 E 3.8775 8.1546 119.2387 59.2030 29.3567 179.1598 37 L 3.9457 7.9578 120.4827 58.2719 42.0401 179.1889 38 T 3.8133 8.0061 115.8619 66.5035 68.3299 176.4824 39 E 3.5553 7.9801 120.3957 59.2980 29.4552 179.4090 40 I 3.6890 7.7214 119.6374 64.5018 37.2246 178.5505 41 K 3.9525 8.2116 119.3034 59.7911 31.7553 179.6156 42 T 3.9099 8.2173 116.0068 66.9036 68.5227 177.3375 43 V 3.6467 8.1266 114.3739 64.2705 31.4635 178.8924 44 V 3.6098 7.9039 118.2074 66.0178 31.3157 178.0255 45 S 4.1404 8.0542 112.9185 61.3063 61.6729 175.9696 46 E 3.8596 8.4701 121.1981 59.3866 29.2901 179.1734 47 A 3.9254 7.9922 120.6137 55.2518 18.4811 179.8928 48 V 3.6546 8.2793 117.1976 66.4728 31.5987 178.4116 49 T 3.9354 8.2452 115.7773 66.5327 68.1479 176.4257 50 N 4.2999 8.3904 118.3773 56.2222 38.5251 177.1440 51 A 4.1221 7.8804 123.3839 54.7097 18.4362 179.6554 52 I 3.8376 7.8113 118.4012 64.6878 37.1742 178.7641 53 I 3.9347 8.0691 113.8140 63.4132 37.4086 177.3123 54 H 4.6655 8.1502 116.8727 57.5291 29.8079 177.3610 55 G 3.4815 7.8806 106.8154 47.5565 0.0000 174.3813 56 Y 4.7682 7.9647 117.3306 55.9878 38.7014 175.4593 57 N 4.4955 9.0079 115.4276 53.4349 36.2685 174.3845 58 N 4.2212 8.7486 110.9321 53.8121 37.4167 174.3658 59 D 4.5098 8.1817 120.0749 52.9754 40.9739 175.2281 60 P 4.7369 0.0000 0.0000 64.2119 31.3749 176.8822 61 N 4.4434 8.1053 115.7402 54.8038 39.1830 175.6287 62 G 2.5577 7.5812 106.3148 45.6221 0.0000 172.7123 63 I 4.7342 7.4555 122.2277 59.1467 39.6001 175.1319 64 V 4.2493 8.2727 128.0082 61.6337 33.0643 174.4252 65 S 5.1257 8.9149 122.6115 56.5223 65.2500 172.6464 66 I 5.2652 9.2703 127.3219 59.7413 41.2340 174.6028 67 S 5.0721 9.0001 120.3888 56.8625 67.3138 173.2561 68 V 4.8035 9.0565 123.8618 61.3766 34.3744 173.9686 69 I 4.9109 8.9068 129.6366 59.6940 39.7138 174.7472 70 I 4.9492 9.2983 128.5580 59.5406 39.7068 174.6105 71 E 4.7125 9.0746 128.3479 55.0271 33.0313 174.8803 72 D 4.1401 9.4733 128.0405 55.6421 38.1660 174.8910 73 G 3.8795 7.9348 104.9892 45.8617 0.0000 172.7924 74 V 4.3365 7.4511 120.8244 61.4723 33.6453 174.6532 75 V 4.6571 8.3754 128.0225 61.8486 33.2834 174.1532 76 H 5.1544 9.3320 126.8228 54.3685 30.4185 173.4447 77 L 5.1100 8.8347 127.1474 53.4918 44.4333 175.1562 78 T 5.1852 9.0544 122.8420 61.8459 72.0247 172.9136 79 V 5.0433 8.9307 127.2220 61.0466 34.0635 174.5960 80 R 5.3912 9.1860 123.6807 54.9632 33.4102 173.3677 81 D 5.1257 9.0714 118.6590 51.7145 43.5837 174.8610 82 E 4.8216 8.8356 117.1327 55.0858 29.8714 176.9384 83 G 3.7592 8.2358 111.9082 45.0335 0.0000 175.2876 84 V 3.5390 8.0402 112.0610 62.5248 31.7181 177.5092 85 G 4.1359 7.3834 106.4001 45.1008 0.0000 172.4990 86 I 4.4353 8.3327 119.5240 58.6575 38.9361 174.2417 87 P 4.2139 0.0000 0.0000 65.1082 31.6541 177.1504 88 D 4.7341 7.6688 123.6764 51.8761 42.3598 176.0473 89 I 3.5629 8.0917 128.1912 64.2491 37.0578 177.4193 90 E 3.8002 8.1589 118.0258 59.4435 29.6535 178.0151 91 E 4.0131 8.0296 117.4707 59.3596 29.4977 178.6368 92 A 4.1001 7.6019 118.9425 55.0479 18.4885 179.1266 93 R 4.0970 7.3532 114.3559 56.4786 30.2611 176.6056 94 Q 4.2638 7.5175 119.5154 54.0977 29.2059 174.1710 95 P 5.1848 0.0000 0.0000 62.4108 31.1858 176.6596 *103 L 4.1711 8.4161 121.7680 53.5974 43.4621 178.0387 104 E 3.7938 8.3693 116.2475 56.5031 26.7615 174.0558 105 R 4.3328 7.2890 119.3912 55.5617 30.8339 176.8354 106 S 4.2981 8.7487 116.8424 58.2849 64.1292 174.9681 107 G 3.9629 8.1123 108.2658 46.9762 0.0000 174.5562 108 M 4.4779 7.8970 119.9810 55.5177 32.6965 177.9280 109 G 3.7682 8.0001 105.6527 49.3784 0.0000 175.5098 110 F 4.3206 7.8459 119.7714 60.0065 39.0158 177.9408 111 T 3.8864 7.9479 114.9803 66.5964 68.2315 176.5314 112 I 3.2501 7.9030 121.9450 64.4974 37.1013 178.2869 113 M 4.0227 7.8556 119.4333 58.5205 31.5919 178.5205 114 E 3.9559 8.3271 118.5263 59.0827 29.8540 178.1979 115 N 4.4579 8.1566 116.5334 56.9101 39.2306 176.8057 116 F 4.6995 8.1974 118.0685 59.4170 39.2312 175.6805 117 M 4.5654 7.3299 116.7252 54.0515 33.4552 175.8516 118 D 4.6513 8.3792 120.1014 56.2660 41.8920 176.5233 119 E 4.7250 7.6591 118.2701 55.0089 33.2924 174.0236 120 V 4.8552 8.3641 125.5701 61.5292 34.5920 174.0204 121 I 4.5825 9.2681 129.5189 59.5001 39.8159 174.6881 122 V 4.8404 8.4825 126.8045 61.1322 33.5994 174.4459 123 E 