NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4175 8.0333 110.9606 60.9980 70.1652 172.9988 3 L 3.8199 8.2391 123.7940 53.9069 42.3024 175.1027 4 H 4.3119 9.4500 124.3179 55.3001 31.0075 175.4797 5 K 3.8346 8.6721 129.0286 58.9610 31.9914 176.7162 6 E 4.7297 8.0903 114.0426 55.9727 29.8841 175.7957 7 R 4.9849 8.3537 118.1552 56.0028 31.6430 175.7413 8 R 4.1807 8.0230 118.8687 55.3591 29.3906 175.7926 9 I 3.1336 8.3021 124.6926 63.9143 37.8965 177.3709 10 G 3.4483 7.8176 105.8278 47.6833 0.0000 175.3138 11 R 3.8285 7.8534 121.5127 58.8712 30.0455 178.3062 12 L 3.8523 7.9148 118.8844 57.8878 41.6987 179.7925 13 S 4.0564 7.7707 113.8632 61.1451 62.8232 176.8264 14 V 3.5411 7.6932 121.8034 65.9509 31.1784 177.8551 15 L 3.9249 7.8774 117.6392 57.7752 41.5734 179.1394 16 L 4.4252 7.7819 121.4068 57.6604 41.8617 178.8196 17 L 3.9433 7.5970 118.7250 57.7528 42.1328 178.0651 18 L 4.2619 7.8379 116.1341 54.4779 43.2696 177.0065 19 N 4.7884 7.4470 117.6083 52.6421 38.2203 176.5946 20 E 3.3209 8.0238 115.3766 57.7124 33.1551 177.8842 *25 T 4.2830 8.3252 112.7455 62.9989 70.6374 175.8515 26 Q 4.0891 8.7545 129.7482 58.9506 29.6750 177.8352 27 V 3.5876 7.6578 119.2313 66.1308 31.6858 177.6916 28 E 4.2318 8.2885 117.8602 59.4398 29.4116 178.9297 29 E 3.9695 8.1750 119.0494 59.1719 29.7405 178.8608 30 L 4.2205 8.0103 119.1079 57.9863 41.6373 179.3592 31 E 4.6364 8.7629 120.2028 59.1370 29.1797 179.6548 32 R 3.9706 8.2207 117.4595 59.1108 30.1912 177.9706 33 D 4.6756 7.7790 115.6299 54.5880 41.0271 177.1767 34 G 3.8650 8.1931 108.7110 44.5255 0.0000 173.9442 35 W 4.7453 8.1604 120.1017 56.2372 30.9983 175.3748 36 K 4.8896 9.1011 122.8861 55.1528 33.2284 175.8763 37 V 5.2458 8.3408 124.2171 61.5564 35.3425 174.2625 38 C 4.7988 8.5857 118.2353 57.3241 33.0054 172.8114 39 L 5.1084 8.2454 122.1298 53.3241 44.6743 175.2967 40 G 3.4103 7.5259 107.1884 45.3998 0.0000 172.1574 41 K 5.2000 8.1369 118.3398 55.1544 35.6444 176.1880 42 V 4.6190 9.1449 121.8354 60.6220 35.0648 173.3137 43 G 4.4479 8.2623 109.1445 44.8535 0.0000 171.1921 44 S 4.6521 8.3538 116.3794 58.4949 66.9724 176.3385 45 M 4.4901 8.2964 119.0502 54.8315 32.8852 175.1468 46 D 5.0836 8.4620 120.4449 51.9253 42.9184 176.5885 47 A 3.9905 8.7179 127.5270 55.4345 18.2596 178.6992 48 H 4.2273 8.2130 112.9964 58.7016 28.4854 177.8750 49 K 3.9282 7.7639 121.5236 59.1348 31.7017 179.4580 50 V 3.5843 7.5149 118.2604 65.8863 31.5160 178.0700 51 I 3.6029 7.8554 119.4786 64.0917 36.8682 178.2664 52 A 3.9524 8.3091 121.7132 55.0567 18.1717 179.4820 53 A 3.9609 7.9618 119.2397 55.4762 18.4956 179.9231 54 I 2.8367 7.1017 118.1134 64.1115 37.0679 178.3939 55 E 3.9141 8.0457 120.1216 59.5250 29.4639 178.9868 56 T 3.8759 8.3006 115.9718 66.5986 68.5282 176.5358 57 A 4.0737 8.4003 123.0162 55.4485 18.3866 179.9034 58 S 4.1623 8.2984 113.6457 61.5948 62.7058 177.0927 59 K 4.2357 8.2284 121.2185 59.1821 31.7190 179.6338 60 K 4.0482 8.1812 118.3118 59.2437 32.0827 178.1866 61 S 4.3100 8.2624 111.0542 58.4055 63.3391 174.8535 62 G 3.9222 7.8451 109.2537 46.3317 0.0000 175.1768 63 V 3.8260 8.1455 122.1380 64.7481 31.7281 176.2556 64 I 4.8815 7.2850 110.5027 58.4950 40.5493 174.7253 65 Q 4.1382 9.7694 122.7315 56.3413 28.9389 177.3797 66 S 4.3427 8.6309 116.1570 59.9322 63.8462 174.1427 67 E 4.3860 7.9923 119.9546 55.8423 30.8629 176.3135 68 G 4.0435 8.4772 108.8330 46.1464 0.0000 173.3935 69 Y 4.6752 8.3757 117.5925 60.3622 39.5428 177.5158 70 R 3.5008 7.6406 118.0968 59.6287 30.7584 177.7225 71 E 4.0155 8.0724 118.0611 59.2373 29.5921 179.5098 72 S 4.1754 7.9458 115.1356 61.5732 63.0312 175.8980 73 H 3.8020 8.3496 121.2471 58.9911 29.6092 177.2287 74 A 3.8987 7.7892 122.4740 55.0930 18.1446 179.4200 75 L 3.9232 7.9166 118.9277 58.1741 42.1104 178.5227 76 Y 3.9105 8.1965 119.7784 61.1496 38.7826 177.9529 77 H 4.1229 8.1449 116.2393 58.4625 28.7382 177.7386 78 A 4.0353 7.9306 122.7657 55.3526 18.2115 179.8302 79 T 3.7588 8.0289 114.4846 66.8164 68.2251 176.8510 80 M 3.8491 7.5809 119.6905 58.4639 32.1624 178.3147 81 E 4.1900 8.3087 118.4150 