NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5018 8.1633 120.2806 54.7248 34.0553 174.3542 2 K 4.3792 8.6638 124.7589 56.4630 33.2691 171.3348 3 V 4.8720 9.6143 119.2401 59.8583 36.9991 174.9147 4 I 4.5521 8.5641 122.3376 58.8889 38.2219 174.5440 5 L 3.5938 7.9836 125.5920 54.2951 43.0811 175.4239 6 L 4.5775 8.6528 118.5337 54.7922 44.0042 176.5742 7 E 4.2738 8.9711 120.9561 56.6369 31.0745 175.9244 8 P 4.7732 0.0000 0.0000 63.0242 31.7319 175.4897 9 L 4.8072 8.3104 124.3096 52.1482 45.6439 175.3946 10 E 4.0104 8.5777 120.6851 57.1593 29.9339 177.5173 11 N 4.2418 9.0485 122.3856 54.2170 38.9898 173.8846 12 L 4.6596 8.0753 117.5348 53.8139 41.6419 176.4793 13 G 3.7502 8.3088 116.3848 45.6709 0.0000 171.5821 14 D 4.3779 8.0376 118.6610 52.4190 40.6478 177.3293 15 V 4.1808 8.0330 117.7152 61.0713 31.9183 177.7426 16 G 3.8831 8.5179 106.1601 46.9147 0.0000 173.9608 17 Q 3.9921 8.4794 122.7961 56.2233 30.1122 175.4523 18 V 4.5537 8.5243 127.5206 61.9881 31.3874 174.9713 19 V 4.6516 8.4344 127.0760 59.5926 34.8510 174.0650 20 D 5.4408 8.4801 120.9910 52.1861 40.7899 175.9598 21 V 4.5167 8.5065 114.7047 59.1747 36.6583 174.4389 22 K 3.7247 8.7396 122.2465 56.8633 32.6255 175.0333 23 P 4.3622 0.0000 0.0000 66.4327 31.3875 178.0342 24 G 3.8239 8.4518 102.8834 49.0944 0.0000 174.2142 25 Y 3.9513 8.5816 118.2572 60.4037 38.8289 179.1727 26 A 3.8793 8.7212 119.7613 55.3519 19.0138 179.7880 27 R 3.8483 8.2112 116.2570 57.8884 30.4782 177.3967 28 N 4.8602 7.8244 113.1857 52.8913 39.8367 173.7259 29 Y 4.1532 7.7743 117.3382 57.2382 40.7078 176.8013 30 L 3.8050 7.5896 119.9575 58.6962 43.0565 178.3403 31 L 4.2998 8.7639 123.2072 57.2679 43.0212 177.5843 32 P 4.3214 0.0000 0.0000 65.8410 31.5780 178.2610 33 R 3.9864 8.3750 115.9906 55.8085 29.7421 178.5485 34 G 3.9600 8.1361 105.2903 46.4169 0.0000 175.7798 35 L 4.2114 7.9048 118.8726 55.6805 41.9404 176.1041 36 A 4.5381 7.0224 120.6723 52.0529 23.4771 175.3133 37 V 4.6899 7.4949 117.5107 60.7108 35.5626 174.4461 38 L 4.4238 8.6293 126.7002 55.9837 40.7407 177.7561 39 A 4.4150 9.1888 128.4630 52.2597 16.1537 177.5576 40 T 4.2430 7.7838 111.9763 60.9234 71.4017 175.7765 41 E 4.0317 8.7255 119.4627 60.2788 29.6792 178.6585 42 S 3.6222 8.4150 108.6796 61.6185 62.9712 176.4073 43 N 4.1439 8.4117 120.7377 56.8950 39.2997 175.9848 44 L 3.8956 7.6211 121.7325 58.5835 41.9924 179.3155 45 K 4.0482 8.6526 118.4890 59.6300 32.6174 178.5522 46 A 3.9396 7.8418 121.8182 55.1425 18.2255 178.9405 47 L 3.8563 7.7635 118.4296 58.7490 42.1806 179.0794 48 E 3.9540 7.7416 116.7441 60.1483 29.3526 178.3111 49 A 3.7978 8.3682 118.7092 55.7093 18.1370 179.4725 50 R 3.8456 8.3038 113.3328 59.4847 30.4827 179.2723 51 I 3.6866 7.9976 119.7094 63.9593 37.1006 177.7088 52 R 4.4300 7.9687 113.0778 55.9576 31.6657 177.6106 53 A 3.9360 8.5106 121.3762 55.3101 17.8316 179.2258 54 Q 3.9376 8.4143 118.1301 59.0937 28.9111 177.5655 55 A 4.4394 7.4304 118.6611 52.0776 18.9064 177.4802 56 K 4.4861 8.0586 115.6747 56.4334 32.6730 176.6405 57 R 4.3572 8.0096 120.1971 57.8532 31.3897 177.2770 58 L 3.8104 9.1713 117.7892 56.5225 42.5023 176.5102 59 A 4.6992 7.2214 122.0967 52.6569 18.0876 176.8401 60 E 4.6462 7.9059 120.0606 56.0316 31.7403 176.4736 61 R 4.4167 8.0683 114.9828 56.9117 31.4700 176.5324 62 K 4.2573 8.0539 116.4062 56.1901 32.4040 175.9486 63 A 4.6682 7.6821 116.8565 52.3907 19.2995 176.2792 64 E 4.3720 7.9223 115.8312 56.5011 30.0188 177.0525 65 A 4.5762 7.8091 121.1029 51.9080 19.4368 177.2558 66 E 4.7480 8.0720 114.0453 56.5577 30.5252 176.5572 67 R 4.5503 7.9251 116.1082 55.6252 31.9920 175.9434 68 L 4.3214 7.3675 117.6522 56.3261 42.7102 178.0011 69 K 4.1565 7.7695 117.8804 58.1310 32.3672 176.7704 70 E 5.3251 7.7890 117.9627 55.8412 30.4105 175.9378 71 I 4.6211 7.4763 111.2213 61.8867 44.2850 176.2877 72 L 4.2608 7.6968 119.8018 56.4250 41.9936 178.2242 73 E 4.2502 7.6799 117.8148 58.0479 29.6121 176.7715 74 N 4.8646 7.6447 112.9932 52.8840 39.1354 173.9445 75 L 4.5632 7.9060 120.4567 53.5404 43.8819 175.8275 76 T 4.8006 8.1607 117.6587 59.7459 71.5049 172.9620 77 L 4.4568 8.4244 117.7026 56.5884 43.7900 176.8726 78 T 4.2132 7.6906 110.4294 63.4652 65.1613 170.8727 