NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1744 8.3144 120.1396 56.1615 33.4961 174.5051 3 V 4.1277 7.9491 122.8367 60.3620 33.6739 173.5480 4 F 4.4885 9.0362 125.9454 55.5384 41.8352 173.7845 5 E 4.4791 8.1890 126.4203 54.8939 30.8440 174.4022 6 F 5.1836 8.3005 122.0246 56.5171 43.9716 173.0065 7 E 4.8994 9.2281 118.0649 54.9276 33.0601 175.9540 8 V 4.6720 8.4407 115.3978 60.4711 33.9216 174.9130 9 G 4.2723 8.6050 111.0173 46.7717 0.0000 173.7112 10 K 4.3323 7.7628 118.8311 54.9531 33.8485 175.8800 11 G 4.2832 7.6201 106.9894 45.1327 0.0000 172.3664 12 F 5.2233 9.0869 120.3709 55.4347 43.6234 173.6635 13 L 5.3468 8.8142 121.7072 53.0038 44.3167 175.8045 14 L 4.6937 9.1604 123.4743 52.7578 45.5165 175.6914 15 R 4.8215 8.3542 122.6726 54.5190 31.0422 175.6015 16 L 4.3834 8.4755 126.8861 54.4936 42.5580 177.0616 17 D 4.5715 9.8757 122.4495 53.7369 41.6242 176.0172 18 Y 4.1131 8.4378 124.4270 58.8868 39.3002 176.3552 19 G 3.7361 8.0761 113.8147 45.6341 0.0000 173.3512 20 K 4.5886 7.1429 117.5292 53.8263 35.2137 175.0731 21 D 4.8265 8.2759 119.7384 54.0081 42.8436 176.5887 22 L 3.8647 9.0309 129.4152 58.3571 42.3113 179.4328 23 V 3.5264 7.7381 117.5601 66.1547 31.5164 177.9354 24 R 3.9389 8.8776 117.9952 59.3960 29.8905 179.1166 25 Q 4.0167 8.0136 117.5208 58.9431 28.6437 178.8363 26 I 3.7340 7.5821 120.2937 64.5788 37.2070 178.3920 27 E 4.0040 8.2683 119.2638 59.3934 29.1843 179.3777 28 E 3.9910 8.2515 118.8394 59.1326 29.5021 179.0528 29 F 4.0702 8.2759 120.7431 61.2464 39.4179 177.0690 30 L 3.6650 8.2564 118.9455 57.8453 40.9916 179.4231 31 E 3.8841 8.1258 118.3407 59.3341 29.1615 179.0214 32 E 3.8333 7.7571 118.2336 58.9524 29.8221 178.3828 33 K 4.0653 7.4481 115.8871 55.6281 32.6818 176.6980 34 G 3.6673 7.2908 106.5045 46.5330 0.0000 173.9752 35 I 4.1078 7.6989 120.9548 60.2776 37.8763 175.9889 36 H 4.8069 8.6708 121.5945 55.8663 30.3421 174.2001 37 A 5.2403 7.5596 120.6326 50.1251 22.5198 174.9086 38 A 4.4970 7.9999 121.6142 51.7723 23.0183 174.0219 39 H 5.2569 8.5927 119.0906 54.5583 32.4829 173.2850 40 I 4.9889 8.5133 125.6501 59.7045 40.7995 174.4529 41 S 5.2226 8.5935 118.5665 57.4021 66.1964 172.3736 42 A 5.0795 8.4396 124.9358 51.5944 22.6602 175.1687 43 I 4.5246 8.5918 111.8770 59.0087 41.6864 173.5111 44 G 4.0699 7.8512 110.3199 44.4928 0.0000 172.6479 45 A 5.1006 9.2719 126.2649 50.8154 23.2361 175.6494 46 V 4.9938 8.8312 112.2738 59.8238 35.5157 176.9864 47 R 4.3160 9.0757 121.7668 58.2368 31.0539 176.3546 48 S 4.6909 7.6609 111.4450 58.2798 66.1047 174.2995 49 A 4.7090 8.2173 120.9612 51.5543 23.4133 175.4944 50 V 4.8277 9.1169 118.8267 61.6635 34.7515 174.2652 51 I 5.5672 7.6295 122.3831 59.3327 41.3419 174.0923 52 G 4.5808 7.9464 107.7028 46.7290 0.0000 171.5845 53 Y 5.5237 8.2603 117.8103 55.2644 42.0734 173.7210 54 Y 4.7302 8.7167 121.1336 55.8776 41.0861 173.8665 55 D 4.5862 8.4651 127.9187 54.0921 41.6345 176.9229 56 Q 4.1845 8.8604 125.3623 57.6991 29.3970 177.0789 57 E 4.3221 8.2070 116.6503 58.3554 30.3294 177.6617 58 K 4.0124 8.6668 115.7305 56.7908 32.5999 176.9883 59 K 3.5086 7.6622 116.6570 55.5567 29.9004 174.6679 60 E 4.7945 6.5726 114.1506 55.1270 33.3082 175.0696 61 Y 4.8723 8.6764 118.7209 57.9593 39.5222 175.3101 62 V 4.2546 8.8769 122.1463 61.0733 34.0614 174.7601 63 K 5.0325 8.5160 127.1037 55.4123 35.0995 175.5986 64 K 4.6193 9.1061 122.0391 54.7622 35.5063 174.5454 65 E 4.8562 8.7539 126.0587 55.0810 31.2976 175.0187 66 L 4.6339 8.4088 122.3759 52.7076 46.5651 175.0704 *68 E 4.2213 8.5440 119.4303 55.2343 30.3690 173.3766 69 P 4.6297 0.0000 0.0000 62.9427 31.9966 175.6346 70 L 4.9094 8.7353 122.5202 53.0685 46.8105 175.4799 71 E 4.5117 8.7976 120.4736 56.0548 31.2966 176.5388 72 I 4.0317 8.6521 124.9371 60.5224 36.1774 175.7504 73 L 4.2174 8.8391 128.7071 57.5761 42.4299 178.0289 74 S 4.6095 7.7144 111.2891 57.1471 66.1830 173.5569 75 L 5.0743 8.4065 128.2205 53.8021 