NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 V 3.7902 7.9127 120.3687 62.2985 31.8388 175.2625 5 E 3.6886 8.7358 129.5669 58.5609 29.8783 177.8233 6 S 4.2716 8.8187 114.2825 61.2747 63.6018 175.4223 7 F 4.6742 7.8177 117.8908 60.0257 38.6588 175.8282 8 E 4.4231 8.1509 118.3843 56.5320 29.9161 176.2714 9 L 4.1372 7.7116 121.5631 54.6574 42.7943 176.3685 10 D 4.7174 8.6452 125.5336 53.4988 39.9469 176.1897 11 H 4.4019 8.7563 123.7769 58.2028 29.1011 177.1069 12 N 4.5135 8.3198 115.9575 55.3715 38.5120 175.8784 13 A 4.5020 7.9116 119.6840 53.1366 19.8035 177.9953 14 V 3.6873 7.6818 108.3248 61.1362 32.2243 176.2126 15 V 4.1989 8.3262 121.1803 60.9858 32.3597 175.1836 16 A 4.5039 8.4083 128.6436 50.6940 19.5484 174.9610 17 P 4.6505 0.0000 0.0000 63.1062 32.3351 175.3535 18 Y 4.8305 8.0907 119.0950 56.2270 41.9962 173.2571 19 V 5.0268 8.7147 120.3614 61.2318 33.6696 174.6238 20 R 4.6650 9.2966 128.2654 54.7498 33.0126 173.8154 21 H 4.5547 9.1877 127.0554 55.9564 29.2313 173.8739 22 C 4.5530 8.7534 121.7234 59.0149 31.0882 174.1348 23 G 4.3295 7.5413 105.3533 44.9631 0.0000 172.4081 24 V 5.0566 8.0351 120.5974 60.0259 34.7287 174.5101 25 H 4.8685 9.0837 119.3479 53.7983 32.9979 172.6346 26 K 4.5349 8.7608 124.5781 56.4314 33.1838 176.1359 27 V 4.2112 8.3906 126.5777 62.2069 34.6570 176.0850 28 G 4.0378 8.7166 117.0490 46.1712 0.0000 172.9256 29 T 4.2828 8.5061 108.1737 63.0036 69.6331 175.3747 30 D 4.7075 8.0107 117.9610 52.9026 41.1783 174.7775 31 G 4.2731 8.1679 107.6903 45.3762 0.0000 173.3859 32 V 5.1517 8.0802 111.9323 59.5264 36.6328 174.4001 33 V 4.8473 8.8130 123.0949 61.2963 34.1375 174.0598 34 N 5.4632 9.1393 124.5033 51.3121 41.8422 173.3624 35 K 5.1407 8.7352 123.5109 54.6616 35.6014 174.6909 36 F 5.2729 9.3475 124.6893 55.7243 43.1566 173.6404 37 D 4.6949 9.5156 123.7933 53.5862 42.2171 175.4651 38 I 4.5796 8.9018 129.6246 60.0229 38.1998 174.4910 39 R 4.4939 8.5878 128.7699 54.9688 30.6454 176.5531 40 F 4.4958 9.3875 125.7938 60.3725 39.5688 175.9762 41 C 4.9854 8.1941 114.4468 57.6949 30.8170 173.6431 42 Q 4.1498 8.5814 122.8271 54.9466 29.1375 173.7182 43 P 4.4493 0.0000 0.0000 64.5749 31.7134 175.6699 44 N 4.3507 9.0881 118.1020 54.0251 36.2907 174.4011 45 K 4.4540 8.3868 116.7783 57.5754 34.4066 176.4563 46 Q 4.6325 7.7765 113.5081 54.3340 32.7507 173.7986 47 A 4.7184 7.9679 119.2449 51.1168 22.1547 175.9663 48 M 4.3573 8.6384 119.9092 54.5993 33.3581 176.8123 49 K 4.1861 8.3982 120.2438 55.6065 33.5349 176.3256 50 P 4.1868 0.0000 0.0000 65.9559 31.1766 