NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0714 8.0244 114.2688 61.0552 38.8544 174.9466 4 R 4.1142 7.9609 120.1142 53.1073 32.3084 172.2279 5 P 4.3535 0.0000 0.0000 62.7465 33.4067 175.9741 6 L 4.5473 8.2653 124.4206 54.8364 41.5867 172.8372 7 H 4.0611 8.6091 120.3336 56.0437 30.3966 175.2718 8 D 4.7028 9.2695 124.2206 55.6330 41.9671 174.1838 9 R 4.6047 7.4048 116.4478 56.3775 31.5515 176.0673 10 V 4.5204 9.0097 120.9375 61.4025 35.5750 173.7712 11 I 4.8554 8.8183 128.3761 59.8936 39.2957 175.2380 12 V 5.0075 8.8027 119.6559 59.4183 36.7916 174.2022 13 K 4.7511 8.7295 121.3788 55.4662 34.4553 176.1831 14 R 4.4472 8.5474 124.1402 56.6604 30.9441 176.5227 15 K 4.5108 8.6537 125.6003 55.2222 34.4724 176.2939 16 E 3.9889 8.7517 119.8107 57.0477 29.8238 177.3304 17 V 3.7256 8.4649 122.7483 64.7817 32.2068 176.6745 18 E 3.5515 8.8858 120.3205 57.2669 26.5918 172.1621 19 T 3.9010 7.6249 119.7368 62.8522 68.3768 174.7018 20 K 4.0828 8.5070 127.0379 58.7182 32.7533 179.0356 21 S 4.4293 8.0098 111.7693 58.7083 63.3607 175.1629 22 A 4.2081 7.8574 123.7033 53.8098 18.0048 178.4921 23 G 4.0018 7.2487 103.5182 44.7534 0.0000 174.2063 24 G 4.1131 8.0002 105.8196 44.4942 0.0000 175.1024 25 I 3.8438 8.8890 121.5189 63.9176 37.5489 176.8425 26 V 3.7272 7.5230 119.8831 62.3959 32.0480 174.2073 27 L 4.4821 8.3418 128.9586 55.2434 42.5537 176.0531 28 T 4.4328 8.5568 121.3941 59.9325 69.1365 175.6984 29 G 4.3321 8.3759 118.5064 45.4315 0.0000 174.7059 30 S 4.7117 8.4395 116.6103 57.7114 64.6839 175.1423 31 A 4.3273 9.5729 127.9884 52.1944 19.5019 177.8149 32 A 3.7686 8.5448 117.5601 52.0411 16.9271 178.2617 33 A 4.3255 7.8510 121.1505 54.1896 20.9553 177.8840 34 K 4.1338 8.6524 119.1386 56.8106 32.6456 179.0652 35 S 4.7953 5.9867 114.6915 58.3648 66.3110 175.5486 36 T 3.2873 8.1369 115.8321 62.0548 69.9190 173.6411 37 R 4.8961 7.6053 122.6665 54.8485 32.5503 175.5018 38 G 4.8051 9.3550 109.9082 44.8846 0.0000 170.9048 39 E 5.1532 9.0308 120.1859 54.5244 33.0267 174.4550 40 V 3.9975 9.0675 128.3718 63.1448 32.3602 176.0018 41 L 4.5355 8.5577 125.8762 56.0160 44.1884 177.0645 42 A 4.5037 8.2715 120.5140 50.8093 22.7293 176.1185 43 V 4.0811 8.5295 123.3552 61.9399 32.6728 175.9495 44 G 3.9529 8.7612 113.0328 45.9043 0.0000 173.5337 45 N 4.7833 7.9121 119.2801 52.7413 38.6684 176.6688 46 G 3.6315 8.2817 109.8573 46.1729 0.0000 174.6260 47 R 4.7062 8.0341 124.3756 55.9511 31.6539 174.5315 48 I 4.2501 8.0894 128.8132 59.6355 35.6808 175.1498 49 L 4.5540 7.4040 121.1837 54.1440 46.3056 174.8961 50 E 3.4487 9.0533 118.5595 57.4199 26.6268 172.6998 51 N 4.4711 7.9712 120.7525 54.8100 39.1230 175.1642 52 G 3.7721 7.6009 109.6097 45.4860 0.0000 173.8495 53 E 3.7048 7.9511 122.7753 56.0159 29.0507 173.8356 54 V 3.8686 8.0895 118.5317 63.1618 32.2690 177.0444 55 K 4.3589 9.0219 127.9770 55.7034 33.3011 175.1646 56 P 4.7594 0.0000 0.0000 62.5693 32.6996 175.0172 57 L 4.9741 8.2198 118.0900 53.3270 45.2931 176.3785 58 D 4.8200 9.1624 119.7759 54.6289 42.5497 177.9518 59 V 3.8650 7.8506 112.0817 61.3358 32.4759 175.4323 60 K 4.6299 8.1015 120.0458 54.8635 35.5398 175.7767 61 V 3.6225 8.2513 121.5983 64.2333 31.9007 176.3576 62 G 3.8875 8.6997 115.8932 45.0939 0.0000 172.5571 63 D 4.7647 7.4757 119.1516 53.4179 43.5556 174.4908 64 I 4.9860 8.1429 121.0661 59.6795 38.9977 175.8979 65 V 4.8303 9.1197 119.1276 59.6806 36.4943 174.3639 66 I 5.1291 8.8934 123.2393 59.6945 39.7567 174.8849 67 F 5.2175 8.6902 120.3612 55.4954 41.7934 173.4963 68 N 4.7922 9.2693 120.5277 52.6606 37.1962 174.0562 69 D 4.7754 8.2530 123.1995 54.0267 42.7029 175.9744 70 G 3.8723 8.7227 111.0388 44.7400 0.0000 174.5557 71 Y 3.9722 8.6535 123.4794 59.7798 40.7436 177.7921 72 G 3.5654 8.3367 109.7848 46.3931 0.0000 178.4562 73 V 2.9366 6.6727 126.2866 61.2729 29.2881 173.3378 74 K 4.5074 8.3221 128.7946 55.3907 34.5415 175.4111 75 S 5.0627 8.1877 114.1858 57.6555 65.8111 172.1347 76 E 4.6683 9.1479 122.1742 55.3449 34.7526 174.3145 77 K 4.9693 9.1010 122.8460 54.8108 33.4724 174.3230 78 I 4.3206 8.4332 127.4321 60.3927 38.6190 175.9620 79 D 4.4617 9.8843 124.5862 55.1883 38.4112 174.2063 80 N 4.5686 8.5379 115.3279 53.3996 38.2737 173.6945 81 E 4.4002 8.1051 117.3108 56.1602 30.6621 175.7249 82 E 4.3882 8.4394 121.8586 56.2458 28.8918 175.3461 83 V 4.0479 8.7107 118.2330 60.1362 33.3360 174.6725 84 L 4.8209 8.9214 128.6766 53.6693 44.2255 175.3171 85 I 5.0576 9.0332 126.7649 58.7480 39.7595 174.6169 86 M 4.9060 8.0308 126.0527 53.7785 34.7649 175.1076 