45.1217 174.4959 76 S 4.9537 9.0126 120.2946 56.8492 66.7195 174.0509 77 G 3.8619 7.8525 110.3286 46.1734 0.0000 171.0422 78 N 5.4605 7.9792 115.9734 51.6974 41.8182 173.3583 79 V 5.0647 8.6909 119.2279 61.6631 34.8036 173.0117 80 S 5.0788 8.8984 125.0147 59.1004 70.0800 177.0125 *82 K 4.0878 9.1816 119.2220 57.1621 32.9864 174.1293 83 D 4.6438 9.4753 126.0080 55.7262 38.2559 173.9868 84 S 3.8889 8.8312 108.0028 58.4193 61.1073 169.8264 85 K 4.5597 7.8002 115.2043 54.1110 35.2133 173.8086 86 P 4.3707 0.0000 0.0000 63.6974 31.5885 175.0938 87 F 4.9320 9.7683 125.5396 56.4367 42.1575 173.3835 88 C 4.7095 7.9171 123.7172 58.8947 29.5266 172.6397 89 H 4.6562 8.8478 123.3286 54.4522 31.9723 172.3928 90 I 5.0766 8.0107 125.8332 59.7803 41.4279 174.1428 91 H 5.4190 9.1432 122.8402 54.2830 32.1737 173.4746 92 V 5.0319 8.6946 113.8717 59.8952 37.0458 174.3016 93 L 5.2432 8.9501 120.6209 53.3580 45.2548 176.0561 94 L 5.2098 10.4625 124.0072 52.4461 45.9374 177.8763 95 G 3.7216 7.2452 107.4166 46.5362 0.0000 171.1484 96 K 4.7270 8.4712 117.2428 57.1934 36.5902 174.6626 97 D 4.1604 8.3941 122.2378 56.0505 39.5091 175.3870 98 G 3.6653 8.7438 116.6056 46.8063 0.0000 172.7633 99 E 4.0711 8.2544 122.7688 54.7581 28.7243 174.4925 100 V 4.7074 7.6136 125.1680 61.0277 34.5021 174.0482 101 Y 5.0057 9.1963 124.5830 56.4817 41.6841 174.7602 102 G 4.4546 8.6789 107.8221 44.6735 0.0000 173.2197 103 G 4.0431 7.8433 107.2215 45.3887 0.0000 170.4773 104 H 4.3408 8.4037 120.7635 55.9071 30.7705 175.0561 105 L 4.3153 8.4457 128.9842 54.8744 42.2461 175.5932 106 F 4.7595 8.8924 124.7392 58.8610 40.9557 176.0349 107 S 4.8241 7.8880 110.0111 57.7666 66.2242 173.5956 108 A 4.8625 8.9225 121.2753 51.0652 23.2849 175.0016 109 E 4.5560 8.8520 124.7194 55.2000 30.9652 175.9496 110 V 3.8847 8.6187 128.1543 63.4601 32.3702 175.2903 111 F 4.3820 8.9913 129.6013 59.2600 40.6261 175.7175 112 A 4.6081 7.7996 119.6048 50.9414 22.6143 173.9954 113 C 5.1359 8.7387 122.4483 57.8148 35.5957 172.2411 114 E 5.1366 9.0550 125.5749 54.7560 31.8835 174.9048 115 V 4.7022 8.6477 125.3357 60.9904 34.4291 173.9327 116 F 5.4933 9.4016 130.2467 56.5821 41.6353 174.2403 117 V 4.3726 8.5326 126.0509 60.8565 34.5713 173.8553 118 L 4.7430 8.1431 130.3823 52.0723 43.1337 173.4857 119 P 4.7732 0.0000 0.0000 62.6584 32.3778 175.7964 120 L 4.5473 8.5867 121.9734 52.9613 44.0346 176.3023 121 S 4.4270 9.1301 120.7964 58.5587 63.1657 173.5804 122 G 4.1141 8.2722 113.5126 46.4491 0.0000 170.2218 123 E 4.1237 8.3251 120.1553 55.9741 29.5615 176.8639 124 A 4.2514 8.5738 128.2283 51.0885 19.1303 175.0841 125 P 4.1349 0.0000 0.0000 62.6271 32.1688 175.4620 126 E 4.7586 8.6799 120.9585 54.8550 32.2874 174.9924 127 R 5.0131 8.7821 122.9432 55.3749 31.1022 175.6328 128 A 5.0659 9.1324 126.0005 49.4239 22.9137 174.8628 129 F 3.3965 8.6672 122.1037 58.2864 40.2083 173.7912 130 D 4.5031 7.6741 126.1765 52.2683 42.5780 176.0316 131 E 3.7487 8.9034 127.3593 59.4861 29.9692 177.3671 132 Q 4.0927 8.1715 118.0490 59.1157 28.8896 177.5432 133 T 4.2036 8.1059 105.2505 61.2515 69.8198 175.8525 134 G 3.7225 8.1798 109.6360 44.9404 0.0000 172.8345 135 L 4.4159 7.0813 119.7779 53.5940 44.6234 175.6364 136 F 4.6802 8.7198 118.6141 56.3031 39.1271 175.7910 137 L 4.4438 8.1043 123.7725 52.4095 44.3138 176.0220 138 W 4.8690 8.3812 120.6021 57.5778 29.1245 174.5410 139 L 4.7308 9.3217 124.8347 55.6432 43.2767 175.8907 140 E 4.4620 7.9659 123.7253 56.7003 29.5688 174.7911 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 K 8.31 4.17 0.00 1.98 1.74 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.54 7.81 3 V 7.95 4.13 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 0.77 0.00 0.00 0.91 0.00 0.00 4 F 9.04 4.49 0.00 3.11 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 5 E 8.19 4.48 0.00 1.81 1.65 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 2.17 2.30 0.00 6 F 8.30 5.18 0.00 2.87 