59.4473 29.6888 179.3675 82 A 4.0469 8.1070 120.8281 55.0620 18.4554 179.6621 83 L 4.0222 7.9886 117.3212 57.7779 41.5870 179.4038 84 H 4.2709 7.9439 117.0973 58.7977 28.4114 177.9812 85 G 3.7622 8.0362 106.0537 47.6463 0.0000 175.5600 86 V 4.3262 7.8937 120.9046 65.2572 31.8189 177.4559 87 T 4.1881 8.6559 108.9586 61.1208 70.3160 174.2285 88 R 3.8552 9.0399 119.5810 55.4805 27.8689 173.7292 89 G 3.7989 7.5805 111.4752 45.3318 0.0000 172.3448 90 E 4.5047 7.7867 122.2450 53.9691 32.1434 177.1502 91 M 4.4651 8.3573 127.2659 54.1422 30.8121 175.4846 92 L 4.8937 7.2742 118.4366 52.9331 46.7741 174.9163 93 L 4.4481 8.2347 118.3026 54.9564 44.5743 178.8221 94 G 3.7949 7.3379 111.8427 49.2390 0.0000 176.0137 95 S 4.1394 8.1121 112.8775 60.0429 63.0431 174.6739 96 L 4.5827 7.7743 120.5143 53.9080 41.8173 175.7885 97 L 3.6615 7.9749 118.3764 55.9388 40.8924 173.8650 98 R 4.9795 7.7082 110.4394 54.7645 33.1969 174.1442 99 T 4.7691 8.9516 113.6399 60.5724 71.6135 172.7868 100 V 4.8657 8.6254 118.3630 59.4110 35.9345 175.1915 101 G 4.2763 9.1241 111.1517 44.6501 0.0000 171.7387 102 L 5.3205 9.0778 126.3945 52.3674 46.1250 175.7657 103 R 5.0697 8.8470 121.3765 54.5549 33.1826 174.4045 104 F 5.6869 9.1645 120.1866 55.2428 42.0515 173.2596 105 A 5.2227 9.1460 120.7944 50.3636 22.7448 175.1671 106 V 4.8599 8.9258 121.0419 60.9853 34.7858 174.0421 107 L 5.1918 8.8914 129.3243 53.2770 45.5099 174.9382 108 R 5.2796 9.8411 125.1618 53.8011 33.7699 174.7336 109 G 4.0451 8.5192 112.2977 46.5365 0.0000 170.0869 110 N 5.5427 8.0896 119.3603 51.9190 39.3480 173.1722 111 P 5.1206 0.0000 0.0000 62.4957 32.3269 175.0783 112 Y 4.8330 8.4064 117.4154 56.5877 39.4779 175.6914 113 E 4.1062 9.0625 122.0011 59.0515 29.9979 177.8465 114 S 4.4779 8.0158 114.3640 56.9132 63.1321 174.2877 115 E 4.0010 8.8754 128.6159 58.8682 29.6476 178.2323 116 A 4.1783 7.5783 120.8103 54.4321 18.4700 178.1868 117 E 4.0845 8.2734 114.6458 56.7892 29.8903 178.7083 118 G 3.9689 7.5385 107.5839 45.3555 0.0000 172.7025 119 D 5.1542 8.3028 117.4265 53.8220 42.8664 175.7221 120 W 5.3502 9.2885 120.1921 55.1450 34.2400 173.8950 121 I 5.4166 9.7013 120.4367 59.5138 41.4786 173.5478 122 A 5.2693 9.3435 129.7472 50.1000 22.4636 174.9734 123 V 4.8289 9.0113 122.0383 61.2164 34.3502 174.4726 124 S 5.4133 9.2247 124.0065 56.7367 66.4081 173.1556 125 L 5.4518 9.4338 123.5265 53.2583 45.4665 175.0235 126 Y 4.7564 8.5677 123.3687 55.4356 42.4116 174.0756 127 G 3.7159 6.3806 114.2678 46.3319 0.0000 172.0913 128 T 4.9025 7.9107 112.8266 59.7073 72.1338 173.0957 129 I 4.9325 8.3846 122.0474 59.1635 41.4639 175.2250 130 G 4.0235 7.8715 112.1017 45.7830 0.0000 172.5191 131 A 4.5990 7.9937 122.3033 51.3690 19.2124 177.0333 132 P 4.5651 0.0000 0.0000 60.6462 30.0362 175.7715 133 I 4.1212 7.3181 121.0220 60.7774 40.9902 174.3032 134 K 3.8720 8.7049 126.9007 58.4414 32.3730 174.6554 135 G 4.2071 8.7455 113.5870 45.7233 0.0000 174.3622 136 L 4.5425 7.6136 121.3583 52.4212 39.6637 175.5069 137 E 5.2120 7.7217 118.1765 56.0176 32.9844 174.6483 138 H 5.0088 8.7133 114.7971 53.9632 32.5000 172.6947 139 E 4.6565 8.7966 118.3483 57.3301 30.5777 176.4953 140 T 4.8803 8.2640 114.7032 61.2113 71.1498 172.4709 141 F 5.5248 8.9470 125.5921 56.2155 43.5295 174.4433 142 G 4.6496 8.7607 105.5946 46.3589 0.0000 172.5197 143 V 5.0301 8.6256 124.1283 60.9989 34.6061 174.5594 144 G 4.3426 9.4485 115.0529 44.4602 0.0000 171.6987 145 I 5.3931 8.2428 123.0938 59.5364 40.4993 174.3967 146 N 5.2595 9.4443 124.0019 52.4988 42.9572 172.6938 147 H 3.8827 8.2166 118.3207 54.3778 30.0600 175.3459 148 I 3.8916 7.7302 120.7049 61.5074 37.1499 175.5877 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 T 8.03 4.42 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 3 L 8.24 3.82 0.00 1.59 1.41 0.74 -0.20 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 4 H 9.45 4.31 0.00 3.16 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.67 3.83 0.00 1.67 1.77 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.36 7.81 6 E 8.09 4.73 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 