79 I 4.4922 7.7152 124.6770 58.1196 40.0463 174.0393 80 P 4.2770 0.0000 0.0000 63.1625 31.2621 176.1866 81 V 4.4581 8.0016 122.1914 61.5718 34.5151 173.2796 82 R 4.4496 8.7588 127.0545 55.8211 31.3145 175.5257 83 A 4.2619 7.8481 125.1308 53.5541 21.1289 177.0472 84 G 4.0629 8.0493 106.4687 45.2661 0.0000 172.6061 85 E 4.7120 7.7253 126.2014 56.8099 26.5697 176.7319 86 T 4.7772 7.0619 115.2766 64.3521 76.4400 173.4228 87 K 4.4468 7.8488 123.7698 56.1856 33.4157 175.6070 88 I 4.2784 8.0458 126.7237 58.9988 40.0483 176.8466 89 Y 4.4202 8.1013 120.2028 59.2978 37.2230 176.8774 90 G 4.1377 9.2676 109.7229 47.0916 0.0000 175.3711 91 S 3.3490 8.2590 112.8327 58.6341 63.6518 171.6772 92 V 4.8990 8.6935 117.6659 59.9647 32.4674 174.2255 93 T 4.5026 7.8962 118.9305 60.0149 69.4403 175.5718 94 A 3.8533 8.0041 124.9498 55.1236 18.7660 179.2042 95 K 3.6384 7.8889 113.5323 60.4187 32.8116 177.7522 96 D 4.5426 8.6810 117.7021 57.8847 41.2413 179.9536 97 I 4.3996 6.9332 118.9601 60.3924 36.2924 176.2654 98 A 4.7031 7.6146 120.2318 52.8721 25.0918 177.4212 99 E 4.2183 8.2746 116.7947 58.4531 30.3439 177.5898 100 A 4.4494 7.8218 117.8148 52.4860 17.7827 177.2754 101 L 4.6029 7.7414 117.4070 55.5709 43.5299 177.1129 102 S 5.4202 8.6356 110.6933 58.4713 62.7467 174.3444 103 R 4.6394 7.5834 113.6978 56.7760 33.5722 175.3797 104 Q 4.2549 8.2338 118.8759 58.0659 29.7914 175.6144 105 H 4.7316 8.2043 112.2868 58.0221 30.3689 174.8885 106 G 4.0141 7.9120 106.9613 45.5898 0.0000 173.3420 107 V 4.4889 7.6144 112.4179 59.3361 35.0859 174.6380 108 T 4.6227 8.2534 117.5826 62.1298 69.5185 174.7519 109 I 4.3646 8.0842 126.9689 59.1374 38.6035 174.9179 110 D 4.5379 8.8429 125.3717 54.3359 41.1713 175.7155 111 P 4.6504 0.0000 0.0000 63.2655 32.3297 176.5218 112 K 4.3932 7.7856 118.0650 58.0480 34.4136 177.7906 113 R 3.8272 7.8579 113.8590 56.5823 29.4787 177.2530 114 L 4.1177 7.7695 120.6157 55.1976 42.2150 176.7797 115 A 3.5602 7.7244 119.4436 53.2102 15.6370 178.2923 116 L 4.4356 7.5484 123.4332 53.6049 41.7447 175.5865 117 E 4.0644 8.5825 122.4954 58.2697 29.8618 177.5725 118 K 4.6343 7.4879 118.8716 52.6006 35.2194 176.5008 119 P 4.5044 0.0000 0.0000 62.1904 30.5518 178.0478 120 I 2.8533 7.9039 120.1224 59.9359 35.6251 174.2149 121 K 3.6571 8.4645 122.1690 56.5507 29.5058 176.8615 122 E 5.9800 7.5112 121.4374 55.5784 32.8197 176.9258 123 L 4.1288 8.8233 128.5736 55.4836 42.3035 176.9888 124 G 3.6036 7.7584 110.1688 45.7829 0.0000 172.9971 125 E 4.5729 8.5440 119.2807 56.4045 27.4778 175.8614 126 Y 4.5638 9.6247 121.5187 56.5975 38.2739 173.4138 127 V 4.2489 8.2259 122.9626 61.7382 31.9703 174.7715 128 L 4.9210 8.1160 131.3732 54.5924 44.8639 176.8290 129 T 4.6592 8.1881 120.0618 63.7407 71.8012 173.1736 130 Y 4.8742 8.2865 132.3115 57.4572 40.5061 175.0712 131 K 4.2267 7.0508 118.6817 55.4343 34.9164 172.7576 132 P 4.8710 0.0000 0.0000 63.9728 34.4525 176.1679 133 H 4.0125 8.6070 112.0257 55.1898 31.0565 173.9189 134 P 4.0983 0.0000 0.0000 62.4733 31.0949 175.4673 135 E 4.4555 8.6444 122.9997 56.2418 31.0586 177.5042 136 V 4.2938 8.2986 121.0945 59.1730 33.4194 172.4288 137 P 5.5411 0.0000 0.0000 62.6191 29.1002 174.6195 138 I 4.1231 7.8717 128.3555 62.1244 38.3429 174.8007 139 Q 4.6845 8.7247 127.9618 55.2571 31.1828 174.1765 140 L 4.5753 9.0966 126.5694 53.3806 45.0867 175.6721 141 K 4.6231 8.6907 127.5097 55.4403 33.1059 175.8903 142 V 4.6164 8.2284 119.4347 59.8273 33.8104 175.5482 143 S 4.5312 8.3223 119.5702 57.2646 64.4091 172.5099 144 V 4.3417 8.3721 116.7748 61.7119 34.5756 175.5177 145 V 3.5843 8.6092 123.3459 62.3795 31.4775 170.1819 *146 A 4.1219 8.5161 129.4383 52.4599 18.7144 175.8736 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 8.16 4.50 0.00 2.03 2.33 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 2 K 8.66 4.38 0.00 1.77 1.78 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.49 7.81 3 V 9.61 4.87 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 0.90 0.00 0.00 1.07 0.00 0.00 4 I 8.56 4.55 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 1.24 1.25 0.92 0.00 0.00 5 L 7.98 3.59 0.00 1.63 1.63 1.09 0.47 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 6 L 8.65 4.58 