178.7937 51 D 4.4833 7.9931 117.2847 56.7242 39.0866 178.4735 52 T 3.8197 7.8492 116.7640 66.4687 68.4522 176.3514 53 I 4.0033 7.8199 122.9625 64.0390 37.0897 178.0778 54 H 4.2707 8.3556 118.9812 59.6456 29.6690 177.4821 55 T 3.8298 8.0591 117.6852 66.6161 68.2289 176.4806 56 L 3.8707 8.2360 122.4759 57.7590 41.9937 178.4986 57 E 3.8290 8.5035 119.6088 59.6550 29.6299 178.4835 58 H 4.1403 8.2756 116.0088 58.9637 28.8494 177.8121 59 L 4.0473 8.2013 120.8880 57.7770 41.4368 179.6622 60 L 3.9652 8.4598 120.3510 57.2158 41.3419 179.3544 61 A 3.9930 7.8658 119.4451 55.2713 18.3816 179.1914 62 F 4.3100 8.3235 118.4011 61.0813 39.1440 176.8099 63 T 4.2059 7.9447 108.7670 63.6231 69.2717 176.8654 64 I 4.0175 7.8580 122.7377 63.0164 37.9348 177.9894 65 R 3.8574 7.9161 118.8830 59.3199 29.7267 178.5349 66 S 4.4371 6.9935 112.8741 61.3596 62.3192 175.7291 67 H 4.3376 8.0473 118.0190 58.6186 28.5305 177.4618 68 A 4.3267 8.4472 123.0860 54.6326 18.1542 179.2924 69 E 3.8925 8.0084 115.7581 59.1571 29.2628 179.2846 70 K 4.0541 7.4503 117.2286 57.2193 32.1154 176.2350 71 Y 4.4373 7.1180 117.5790 56.5617 38.4102 175.4283 72 D 4.5298 8.7573 124.8151 55.7031 41.5777 176.5565 73 H 5.0710 7.8462 114.0101 55.4777 30.0581 174.1443 74 F 5.3217 7.5035 112.8385 55.9642 41.1664 173.3324 75 D 4.8660 9.1756 118.3027 52.5979 45.4810 174.8161 76 I 4.3066 8.4137 122.4078 61.6405 37.4293 175.6185 77 I 4.2381 8.7881 128.3926 63.1922 38.3033 175.7456 78 D 4.6931 7.6405 118.4392 53.2144 44.5978 173.7825 79 I 5.2023 8.3964 123.8438 59.5199 40.6549 174.4904 80 S 5.0800 9.2306 124.5020 56.0009 67.4017 171.9624 81 P 4.3736 0.0000 0.0000 62.9381 32.1086 175.6799 82 M 4.3570 8.2391 121.5704 53.7898 32.9903 178.7498 83 G 3.8008 8.3673 113.2433 45.4903 0.0000 174.1382 *85 Q 4.1253 8.0519 114.8213 55.3605 30.5979 177.0048 86 T 4.4727 7.6484 107.1854 60.7526 70.3955 174.2792 87 G 4.3324 6.5883 108.5361 46.4422 0.0000 171.0301 88 Y 4.9971 7.9709 116.2895 56.5407 42.9330 174.0469 89 Y 5.0240 8.9845 119.8020 56.5678 40.4861 174.3822 90 L 5.2710 9.2197 125.9782 53.3271 44.9056 174.9049 91 V 4.9011 9.0422 126.8442 61.3420 33.7919 174.7562 92 V 5.1747 9.0352 120.8199 59.6185 36.0907 174.6962 93 S 4.9332 9.2338 118.0452 58.3401 65.3397 174.8080 94 G 4.4208 8.9960 108.2274 46.3551 0.0000 172.1196 95 E 4.5125 8.3594 117.7423 55.3519 30.5141 175.8106 96 T 4.5127 8.0012 116.5606 60.4562 70.5374 172.1600 97 T 4.8928 7.7451 112.0781 59.0969 73.1434 174.6426 98 S 4.0490 8.8228 117.0932 61.7962 62.8743 176.9147 99 A 3.9740 7.9272 122.9303 