NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.4190 8.4204 121.8879 54.9326 43.1504 175.9344 2 A 4.4446 8.4301 128.1969 49.8504 21.8169 173.3111 3 M 4.7207 9.2366 123.4232 53.8691 36.0859 173.1524 4 T 4.1062 8.4653 123.0835 63.5972 69.4011 173.8761 5 M 4.3850 8.4630 125.4700 54.6850 31.5179 175.6815 6 E 4.7661 8.4061 122.2699 54.4496 33.3484 176.3016 7 H 4.3688 9.0693 122.9928 59.1915 30.1381 176.7601 8 K 4.0328 7.9989 116.7095 58.3680 32.9840 176.3602 9 D 4.9181 7.2128 118.1609 52.0190 42.5644 176.3890 10 R 4.1584 8.4252 123.6161 55.5725 31.0553 175.7747 11 P 4.6577 0.0000 0.0000 62.4248 29.7811 174.2064 12 L 5.1031 7.9218 126.3128 54.4977 43.7163 176.0123 13 V 4.6394 8.6738 114.6821 59.7014 36.4899 174.8407 14 R 4.8484 8.4583 120.7156 55.5861 32.1679 175.7775 15 V 4.8639 8.6643 121.3980 61.1985 35.4183 173.7608 16 I 4.5494 8.9018 127.4514 59.1921 40.3106 173.9164 17 L 5.2117 8.9915 128.9611 53.3808 44.5143 175.5148 18 T 4.9646 8.7739 119.5167 61.6343 72.1876 172.5669 19 N 4.2963 8.8614 127.1099 53.1840 38.9358 174.6642 20 T 4.2087 8.0795 116.0500 61.1989 69.7050 175.1821 21 G 3.7240 7.6997 110.9457 45.8957 0.0000 173.7652 22 S 4.3414 8.4487 115.7031 58.7106 63.0937 173.0327 23 H 4.9980 7.0023 115.4619 53.0504 31.5585 170.9394 24 P 4.6128 0.0000 0.0000 62.5880 32.2139 175.9749 25 V 4.7831 7.7918 111.6374 59.7118 35.7111 175.4564 26 K 4.1415 9.5778 123.4186 58.9208 32.0973 177.9035 27 Q 4.6197 7.9286 116.2918 54.0705 31.8005 175.0204 28 R 4.1891 8.7927 123.3689 58.2004 31.5687 176.0392 29 S 5.9910 8.0169 113.0794 55.9034 65.8955 174.2505 30 V 4.5625 8.1382 115.4472 59.9064 36.2261 173.5574 31 Y 4.9304 8.6663 120.8456 56.5287 39.8040 174.9065 32 I 4.8472 8.6749 116.3523 59.6892 42.0376 173.7425 33 T 5.2532 8.4893 117.1378 61.8972 71.5508 173.6599 34 A 4.9148 9.0054 125.5660 50.3106 23.5256 174.6497 35 L 4.6910 8.7840 122.0803 54.1099 43.9241 176.0152 36 L 4.4867 8.4603 126.6692 54.5817 42.1824 176.3364 37 D 4.9014 8.8570 126.0881 52.2244 42.2306 176.8560 38 S 4.2517 8.9031 121.4924 60.3194 63.4362 175.4429 39 G 3.7851 8.3457 108.4694 45.7586 0.0000 173.0501 40 A 4.6626 7.7032 123.0296 50.3926 20.7864 178.1431 41 D 4.5252 8.8796 122.2548 56.4640 42.4340 176.2524 42 I 5.1566 7.5595 110.0709 59.0901 41.9383 174.7967 43 T 4.5446 8.2968 119.8595 63.4666 69.8232 174.0014 44 I 5.0440 8.8986 126.4050 59.6490 41.3759 174.3692 45 I 4.7192 8.6769 128.2330 59.7066 38.9044 176.0680 46 S 4.6627 8.9332 121.3039 58.0790 63.5795 175.3505 47 E 4.0392 8.5542 121.8478 59.4563 29.5397 178.5484 48 E 4.0991 8.2855 118.8385 59.2815 29.8018 177.5755 49 D 4.4119 7.9265 117.0281 55.9919 41.1987 176.4852 50 W 3.9348 7.7970 129.9204 55.9975 30.8856 173.9662 51 P 3.7634 0.0000 0.0000 62.5704 31.0795 177.2708 52 T 3.8219 8.4651 113.6289 64.6054 68.5166 174.4237 53 D 4.7830 7.8785 118.2820 52.5628 39.7905 175.6868 54 W 4.7217 8.0085 121.6241 55.4593 29.6423 174.5673 55 P 4.6988 0.0000 0.0000 63.3930 32.0046 175.5346 56 V 5.2922 8.3799 113.7764 60.2008 36.0560 174.1436 57 M 5.0082 8.9195 118.0817 53.7436 34.7087 174.4663 58 E 4.5694 8.7671 117.9046 56.3082 30.9155 175.4111 59 A 4.7005 8.3905 121.9584 50.4244 22.2914 176.3177 60 A 4.3661 8.0549 121.5648 50.2251 19.4732 175.6416 *70 G 3.7602 8.0650 109.4003 45.3993 0.0000 169.1935 71 I 4.5165 7.4014 122.1279 58.1442 41.0791 173.3786 72 P 4.3992 0.0000 0.0000 63.0804 31.6972 175.3296 73 M 4.9811 8.2393 118.3053 53.7938 34.8521 174.2692 74 R 4.6220 8.5590 118.8956 54.6487 33.8303 174.8676 75 K 4.9587 8.6240 118.7431 54.3384 35.5557 176.3913 76 S 4.3491 8.4980 119.0466 58.9382 62.5213 174.2272 77 R 4.2442 9.1972 128.1765 59.7116 30.2303 176.7269 78 D 4.8298 8.2314 116.6049 53.8767 42.2178 175.8536 79 M 3.0788 8.2572 120.7721 55.1087 33.6944 174.9118 80 I 4.6642 9.3297 126.0050 59.4763 40.8068 173.9990 81 E 4.8252 9.0250 126.6702 54.8336 31.6789 174.3895 82 L 5.0329 9.0630 128.9481 53.2519 45.0508 174.9688 83 G 4.3198 8.9388 114.2204 44.4053 0.0000 171.8529 84 V 4.4779 8.3745 126.1928 62.0425 33.1576 174.4307 85 I 4.7943 8.3940 129.4582 59.9456 38.1316 175.9284 