0.00 1.63 1.44 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.97 4.27 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 2.34 2.42 0.00 8 P 0.00 4.77 0.00 2.08 2.10 0.00 3.34 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.85 0.00 9 L 8.31 4.81 0.00 1.76 1.68 1.04 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.58 4.01 0.00 1.97 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 2.37 2.23 0.00 11 N 9.05 4.24 0.00 2.84 2.87 0.00 0.00 6.92 7.78 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 12 L 8.08 4.66 0.00 1.79 1.73 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.31 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.04 4.38 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.03 4.18 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 0.91 0.00 0.00 0.94 0.00 0.00 16 G 8.52 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 17 Q 8.48 3.99 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 18 V 8.52 4.55 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 0.87 0.00 0.00 0.94 0.00 0.00 19 V 8.43 4.65 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 0.78 0.00 0.00 0.93 0.00 0.00 20 D 8.48 5.44 0.00 2.69 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.51 4.52 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 0.59 0.00 0.00 1.04 0.00 0.00 22 K 8.74 3.72 0.00 1.78 1.79 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.58 7.81 23 P 0.00 4.36 0.00 2.22 2.14 0.00 3.70 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 24 G 8.45 3.82 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 0.00 0.00 0.00 25 Y 8.58 3.95 0.00 2.93 3.05 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 26 A 8.72 3.88 1.46 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 0.00 0.00 27 R 8.21 3.85 0.00 1.84 2.01 0.00 3.13 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 28 N 7.82 4.86 0.00 2.86 2.84 0.00 0.00 6.68 6.96 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 29 Y 7.77 4.15 0.00 2.50 1.96 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 30 L 7.59 3.80 0.00 1.86 1.70 1.25 1.11 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 31 L 8.76 4.30 0.00 1.65 1.70 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.32 0.00 2.15 2.00 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 33 R 8.37 3.99 0.00 1.56 1.68 0.00 2.21 0.00 0.00 2.67 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.20 0.00 34 G 8.14 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 35 L 7.90 4.21 0.00 1.73 1.78 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.02 4.54 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 37 V 7.49 4.69 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 0.89 0.00 0.00 0.93 0.00 0.00 38 L 8.63 4.42 0.00 1.68 1.71 0.93 0.49 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 39 A 9.19 4.41 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 40 T 7.78 4.24 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 1.25 0.00 0.00 41 E 8.73 4.03 0.00 2.08 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 2.32 2.35 0.00 42 S 8.42 3.62 0.00 3.86 3.73 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 43 N 8.41 4.14 0.00 2.73 2.89 0.00 0.00 6.44 6.74 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 44 L 7.62 3.90 0.00 1.90 1.85 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.65 4.05 0.00 2.00 2.06 0.00 1.40 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.65 1.49 7.81 46 A 7.84 3.94 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 47 L 7.76 3.86 0.00 2.04 1.73 0.98 1.10 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 48 E 7.74 3.95 0.00 2.26 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 2.34 2.48 0.00 49 A 8.37 3.80 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 50 R 8.30 3.85 0.00 2.03 2.03 0.00 3.17 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 51 I 8.00 3.69 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 1.76 0.93 0.91 0.00 0.00 52 R 7.97 4.43 0.00 1.98 2.12 0.00 2.78 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.53 0.00 53 A 8.51 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 54 Q 8.41 3.94 0.00 2.04 