4.8306 9.2005 127.0443 54.8032 32.9438 174.8231 124 S 5.0551 8.5178 116.3962 57.7509 65.9726 173.3951 125 E 4.6552 8.8103 122.9762 54.8259 34.1212 175.0918 126 V 3.8820 8.6564 124.0591 64.9286 31.7855 175.0231 127 N 4.3116 9.1839 123.0390 54.3130 36.7104 174.3486 128 K 4.3341 9.4425 115.4298 57.7252 34.6913 177.7291 129 G 4.1429 6.7246 103.5632 44.7446 0.0000 170.8185 130 T 5.1191 8.0309 115.0702 62.0793 72.9876 173.7762 131 T 5.0063 9.3573 121.1710 61.8444 72.6432 172.8917 132 V 4.7901 9.3349 126.8571 61.3338 34.2227 173.4095 133 Y 5.1284 9.4480 130.3219 56.1381 40.4653 174.1975 134 L 5.0124 9.0649 127.3210 52.6723 45.5788 175.5014 135 K 4.7912 8.5137 122.4700 54.4164 35.9911 174.6840 136 K 4.8963 8.7328 127.6886 55.0163 34.8853 174.7096 137 H 5.0042 11.2100 124.2640 54.5755 31.0507 174.4464 138 G 3.6376 8.4595 105.9590 49.0873 0.0000 173.9510 139 I 3.6181 7.4347 117.7038 61.0205 39.6572 173.7209 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 M 8.29 4.47 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 R 8.42 4.54 0.00 1.96 1.89 0.00 3.07 0.00 0.00 3.59 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.79 0.00 3 N 9.05 5.33 0.00 2.76 2.63 0.00 0.00 6.24 7.25 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 4 E 8.89 5.45 0.00 1.93 1.92 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 2.22 2.31 0.00 5 M 8.68 4.58 0.00 0.63 0.57 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.30 0.00 6 H 8.50 5.34 0.00 3.01 3.12 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.34 4.93 0.00 1.68 1.54 1.17 0.42 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 8 Q 8.75 5.19 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.51 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 9 F 8.29 4.96 0.00 3.19 3.28 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 0.00 10 S 9.00 4.43 0.00 3.83 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 11 A 8.67 4.55 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 12 R 7.85 4.72 0.00 1.89 2.06 0.00 3.15 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 13 S 8.94 4.59 0.00 4.12 4.15 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 0.00 0.00 0.00 14 E 8.17 4.12 0.00 2.17 2.25 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 2.34 2.31 0.00 15 N 8.19 4.47 0.00 3.02 2.45 0.00 0.00 6.83 7.26 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 16 E 8.06 3.97 0.00 2.18 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 2.37 2.39 0.00 17 S 7.99 4.07 0.00 3.89 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 18 F 7.71 4.13 0.00 2.94 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 19 A 8.01 3.53 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 20 R 7.81 3.77 0.00 2.02 1.96 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 21 V 7.78 3.52 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 1.10 0.00 0.00 0.98 0.00 0.00 22 T 7.48 3.70 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 1.02 0.00 0.00 23 V 7.64 3.62 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 1.12 0.00 0.00 0.94 0.00 0.00 24 A 8.09 3.94 1.38 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 0.00 0.00 25 A 8.07 3.94 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 26 F 8.35 4.29 0.00 3.19 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 27 V 8.31 3.62 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 0.93 0.00 0.00 1.02 0.00 0.00 28 A 8.15 4.00 1.39 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 0.00 0.00 29 Q 7.39 3.94 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 30 L 7.68 4.31 0.00 1.69 1.69 0.87 0.81 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 31 D 8.21 4.29 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 32 P 0.00 4.71 0.00 2.13 2.09 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 33 T 8.70 4.17 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 34 M 8.42 4.06 0.00 2.01 2.13 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 2.67 2.55 0.00 35 D 7.94 4.27 0.00 2.65 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 36 E 8.15 3.88 0.00 2.11 1.94 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 2.27 2.26 0.00 37 L 7.96 3.95 0.00 1.94 1.72 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.01 3.81 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 