86 N 4.6791 9.2386 125.0853 52.5170 39.3578 176.2711 87 R 3.9060 8.6764 119.3337 59.6315 30.1245 177.5606 88 D 4.5690 8.0756 114.0836 53.2974 39.5631 177.1147 89 G 3.9735 8.3788 108.6401 45.2733 0.0000 174.1801 90 S 4.4558 8.0035 114.7298 58.1260 64.5487 173.1392 91 L 5.1667 8.2835 121.4713 53.2828 43.3710 176.3270 92 E 4.3580 8.7495 122.7876 55.3845 30.7290 176.7646 93 R 3.9694 8.4243 121.9544 55.7607 30.6877 174.6191 94 P 4.7676 0.0000 0.0000 62.9297 32.4411 175.2761 95 L 4.9417 8.6137 120.0045 52.9417 45.7299 175.3641 96 L 5.2489 8.2838 120.8853 53.0133 43.6462 175.6771 97 L 4.4161 8.4545 122.6682 55.3318 44.6250 174.1489 98 F 5.0128 8.7432 118.1103 54.8034 39.9095 173.9128 99 P 4.6231 0.0000 0.0000 62.2721 33.0431 175.5043 100 A 4.6762 8.4265 122.2372 51.5655 20.3353 176.5393 101 V 4.7668 8.3645 119.7934 60.1931 34.3175 174.5033 102 A 4.6491 8.0813 127.1519 51.2093 22.8910 175.1503 103 M 4.8395 8.5668 120.0274 54.8055 30.7410 175.4622 104 V 4.5036 7.7554 115.9780 58.6406 36.3594 176.4388 105 R 4.1566 8.2041 121.4895 55.1022 28.2999 176.6225 106 G 4.0718 7.8599 105.8241 45.1097 0.0000 172.2524 107 S 4.6180 8.4339 116.2555 58.2960 64.6224 173.2255 108 I 4.9669 8.7713 122.7180 59.6273 41.2879 174.5384 109 L 4.7333 8.8073 127.0165 53.1615 43.1288 177.1723 110 G 4.1640 8.3643 113.2580 43.9152 0.0000 173.6868 111 R 4.1238 8.8376 118.0085 58.0689 29.5924 179.1094 112 D 4.3411 7.7207 118.7123 56.7827 39.5929 178.2516 113 C 4.2369 8.0076 117.5616 61.6067 28.3338 175.8675 114 L 4.0143 7.9461 121.0329 57.7325 41.1741 179.2717 115 Q 4.0353 8.2358 119.6655 59.2070 28.8370 178.4657 116 G 3.6866 7.6891 105.6039 47.4557 0.0000 174.8019 117 L 4.4094 7.6649 118.3244 54.4903 41.9800 177.4724 118 G 3.8677 7.8038 107.0412 45.9976 0.0000 174.0137 119 L 4.3294 7.8478 118.9997 54.0399 42.3122 176.7995 120 R 4.6426 8.0766 116.0510 54.2575 32.4435 174.1847 121 L 4.5077 8.2870 121.6537 53.9529 43.1783 175.5034 122 T 4.5812 8.0321 118.5978 61.4231 69.9650 172.1211 123 N 5.0159 8.6485 122.1691 52.5243 37.9287 174.4424 124 L 4.2563 8.0149 124.6170 55.5974 41.8268 176.4308 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 L 8.42 4.42 0.00 1.80 1.66 1.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 2 A 8.43 4.44 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 3 M 9.24 4.72 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 4 T 8.47 4.11 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 1.22 0.00 0.00 5 M 8.46 4.38 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 6 E 8.41 4.77 0.00 1.98 1.79 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 2.29 2.26 0.00 7 H 9.07 4.37 0.00 3.08 3.33 0.00 5.74 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.00 4.03 0.00 1.86 1.86 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.44 7.81 9 D 7.21 4.92 0.00 2.63 2.61 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 10 R 8.43 4.16 0.00 1.81 1.87 0.00 3.21 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 11 P 0.00 4.66 0.00 2.12 2.22 0.00 3.69 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 2.19 2.01 0.00 12 L 7.92 5.10 0.00 1.56 1.64 0.93 0.99 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 13 V 8.67 4.64 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 0.78 0.00 0.00 0.99 0.00 0.00 14 R 8.46 4.85 0.00 1.84 1.96 0.00 3.08 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 15 V 8.66 4.86 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 1.01 0.00 0.00 0.96 0.00 0.00 16 I 8.90 4.55 1.40 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 1.04 1.24 0.93 0.00 0.00 17 L 8.99 5.21 0.00 1.68 1.80 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.77 4.96 4.16 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 1.16 0.00 0.00 19 N 8.86 4.30 0.00 1.44 1.76 0.00 0.00 7.21 6.34 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 20 T 8.08 4.21 4.12 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 0.00 0.00 0.00 1.11 0.00 0.00 21 G 7.70 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 22 S 8.45 4.34 0.00 3.95 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 