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 55 A 7.43 4.44 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 56 K 8.06 4.49 0.00 1.82 1.94 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.34 7.81 57 R 8.01 4.36 0.00 1.95 1.94 0.00 3.10 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 58 L 9.17 3.81 0.00 1.74 1.81 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.22 4.70 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 60 E 7.91 4.65 0.00 2.09 1.88 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 2.27 2.36 0.00 61 R 8.07 4.42 0.00 1.91 2.08 0.00 3.33 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 62 K 8.05 4.26 0.00 1.74 1.81 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.39 7.81 63 A 7.68 4.67 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 64 E 7.92 4.37 0.00 2.28 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 2.44 2.35 0.00 65 A 7.81 4.58 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 66 E 8.07 4.75 0.00 1.92 1.93 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 2.21 2.30 0.00 67 R 7.93 4.55 0.00 1.74 1.91 0.00 3.32 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 68 L 7.37 4.32 0.00 1.92 1.59 0.88 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.77 4.16 0.00 1.96 1.82 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.22 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.56 7.81 70 E 7.79 5.33 0.00 1.98 1.93 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 2.23 2.31 0.00 71 I 7.48 4.62 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 1.39 0.60 0.90 0.00 0.00 72 L 7.70 4.26 0.00 1.83 1.70 0.94 0.69 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 73 E 7.68 4.25 0.00 1.89 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 2.33 2.29 0.00 74 N 7.64 4.86 0.00 2.89 2.77 0.00 0.00 6.64 7.73 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 75 L 7.91 4.56 0.00 1.83 1.51 0.85 0.83 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 76 T 8.16 4.80 4.26 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 1.28 0.00 0.00 77 L 8.42 4.46 0.00 1.63 1.70 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.69 4.21 4.26 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 1.22 0.00 0.00 79 I 7.72 4.49 1.90 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 1.42 0.89 0.93 0.00 0.00 80 P 0.00 4.28 0.00 2.06 2.05 0.00 3.70 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 81 V 8.00 4.46 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 0.76 0.00 0.00 0.98 0.00 0.00 82 R 8.76 4.45 0.00 1.97 2.37 0.00 3.63 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 83 A 7.85 4.26 1.16 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 0.00 0.00 84 G 8.05 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 0.00 0.00 0.00 85 E 7.73 4.71 0.00 2.04 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 0.00 2.09 2.01 0.00 86 T 7.06 4.78 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 1.28 0.00 0.00 87 K 7.85 4.45 0.00 1.72 1.64 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.49 7.81 88 I 8.05 4.28 1.85 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 1.45 0.75 0.90 0.00 0.00 89 Y 8.10 4.42 0.00 3.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.27 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 91 S 8.26 3.35 0.00 4.28 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 92 V 8.69 4.90 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 0.74 0.00 0.00 1.05 0.00 0.00 93 T 7.90 4.50 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 1.21 0.00 0.00 94 A 8.00 3.85 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 95 K 7.89 3.64 0.00 1.76 1.87 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.45 7.81 96 D 8.68 4.54 0.00 2.78 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 97 I 6.93 4.40 1.89 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 1.24 0.61 0.92 0.00 0.00 98 A 7.61 4.70 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 99 E 8.27 4.22 0.00 1.98 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 2.24 2.38 0.00 100 A 7.82 4.45 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 0.00 101 L 7.74 4.60 0.00 1.63 1.55 0.82 