1.15 0.00 0.00 39 E 7.98 3.56 0.00 1.97 1.68 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 1.47 2.13 0.00 40 I 7.72 3.69 1.99 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 1.67 0.97 0.92 0.00 0.00 41 K 8.21 3.95 0.00 2.01 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.58 7.81 42 T 8.22 3.91 4.65 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 1.36 0.00 0.00 43 V 8.13 3.65 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 1.10 0.00 0.00 1.06 0.00 0.00 44 V 7.90 3.61 2.25 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 1.03 0.00 0.00 0.98 0.00 0.00 45 S 8.05 4.14 0.00 4.10 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 46 E 8.47 3.86 0.00 2.09 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 2.59 2.40 0.00 47 A 7.99 3.93 1.32 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 48 V 8.28 3.65 2.27 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 1.33 0.00 0.00 1.15 0.00 0.00 49 T 8.25 3.94 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 1.18 0.00 0.00 50 N 8.39 4.30 0.00 2.83 2.83 0.00 0.00 6.88 7.51 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 51 A 7.88 4.12 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 52 I 7.81 3.84 2.06 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 1.74 0.88 0.98 0.00 0.00 53 I 8.07 3.93 1.78 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 1.56 0.54 0.92 0.00 0.00 54 H 8.15 4.67 0.00 3.27 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.88 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 7.96 4.77 0.00 3.18 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 57 N 9.01 4.50 0.00 2.88 2.89 0.00 0.00 7.32 8.00 0.00 0.00 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 N 8.75 4.22 0.00 2.87 2.96 0.00 0.00 6.79 7.82 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 59 D 8.18 4.51 0.00 2.79 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 60 P 0.00 4.74 0.00 2.19 2.16 0.00 3.41 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 61 N 8.11 4.44 0.00 2.85 2.83 0.00 0.00 6.93 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 62 G 7.58 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 0.00 0.00 0.00 63 I 7.46 4.73 1.80 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 1.08 0.91 0.82 0.00 0.00 64 V 8.27 4.25 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 0.00 0.00 0.77 0.00 0.00 1.00 0.00 0.00 65 S 8.91 5.13 0.00 3.86 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 66 I 9.27 5.27 1.96 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.63 0.95 0.00 0.00 67 S 9.00 5.07 0.00 3.82 3.79 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 0.00 68 V 9.06 4.80 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 1.35 0.00 0.00 0.94 0.00 0.00 69 I 8.91 4.91 1.98 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 1.32 0.97 0.97 0.00 0.00 70 I 9.30 4.95 1.84 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.01 0.87 0.00 0.00 71 E 9.07 4.71 0.00 2.06 1.82 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 2.24 2.32 0.00 72 D 9.47 4.14 0.00 2.89 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 73 G 7.93 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 0.00 0.00 0.00 74 V 7.45 4.34 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 0.82 0.00 0.00 1.03 0.00 0.00 75 V 8.38 4.66 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.92 0.00 0.00 76 H 9.33 5.15 0.00 3.32 3.55 0.00 5.63 0.00 0.00 0.00 0.00 6.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.83 5.11 0.00 1.71 1.45 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 78 T 9.05 5.19 4.35 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 1.31 0.00 0.00 79 V 8.93 5.04 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 1.03 0.00 0.00 0.97 0.00 0.00 80 R 9.19 5.39 0.00 1.85 1.97 0.00 2.81 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 81 D 9.07 5.13 0.00 2.18 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 82 E 8.84 4.82 0.00 2.06 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 2.26 2.23 0.00 83 G 8.24 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 84 V 8.04 3.54 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 0.66 0.00 0.00 1.00 0.00 0.00 85 G 7.38 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 