7 R 8.35 4.98 0.00 1.93 2.19 0.00 3.01 0.00 0.00 3.06 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 8 R 8.02 4.18 0.00 1.79 1.81 0.00 3.09 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 9 I 8.30 3.13 1.96 0.00 0.00 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 1.47 0.93 0.91 0.00 0.00 10 G 7.82 3.45 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 11 R 7.85 3.83 0.00 1.82 2.01 0.00 3.14 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 12 L 7.91 3.85 0.00 1.36 1.35 0.62 0.82 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 13 S 7.77 4.06 0.00 4.04 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 14 V 7.69 3.54 2.21 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 1.06 0.00 0.00 1.05 0.00 0.00 15 L 7.88 3.92 0.00 1.71 1.69 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.78 4.43 0.00 1.79 1.79 0.93 0.41 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 L 7.60 3.94 0.00 1.89 1.86 0.93 1.13 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 18 L 7.84 4.26 0.00 1.57 1.55 0.93 0.06 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 19 N 7.45 4.79 0.00 2.67 2.71 0.00 0.00 7.19 7.55 0.00 0.00 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 E 8.02 3.32 0.00 2.13 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 2.18 2.29 0.00 *25 T 8.33 4.28 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 26 Q 8.75 4.09 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 27 V 7.66 3.59 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 1.00 0.00 0.00 0.93 0.00 0.00 28 E 8.29 4.23 0.00 2.20 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 2.42 2.44 0.00 29 E 8.18 3.97 0.00 2.21 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 2.35 2.38 0.00 30 L 8.01 4.22 0.00 2.00 1.82 0.83 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.76 4.64 0.00 2.15 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 0.00 2.41 2.54 0.00 32 R 8.22 3.97 0.00 1.98 2.02 0.00 3.18 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.99 0.00 33 D 7.78 4.68 0.00 3.08 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 34 G 8.19 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 35 W 8.16 4.75 0.00 3.49 3.14 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 36 K 9.10 4.89 0.00 1.81 1.82 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.57 7.81 37 V 8.34 5.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.03 0.00 0.00 38 C 8.59 4.80 0.00 3.02 3.04 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 39 L 8.25 5.11 0.00 1.42 1.42 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.53 3.41 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 0.00 41 K 8.14 5.20 0.00 1.64 1.60 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.18 1.37 7.81 42 V 9.14 4.62 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 0.94 0.00 0.00 1.01 0.00 0.00 43 G 8.26 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 44 S 8.35 4.65 0.00 3.84 3.63 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 45 M 8.30 4.49 0.00 2.07 2.01 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 2.56 2.50 0.00 46 D 8.46 5.08 0.00 2.46 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.72 3.99 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 48 H 8.21 4.23 0.00 3.38 3.60 0.00 5.46 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.76 3.93 0.00 1.91 1.84 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.13 7.81 50 V 7.51 3.58 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 0.99 0.00 0.00 0.89 0.00 0.00 51 I 7.86 3.60 2.04 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.60 0.94 0.00 0.00 52 A 8.31 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 53 A 7.96 3.96 1.43 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 0.00 0.00 0.00 54 I 7.10 2.84 1.69 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 -0.13 0.03 0.65 0.00 0.00 55 E 8.05 3.91 0.00 2.17 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 2.33 2.38 0.00 56 T 8.30 3.88 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 