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.64 5.42 0.00 3.98 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.58 4.64 0.00 1.78 1.87 0.00 3.25 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 104 Q 8.23 4.25 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 105 H 8.20 4.73 0.00 3.12 3.27 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 7.91 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 0.00 0.00 0.00 107 V 7.61 4.49 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 0.83 0.00 0.00 0.99 0.00 0.00 108 T 8.25 4.62 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 1.23 0.00 0.00 109 I 8.08 4.36 2.04 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 1.39 0.46 0.90 0.00 0.00 110 D 8.84 4.54 0.00 2.84 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 4.65 0.00 2.18 2.17 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 1.96 1.99 0.00 112 K 7.79 4.39 0.00 1.72 1.80 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.40 1.35 7.81 113 R 7.86 3.83 0.00 1.26 0.97 0.00 3.29 0.00 0.00 3.06 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.83 0.00 114 L 7.77 4.12 0.00 1.66 1.74 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.72 3.56 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 0.00 116 L 7.55 4.44 0.00 1.56 1.58 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.58 4.06 0.00 2.09 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 2.24 2.30 0.00 118 K 7.49 4.63 0.00 1.67 1.67 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.35 7.81 119 P 0.00 4.50 0.00 2.26 2.31 0.00 3.75 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 2.06 1.98 0.00 120 I 7.90 2.85 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.28 0.84 0.00 0.00 121 K 8.46 3.66 0.00 1.89 1.88 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.40 7.81 122 E 7.51 5.98 0.00 2.11 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 0.00 2.08 1.94 0.00 123 L 8.82 4.13 0.00 1.57 1.84 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.76 3.60 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 0.00 125 E 8.54 4.57 0.00 1.76 1.87 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 2.20 2.22 0.00 126 Y 9.62 4.56 0.00 3.01 2.85 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 0.00 0.00 0.00 127 V 8.23 4.25 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 0.80 0.00 0.00 0.95 0.00 0.00 128 L 8.12 4.92 0.00 1.71 1.29 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.19 4.66 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 1.25 0.00 0.00 130 Y 8.29 4.87 0.00 3.10 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 0.00 131 K 7.05 4.23 0.00 1.56 1.34 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.02 1.12 7.81 132 P 0.00 4.87 0.00 2.16 2.01 0.00 3.96 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 133 H 8.61 4.01 0.00 3.35 3.32 0.00 5.59 0.00 0.00 0.00 0.00 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.10 0.00 2.02 2.17 0.00 3.49 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 1.99 2.15 0.00 135 E 8.64 4.46 0.00 1.89 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 2.34 2.51 0.00 136 V 8.30 4.29 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 0.89 0.00 0.00 137 P 0.00 5.54 0.00 2.12 2.18 0.00 3.48 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.86 0.00 138 I 7.87 4.12 1.90 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 1.18 1.27 0.96 0.00 0.00 139 Q 8.72 4.68 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 140 L 9.10 4.58 0.00 1.77 1.75 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.69 4.62 0.00 1.76 1.75 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.62 1.47 7.81 142 V 8.23 4.62 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 0.87 0.00 0.00 1.17 0.00 0.00 143 S 8.32 4.53 0.00 3.76 3.69 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 0.00 144 V 8.37 4.34 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 0.87 0.00 0.00 0.93 0.00 0.00 145 V 8.61 3.58 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 0.79 0.00 0.00 0.94 0.00 0.00 *146 A 8.52 4.12 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 * Residues marked with a * may have inaccurate shift predictions.