23 H 7.00 5.00 0.00 3.26 3.32 0.00 5.52 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.61 0.00 2.21 2.09 0.00 3.80 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 2.00 2.00 0.00 25 V 7.79 4.78 2.30 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 0.78 0.00 0.00 0.86 0.00 0.00 26 K 9.58 4.14 0.00 1.73 1.90 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.55 7.81 27 Q 7.93 4.62 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.07 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 28 R 8.79 4.19 0.00 1.94 1.91 0.00 3.11 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 29 S 8.02 5.99 0.00 3.76 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 30 V 8.14 4.56 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 0.57 0.00 0.00 0.59 0.00 0.00 31 Y 8.67 4.93 0.00 2.91 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 32 I 8.67 4.85 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.93 0.88 0.00 0.00 33 T 8.49 5.25 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 1.23 0.00 0.00 34 A 9.01 4.91 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 35 L 8.78 4.69 0.00 1.78 1.66 0.93 0.84 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 36 L 8.46 4.49 0.00 1.61 1.64 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.86 4.90 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.90 4.25 0.00 4.02 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 39 G 8.35 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 40 A 7.70 4.66 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 41 D 8.88 4.53 0.00 2.65 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 42 I 7.56 5.16 1.88 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 1.34 0.95 0.92 0.00 0.00 43 T 8.30 4.54 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 1.32 0.00 0.00 44 I 8.90 5.04 1.87 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 1.21 0.99 0.92 0.00 0.00 45 I 8.68 4.72 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.90 1.17 0.00 0.00 46 S 8.93 4.66 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 47 E 8.55 4.04 0.00 2.02 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 2.36 2.38 0.00 48 E 8.29 4.10 0.00 1.94 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 2.29 2.34 0.00 49 D 7.93 4.41 0.00 2.80 2.72 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 50 W 7.80 3.93 0.00 3.43 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 51 P 0.00 3.76 0.00 0.49 1.10 0.00 2.20 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.02 0.00 52 T 8.47 3.82 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 1.18 0.00 0.00 53 D 7.88 4.78 0.00 2.90 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 54 W 8.01 4.72 0.00 2.45 3.03 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 0.00 0.00 0.00 55 P 0.00 4.70 0.00 2.25 2.25 0.00 3.92 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.95 0.00 56 V 8.38 5.29 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 0.66 0.00 0.00 0.95 0.00 0.00 57 M 8.92 5.01 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.62 0.00 58 E 8.77 4.57 0.00 1.98 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 2.26 2.25 0.00 59 A 8.39 4.70 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.05 4.37 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 *70 G 8.06 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 71 I 7.40 4.52 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 1.45 0.99 0.90 0.00 0.00 72 P 0.00 4.40 0.00 2.20 2.03 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 73 M 8.24 4.98 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 74 R 8.56 4.62 0.00 1.65 1.93 0.00 3.00 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 75 K 8.62 4.96 0.00 1.60 1.63 0.00 1.60 0.00 0.00 1.49 0.00 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.29 7.81 76 S 8.50 4.35 0.00 4.04 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 77 R 9.20 4.24 0.00 1.98 2.26 0.00 3.38 0.00 0.00 3.33 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 78 D 8.23 4.83 0.00 2.65 2.45 