1.24 0.00 0.00 57 A 8.40 4.07 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.30 4.16 0.00 4.07 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 59 K 8.23 4.24 0.00 1.92 1.87 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.62 7.81 60 K 8.18 4.05 0.00 1.84 1.90 0.00 1.61 0.00 0.00 2.12 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.45 7.81 61 S 8.26 4.31 0.00 4.03 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 62 G 7.85 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 0.00 0.00 0.00 63 V 8.15 3.83 2.26 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 0.89 0.00 0.00 1.01 0.00 0.00 64 I 7.28 4.88 1.97 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 1.44 0.86 0.94 0.00 0.00 65 Q 9.77 4.14 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.04 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 66 S 8.63 4.34 0.00 4.00 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 67 E 7.99 4.39 0.00 1.99 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 2.26 2.30 0.00 68 G 8.48 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 69 Y 8.38 4.68 0.00 2.93 2.96 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 70 R 7.64 3.50 0.00 1.91 1.83 0.00 3.21 0.00 0.00 3.31 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 71 E 8.07 4.02 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 72 S 7.95 4.18 0.00 4.09 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 73 H 8.35 3.80 0.00 1.77 3.06 0.00 5.59 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 74 A 7.79 3.90 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 75 L 7.92 3.92 0.00 1.79 1.83 0.91 0.88 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 76 Y 8.20 3.91 0.00 3.15 2.95 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 77 H 8.14 4.12 0.00 3.19 3.32 0.00 5.67 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 78 A 7.93 4.04 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 79 T 8.03 3.76 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 1.03 0.00 0.00 80 M 7.58 3.85 0.00 1.88 2.13 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.99 0.00 81 E 8.31 4.19 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 82 A 8.11 4.05 1.43 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 0.00 0.00 0.00 83 L 7.99 4.02 0.00 1.80 1.64 0.80 0.86 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 84 H 7.94 4.27 0.00 3.38 3.35 0.00 5.62 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 85 G 8.04 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 86 V 7.89 4.33 2.20 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 0.65 0.00 0.00 1.01 0.00 0.00 87 T 8.66 4.19 4.47 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 1.19 0.00 0.00 88 R 9.04 3.86 0.00 1.89 1.99 0.00 3.19 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 89 G 7.58 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 90 E 7.79 4.50 0.00 1.92 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 2.20 2.20 0.00 91 M 8.36 4.47 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 92 L 7.27 4.89 0.00 1.61 1.49 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.23 4.45 0.00 1.82 1.54 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.34 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 0.00 0.00 0.00 95 S 8.11 4.14 0.00 3.99 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 96 L 7.77 4.58 0.00 1.75 1.68 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.97 3.66 0.00 1.70 1.68 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 98 R 7.71 4.98 0.00 1.89 1.80 0.00 3.01 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 99 T 8.95 4.77 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 1.24 0.00 0.00 100 V 8.63 4.87 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 0.71 0.00 0.00 0.95 0.00 0.00 101 G 9.12 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 0.00 102 L 9.08 5.32 0.00 1.70 1.55 0.90 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.85 5.07 0.00 1.79 1.88 0.00 3.01 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 