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 7 E 9.23 4.90 0.00 1.95 1.83 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 2.24 2.28 0.00 8 V 8.44 4.67 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 0.72 0.00 0.00 0.96 0.00 0.00 9 G 8.61 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 10 K 7.76 4.33 0.00 1.55 1.29 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.35 7.81 11 G 7.62 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 0.00 0.00 0.00 0.00 12 F 9.09 5.22 0.00 2.92 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 13 L 8.81 5.35 0.00 1.54 1.59 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14 L 9.16 4.69 0.00 1.33 1.29 0.29 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.35 4.82 0.00 1.78 1.81 0.00 3.22 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 16 L 8.48 4.38 0.00 1.54 1.56 0.85 0.92 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 17 D 9.88 4.57 0.00 2.76 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 18 Y 8.44 4.11 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.08 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.14 4.59 0.00 1.80 1.68 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.48 7.81 21 D 8.28 4.83 0.00 2.77 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 9.03 3.86 0.00 1.77 1.61 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.74 3.53 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 0.90 0.00 0.00 0.85 0.00 0.00 24 R 8.88 3.94 0.00 1.79 1.96 0.00 3.35 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.82 0.00 25 Q 8.01 4.02 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 26 I 7.58 3.73 1.97 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 1.46 0.78 0.90 0.00 0.00 27 E 8.27 4.00 0.00 2.14 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 2.27 2.61 0.00 28 E 8.25 3.99 0.00 2.23 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 2.49 0.00 29 F 8.28 4.07 0.00 3.05 3.22 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 30 L 8.26 3.67 0.00 1.81 1.80 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.13 3.88 0.00 2.10 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 2.35 2.45 0.00 32 E 7.76 3.83 0.00 1.94 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 2.17 2.27 0.00 33 K 7.45 4.07 0.00 1.17 1.51 0.00 1.68 0.00 0.00 1.47 0.00 0.00 2.84 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.46 0.22 7.81 34 G 7.29 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 0.00 0.00 0.00 35 I 7.70 4.11 1.76 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 1.03 0.71 0.88 0.00 0.00 36 H 8.67 4.81 0.00 3.17 3.27 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.56 5.24 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.00 4.50 1.14 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 39 H 8.59 5.26 0.00 3.14 3.09 0.00 5.53 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.51 4.99 1.77 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 1.02 0.82 0.84 0.00 0.00 41 S 8.59 5.22 0.00 3.95 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 42 A 8.44 5.08 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 43 I 8.59 4.52 1.89 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 1.18 0.64 0.93 0.00 0.00 44 G 7.85 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 9.27 5.10 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 46 V 8.83 4.99 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 0.85 0.00 0.00 1.00 0.00 0.00 47 R 9.08 4.32 0.00 1.59 1.97 0.00 2.61 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.52 0.00 48 S 7.66 4.69 0.00 3.94 3.90 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 49 A 8.22 4.71 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 50 V 9.12 4.83 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 1.00 0.00 0.00 0.91 0.00 0.00 51 I 7.63 5.57 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.94 0.95 0.00 0.00 52 G 