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 79 M 8.26 3.08 0.00 1.79 1.34 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.20 0.00 80 I 9.33 4.66 1.93 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 1.37 1.21 1.06 0.00 0.00 81 E 9.02 4.83 0.00 1.92 1.73 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 2.21 2.20 0.00 82 L 9.06 5.03 0.00 1.73 1.49 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.94 4.32 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 0.00 84 V 8.37 4.48 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 1.00 0.00 0.00 0.95 0.00 0.00 85 I 8.39 4.79 2.06 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.93 0.96 0.00 0.00 86 N 9.24 4.68 0.00 2.93 2.78 0.00 0.00 6.58 7.41 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 87 R 8.68 3.91 0.00 1.80 2.02 0.00 3.37 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 88 D 8.08 4.57 0.00 2.78 2.77 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 89 G 8.38 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 90 S 8.00 4.46 0.00 3.93 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 91 L 8.28 5.17 0.00 1.55 1.63 0.96 1.01 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 92 E 8.75 4.36 0.00 1.87 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 2.47 2.41 0.00 93 R 8.42 3.97 0.00 1.77 1.84 0.00 3.24 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 94 P 0.00 4.77 0.00 2.10 2.02 0.00 3.75 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 1.97 1.99 0.00 95 L 8.61 4.94 0.00 1.60 1.56 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.28 5.25 0.00 1.44 1.45 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.45 4.42 0.00 1.75 1.76 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 98 F 8.74 5.01 0.00 2.83 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 99 P 0.00 4.62 0.00 2.11 2.24 0.00 3.84 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.16 0.00 100 A 8.43 4.68 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 0.00 101 V 8.36 4.77 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 0.99 0.00 0.00 -0.39 0.00 0.00 102 A 8.08 4.65 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 0.00 103 M 8.57 4.84 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 104 V 7.76 4.50 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 0.76 0.00 0.00 1.06 0.00 0.00 105 R 8.20 4.16 0.00 1.77 1.88 0.00 3.37 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 106 G 7.86 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 0.00 107 S 8.43 4.62 0.00 4.02 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 0.00 108 I 8.77 4.97 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 1.42 1.11 0.97 0.00 0.00 109 L 8.81 4.73 0.00 1.61 1.63 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.36 4.16 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 0.00 111 R 8.84 4.12 0.00 1.85 1.99 0.00 3.14 0.00 0.00 3.40 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 112 D 7.72 4.34 0.00 2.98 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 0.00 113 C 8.01 4.24 0.00 3.15 3.03 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 0.00 0.00 0.00 114 L 7.95 4.01 0.00 1.71 1.72 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.24 4.04 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 116 G 7.69 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 0.00 0.00 0.00 117 L 7.66 4.41 0.00 1.81 1.73 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 118 G 7.80 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 0.00 119 L 7.85 4.33 0.00 1.66 1.62 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.08 4.64 0.00 1.85 1.84 0.00 3.02 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 121 L 8.29 4.51 0.00 1.60 1.61 0.93 0.86 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 0.00 122 T 8.03 4.58 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 0.00 123 N 8.65 5.02 0.00 2.80 2.83 0.00 0.00 6.03 7.79 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 0.00 124 L 8.01 4.26 0.00 1.66 1.61 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.