87 S 5.0094 8.7333 113.4162 56.9030 65.5222 175.2496 88 E 4.0186 8.8062 121.1646 59.0748 29.5825 179.2971 89 S 4.2428 7.5465 113.1059 61.4797 63.1853 175.4580 90 D 4.5169 8.1109 119.8310 56.6783 40.8145 176.3094 91 I 4.5267 7.3651 120.1168 60.6803 37.7826 175.5612 92 L 4.4088 8.8871 125.3675 56.2147 42.8998 176.6217 93 A 4.6211 7.4651 117.9785 51.6066 22.5609 175.4475 94 I 4.8753 8.0306 124.5380 61.8618 36.5417 177.3689 *95 V 3.9215 8.3543 124.6770 62.0982 32.1549 173.0551 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 3 I 8.02 4.07 1.86 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 1.29 1.11 0.90 0.00 0.00 4 R 7.96 4.11 0.00 1.80 1.81 0.00 3.28 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.74 0.00 5 P 0.00 4.35 0.00 2.38 2.13 0.00 3.72 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 2.14 2.10 0.00 6 L 8.27 4.55 0.00 1.60 1.62 0.96 1.03 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 7 H 8.61 4.06 0.00 3.63 3.39 0.00 5.90 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 8 D 9.27 4.70 0.00 2.91 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 9 R 7.40 4.60 0.00 1.73 1.78 0.00 3.23 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.52 0.00 10 V 9.01 4.52 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 0.93 0.00 0.00 0.90 0.00 0.00 11 I 8.82 4.86 1.84 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 1.19 0.62 0.88 0.00 0.00 12 V 8.80 5.01 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 0.67 0.00 0.00 0.76 0.00 0.00 13 K 8.73 4.75 0.00 1.83 1.92 0.00 1.32 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.46 7.81 14 R 8.55 4.45 0.00 1.95 1.94 0.00 3.31 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.97 0.00 15 K 8.65 4.51 0.00 1.86 1.79 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.46 7.81 16 E 8.75 3.99 0.00 1.93 1.90 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 2.32 2.38 0.00 17 V 8.46 3.73 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 0.88 0.00 0.00 0.94 0.00 0.00 18 E 8.89 3.55 0.00 2.07 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 2.26 2.37 0.00 19 T 7.62 3.90 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 1.20 0.00 0.00 20 K 8.51 4.08 0.00 1.86 1.86 0.00 1.75 0.00 0.00 1.87 0.00 0.00 3.17 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.62 7.81 21 S 8.01 4.43 0.00 4.00 4.09 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 22 A 7.86 4.21 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 23 G 7.25 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.00 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 25 I 8.89 3.84 1.87 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 1.30 0.57 0.91 0.00 0.00 26 V 7.52 3.73 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 0.95 0.00 0.00 0.93 0.00 0.00 27 L 8.34 4.48 0.00 1.70 1.55 0.92 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 28 T 8.56 4.43 4.23 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 1.24 0.00 0.00 29 G 8.38 4.33 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 0.00 30 S 8.44 4.71 0.00 3.77 3.68 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 31 A 9.57 4.33 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.54 3.77 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 33 A 7.85 4.33 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 34 K 8.65 4.13 0.00 1.84 1.53 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.50 1.51 7.81 35 S 5.99 4.80 0.00 3.80 3.65 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 36 T 8.14 3.29 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 1.05 0.00 0.00 37 R 7.61 4.90 0.00 1.78 1.87 0.00 2.99 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 38 G 9.36 4.81 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 0.00 0.00 0.00 39 E 9.03 5.15 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 2.21 2.26 0.00 40 V 9.07 4.00 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 0.90 0.00 0.00 1.02 0.00 0.00 41 L 8.56 4.54 0.00 1.65 1.65 0.95 0.73 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 42 A 8.27 4.50 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.53 4.08 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 0.78 0.00 0.00 0.95 0.00 0.00 44 G 8.76 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 0.00 0.00 0.00 45 N 7.91 4.78 0.00 2.86 2.84 0.00 0.00 6.94 7.53 0.00 0.00 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 G 8.28 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 0.00 0.00 0.00 47 R 8.03 4.71 