86 I 8.33 4.44 1.87 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.74 0.91 0.00 0.00 87 P 0.00 4.21 0.00 2.03 2.11 0.00 3.61 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 88 D 7.67 4.73 0.00 2.68 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 89 I 8.09 3.56 1.79 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 1.46 1.06 0.73 0.00 0.00 90 E 8.16 3.80 0.00 1.88 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 91 E 8.03 4.01 0.00 2.29 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 0.00 2.30 2.32 0.00 92 A 7.60 4.10 1.38 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 0.00 0.00 93 R 7.35 4.10 0.00 1.73 1.86 0.00 2.98 0.00 0.00 2.93 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.37 0.00 94 Q 7.52 4.26 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 95 P 0.00 5.18 0.00 2.04 2.00 0.00 3.76 0.00 0.00 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 *103 L 8.42 4.17 0.00 1.74 1.76 0.93 1.01 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 0.00 104 E 8.37 3.79 0.00 2.14 2.13 0.00 0.00 0.00 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 2.26 0.00 105 R 7.29 4.33 0.00 2.01 1.88 0.00 3.38 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 106 S 8.75 4.30 0.00 3.96 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.11 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 0.00 108 M 7.90 4.48 0.00 1.99 2.06 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 2.51 2.83 0.00 109 G 8.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 F 7.85 4.32 0.00 3.18 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 0.00 111 T 7.95 3.89 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 1.16 0.00 0.00 112 I 7.90 3.25 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.70 0.40 0.00 0.00 113 M 7.86 4.02 0.00 2.12 2.32 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.54 0.00 114 E 8.33 3.96 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 115 N 8.16 4.46 0.00 2.74 2.59 0.00 0.00 7.29 7.06 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 0.00 116 F 8.20 4.70 0.00 3.07 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 M 7.33 4.57 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.75 0.00 118 D 8.38 4.65 0.00 2.46 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 0.00 119 E 7.66 4.72 0.00 2.03 1.69 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 2.35 2.35 0.00 120 V 8.36 4.86 2.24 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 0.95 0.00 0.00 0.93 0.00 0.00 121 I 9.27 4.58 2.10 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 1.45 1.15 0.96 0.00 0.00 122 V 8.48 4.84 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.89 0.00 0.00 123 E 9.20 4.83 0.00 1.91 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 2.21 2.22 0.00 124 S 8.52 5.06 0.00 3.84 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.81 4.66 0.00 1.93 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 126 V 8.66 3.88 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 0.84 0.00 0.00 0.92 0.00 0.00 127 N 9.18 4.31 0.00 2.86 2.89 0.00 0.00 6.84 7.61 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 0.00 128 K 9.44 4.33 0.00 1.91 1.78 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.62 7.81 129 G 6.72 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 0.00 130 T 8.03 5.12 4.39 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 1.34 0.00 0.00 131 T 9.36 5.01 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 1.27 0.00 0.00 132 V 9.33 4.79 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 1.14 0.00 0.00 1.07 0.00 0.00 133 Y 9.45 5.13 0.00 3.08 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 0.00 134 L 9.06 5.01 0.00 1.47 1.39 1.01 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.51 4.79 0.00 1.36 1.38 0.00 1.60 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.11 1.21 7.81 136 K 8.73 4.90 0.00 1.82 1.53 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.38 7.81 137 H 11.21 5.00 0.00 3.15 3.17 0.00 5.83 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.46 3.64 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 0.00 0.00 0.00 139 I 7.43 3.62 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 1.14 0.53 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.