7.95 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.26 5.52 0.00 3.13 3.15 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 54 Y 8.72 4.73 0.00 2.89 2.87 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 55 D 8.47 4.59 0.00 2.68 2.37 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 56 Q 8.86 4.18 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.67 0.00 0.00 0.00 0.00 0.00 2.54 2.60 0.00 57 E 8.21 4.32 0.00 2.03 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 2.23 2.36 0.00 58 K 8.67 4.01 0.00 1.58 1.79 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.36 7.81 59 K 7.66 3.51 0.00 1.92 1.96 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.15 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.65 1.30 7.81 60 E 6.57 4.79 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 2.13 2.24 0.00 61 Y 8.68 4.87 0.00 3.08 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 62 V 8.88 4.25 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.71 0.00 0.00 63 K 8.52 5.03 0.00 1.77 1.44 0.00 1.14 0.00 0.00 0.93 0.00 0.00 2.56 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.11 1.24 7.81 64 K 9.11 4.62 0.00 1.80 1.65 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.22 1.36 7.81 65 E 8.75 4.86 0.00 1.83 1.80 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 2.19 2.27 0.00 66 L 8.41 4.63 0.00 1.44 1.36 0.65 -0.40 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 *68 E 8.54 4.22 0.00 1.95 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 2.20 2.34 0.00 69 P 0.00 4.63 0.00 1.89 1.83 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 70 L 8.74 4.91 0.00 1.55 1.59 1.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.80 4.51 0.00 2.04 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 2.29 2.42 0.00 72 I 8.65 4.03 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.61 0.92 0.00 0.00 73 L 8.84 4.22 0.00 1.66 1.73 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 74 S 7.71 4.61 0.00 3.87 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 75 L 8.41 5.07 0.00 1.70 1.61 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 76 S 9.01 4.95 0.00 3.92 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 77 G 7.85 3.86 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 0.00 0.00 0.00 78 N 7.98 5.46 0.00 3.03 3.03 0.00 0.00 6.84 7.01 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 79 V 8.69 5.06 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 0.99 0.00 0.00 0.89 0.00 0.00 80 S 8.90 5.08 0.00 4.15 3.26 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 *82 K 9.18 4.09 0.00 1.62 1.56 0.00 0.63 0.00 0.00 0.61 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 1.17 7.81 83 D 9.48 4.64 0.00 2.78 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 84 S 8.83 3.89 0.00 3.99 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 85 K 7.80 4.56 0.00 1.88 1.70 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.42 7.81 86 P 0.00 4.37 0.00 2.20 2.37 0.00 3.69 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 87 F 9.77 4.93 0.00 3.08 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 88 C 7.92 4.71 0.00 2.55 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 89 H 8.85 4.66 0.00 3.22 3.26 0.00 5.54 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.01 5.08 1.72 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.42 0.87 0.00 0.00 91 H 9.14 5.42 0.00 2.97 3.13 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.69 5.03 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 0.80 0.00 0.00 0.94 0.00 0.00 93 L 8.95 5.24 0.00 1.56 1.54 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 94 L 10.46 5.21 0.00 1.72 1.61 0.95 0.68 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 95 G 7.25 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.47 4.73 0.00 1.87 1.86 0.00 1.46 0.00 0.00 1.64 0.00 0.00 3.20 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.38 