0.00 1.97 1.79 0.00 3.10 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 48 I 8.09 4.25 1.65 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.30 0.85 0.00 0.00 49 L 7.40 4.55 0.00 1.59 1.51 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.05 3.45 0.00 2.10 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 2.17 2.28 0.00 51 N 7.97 4.47 0.00 2.88 2.87 0.00 0.00 7.25 7.98 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 52 G 7.60 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 53 E 7.95 3.70 0.00 2.12 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 2.21 2.27 0.00 54 V 8.09 3.87 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 0.79 0.00 0.00 0.90 0.00 0.00 55 K 9.02 4.36 0.00 1.71 1.71 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.68 1.54 7.81 56 P 0.00 4.76 0.00 2.07 2.08 0.00 3.71 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 2.00 0.00 57 L 8.22 4.97 0.00 1.59 1.67 0.96 1.07 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 58 D 9.16 4.82 0.00 2.60 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 59 V 7.85 3.87 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 0.72 0.00 0.00 0.92 0.00 0.00 60 K 8.10 4.63 0.00 1.87 1.84 0.00 1.51 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.41 7.81 61 V 8.25 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 0.87 0.00 0.00 0.92 0.00 0.00 62 G 8.70 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 0.00 0.00 0.00 63 D 7.48 4.76 0.00 2.87 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 64 I 8.14 4.99 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 1.37 0.77 1.00 0.00 0.00 65 V 9.12 4.83 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 0.80 0.00 0.00 1.06 0.00 0.00 66 I 8.89 5.13 1.89 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 1.26 0.71 0.86 0.00 0.00 67 F 8.69 5.22 0.00 3.22 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 68 N 9.27 4.79 0.00 2.76 2.89 0.00 0.00 7.09 8.06 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 69 D 8.25 4.78 0.00 2.56 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.72 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 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 8.65 3.97 0.00 2.88 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 72 G 8.34 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 0.00 0.00 0.00 73 V 6.67 2.94 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 0.70 0.00 0.00 1.10 0.00 0.00 74 K 8.32 4.51 0.00 1.76 1.67 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.44 7.81 75 S 8.19 5.06 0.00 3.80 3.65 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 76 E 9.15 4.67 0.00 1.84 1.76 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 2.21 2.38 0.00 77 K 9.10 4.97 0.00 1.65 1.68 0.00 1.88 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.41 7.81 78 I 8.43 4.32 1.86 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 1.29 0.50 0.90 0.00 0.00 79 D 9.88 4.46 0.00 2.77 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 80 N 8.54 4.57 0.00 2.83 3.08 0.00 0.00 7.19 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 81 E 8.11 4.40 0.00 2.23 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 2.29 2.32 0.00 82 E 8.44 4.39 0.00 1.86 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 2.32 2.29 0.00 83 V 8.71 4.05 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 0.67 0.00 0.00 0.92 0.00 0.00 84 L 8.92 4.82 0.00 1.69 1.51 0.94 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 85 I 9.03 5.06 1.81 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 0.86 1.59 0.86 0.00 0.00 86 M 8.03 4.91 0.00 1.77 2.23 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 87 S 8.73 5.01 0.00 4.12 3.99 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 88 E 8.81 4.02 0.00 2.03 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 2.31 2.29 0.00 89 S 7.55 4.24 0.00 3.96 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 90 D 8.11 4.52 0.00 2.86 2.81 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 91 I 7.37 4.53 2.03 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 1.30 0.60 1.01 0.00 0.00 92 L 8.89 4.41 0.00 1.61 1.73 0.93 0.76 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 93 A 7.47 4.62 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 94 I 8.03 4.88 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 1.30 0.66 1.00 0.00 0.00 *95 V 8.35 3.92 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 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.