104 F 9.16 5.69 0.00 3.12 3.08 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 0.00 105 A 9.15 5.22 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 0.00 106 V 8.93 4.86 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 1.02 0.00 0.00 1.03 0.00 0.00 107 L 8.89 5.19 0.00 1.69 1.35 0.82 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 108 R 9.84 5.28 0.00 2.02 1.85 0.00 3.54 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 109 G 8.52 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 0.00 0.00 0.00 110 N 8.09 5.54 0.00 2.84 2.69 0.00 0.00 6.86 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 0.00 111 P 0.00 5.12 0.00 1.91 2.40 0.00 4.12 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.74 0.00 112 Y 8.41 4.83 0.00 3.01 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 0.00 113 E 9.06 4.11 0.00 2.00 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 0.00 2.48 2.58 0.00 114 S 8.02 4.48 0.00 3.88 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 0.00 115 E 8.88 4.00 0.00 2.01 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 2.37 2.25 0.00 116 A 7.58 4.18 1.28 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 0.00 117 E 8.27 4.08 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.96 0.00 118 G 7.54 3.97 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 0.00 0.00 0.00 119 D 8.30 5.15 0.00 2.65 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 W 9.29 5.35 0.00 3.57 3.39 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 0.00 121 I 9.70 5.42 1.96 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 1.23 2.01 0.98 0.00 0.00 122 A 9.34 5.27 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 0.00 123 V 9.01 4.83 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 0.92 0.00 0.00 0.92 0.00 0.00 124 S 9.22 5.41 0.00 3.82 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 0.00 125 L 9.43 5.45 0.00 1.54 1.53 0.90 0.73 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 0.00 126 Y 8.57 4.76 0.00 2.75 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 0.00 127 G 6.38 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 0.00 128 T 7.91 4.90 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 1.06 0.00 0.00 129 I 8.38 4.93 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.57 0.78 0.00 0.00 130 G 7.87 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 A 7.99 4.60 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 0.00 132 P 0.00 4.57 0.00 2.18 2.09 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 133 I 7.32 4.12 1.86 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 1.29 0.39 0.90 0.00 0.00 134 K 8.70 3.87 0.00 1.69 1.74 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 135 G 8.75 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 0.00 0.00 0.00 0.00 136 L 7.61 4.54 0.00 1.74 1.63 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 137 E 7.72 5.21 0.00 1.97 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 2.25 0.00 138 H 8.71 5.01 0.00 3.24 3.43 0.00 5.46 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.80 4.66 0.00 2.11 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 0.00 2.39 2.40 0.00 140 T 8.26 4.88 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 1.13 0.00 0.00 141 F 8.95 5.52 0.00 2.85 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 0.00 142 G 8.76 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 0.00 0.00 0.00 0.00 143 V 8.63 5.03 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 0.86 0.00 0.00 1.00 0.00 0.00 144 G 9.45 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 0.00 0.00 0.00 0.00 145 I 8.24 5.39 1.99 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 1.19 0.78 1.18 0.00 0.00 146 N 9.44 5.26 0.00 2.82 2.58 0.00 0.00 6.66 8.49 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 0.00 147 H 8.22 3.88 0.00 2.09 1.31 0.00 5.75 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.73 3.89 1.83 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 1.12 0.91 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.