7.81 97 D 8.39 4.16 0.00 2.80 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 0.00 0.00 0.00 98 G 8.74 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 0.00 0.00 0.00 99 E 8.25 4.07 0.00 1.92 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 1.94 1.99 0.00 100 V 7.61 4.71 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 0.84 0.00 0.00 0.86 0.00 0.00 101 Y 9.20 5.01 0.00 2.90 2.78 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 0.00 102 G 8.68 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 7.84 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 0.00 104 H 8.40 4.34 0.00 3.27 3.15 0.00 5.77 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.45 4.32 0.00 1.54 1.50 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 106 F 8.89 4.76 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 0.00 107 S 7.89 4.82 0.00 4.05 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.92 4.86 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 0.00 109 E 8.85 4.56 0.00 2.04 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 2.11 2.15 0.00 110 V 8.62 3.88 2.18 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 0.97 0.00 0.00 0.93 0.00 0.00 111 F 8.99 4.38 0.00 3.04 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.80 4.61 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 0.00 113 C 8.74 5.14 0.00 2.97 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 0.00 114 E 9.06 5.14 0.00 1.96 1.84 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 2.22 2.22 0.00 115 V 8.65 4.70 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 0.87 0.00 0.00 0.89 0.00 0.00 116 F 9.40 5.49 0.00 3.05 2.92 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 0.00 117 V 8.53 4.37 2.16 0.00 0.00 0.00 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 0.81 0.00 0.00 118 L 8.14 4.74 0.00 1.30 1.35 1.04 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.77 0.00 2.15 2.15 0.00 3.88 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.18 0.00 120 L 8.59 4.55 0.00 0.77 0.59 0.36 0.68 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 0.00 121 S 9.13 4.43 0.00 3.97 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 0.00 122 G 8.27 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.33 4.12 0.00 1.92 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 2.25 2.23 0.00 124 A 8.57 4.25 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 0.00 125 P 0.00 4.13 0.00 0.49 0.49 0.00 3.39 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.44 0.00 126 E 8.68 4.76 0.00 2.02 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 2.33 2.34 0.00 127 R 8.78 5.01 0.00 1.76 2.12 0.00 3.16 0.00 0.00 3.39 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.00 0.00 128 A 9.13 5.07 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 0.00 129 F 8.67 3.40 0.00 2.38 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 0.00 130 D 7.67 4.50 0.00 2.54 2.23 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 0.00 131 E 8.90 3.75 0.00 1.95 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 2.31 2.37 0.00 132 Q 8.17 4.09 0.00 1.99 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 133 T 8.11 4.20 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 1.15 0.00 0.00 134 G 8.18 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.08 4.42 0.00 1.35 1.47 0.02 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 136 F 8.72 4.68 0.00 2.81 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 0.00 137 L 8.10 4.44 0.00 1.50 1.46 0.84 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 138 W 8.38 4.87 0.00 3.50 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 L 9.32 4.73 0.00 1.71 1.72 0.98 1.07 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 0.00 140 E 7.97 4.46 0.00 2.00 1.81 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 2.25 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.