55.1193 18.1581 179.1472 100 E 3.8949 8.0559 117.6380 59.4225 29.6380 179.1141 101 I 3.3658 7.5023 119.9283 63.9903 36.9566 178.4824 102 V 3.6811 8.0280 119.5100 66.1917 31.3774 177.8053 103 D 4.3932 8.0161 118.3903 57.2626 40.6476 178.5124 104 L 4.0877 8.1049 120.8320 58.3928 42.0880 179.1443 105 L 3.9219 8.3418 119.2580 57.4190 41.3690 179.1922 106 E 4.0051 8.4762 119.5366 59.5610 29.5482 178.6519 107 D 4.2975 8.1395 118.8959 57.4758 40.2599 179.0326 108 T 3.7577 7.9671 116.2695 67.0724 68.4808 176.8169 109 M 4.1620 8.4070 120.8696 58.1049 31.7048 178.9349 110 K 3.9561 8.1060 118.4152 59.2942 32.4607 178.7121 111 E 4.0849 8.0474 119.4004 59.3245 29.6991 178.6781 112 A 4.0853 8.3231 121.0715 55.2119 18.1910 179.8246 113 V 3.7659 7.9633 109.9049 63.6480 31.6662 177.4449 114 E 4.3902 7.8957 116.5999 55.5273 30.1044 176.4512 115 I 3.9542 7.2276 121.6800 61.4913 37.6352 175.9775 116 T 4.4075 8.4356 113.5416 61.4076 70.2147 174.0472 117 E 4.5345 7.7677 122.2707 53.8660 32.2666 174.8146 118 I 3.7332 8.2144 127.2370 60.3208 36.4642 174.1849 119 P 3.8593 0.0000 0.0000 63.4498 31.5087 176.4011 120 A 3.8175 8.4352 123.7767 53.3345 16.2369 178.5286 121 A 4.3448 7.0424 123.2165 51.4180 17.2014 177.1353 122 N 4.9681 7.3394 118.8312 50.7715 40.5886 176.6744 123 E 3.9844 8.6782 118.8249 59.2581 29.8321 178.7617 124 K 4.0851 8.2067 119.1133 58.7162 32.3831 177.1481 125 Q 4.5433 8.0677 114.7910 55.7046 29.4813 174.9029 126 C 4.7953 7.7883 118.0808 57.7722 34.6879 174.0591 127 G 3.8390 8.7507 114.1620 47.2674 0.0000 174.2709 128 Q 4.6040 7.5954 119.9651 54.7531 29.9224 174.1739 129 A 4.1471 8.0652 123.6832 54.5703 19.0759 179.4359 130 K 4.1431 7.9760 113.8685 58.4177 32.8045 177.6269 131 L 4.4019 7.4953 122.8939 53.5341 40.2813 174.9506 132 H 4.8462 7.5719 116.4574 53.3363 33.4000 174.4417 133 D 4.4989 8.9921 122.0345 52.0837 42.5565 175.6368 134 L 3.9418 8.2890 128.1454 57.9032 42.3183 178.0914 135 E 4.0647 8.2872 118.2169 59.2865 29.4317 179.4566 136 G 3.6170 8.9494 106.9366 47.1811 0.0000 175.5684 137 A 4.0084 8.0242 123.4598 54.9017 18.3053 179.9178 138 K 3.9895 8.3093 117.0851 59.4654 32.0908 179.5009 139 R 3.9432 8.2702 119.2138 59.5874 30.0047 178.6630 140 L 4.2882 8.1070 118.7460 58.0563 41.5315 179.3994 141 M 4.4238 8.4349 118.8342 58.5543 31.6867 179.0010 142 R 4.0280 8.3413 117.7561 59.0854 30.5858 178.5208 143 F 4.4584 8.5500 120.5927 61.0590 39.4147 176.9263 144 W 3.6863 8.6346 127.8961 60.4738 30.3753 177.8342 145 L 4.2451 8.2961 117.1367 56.8016 41.1121 178.9588 146 S 4.2149 7.5649 113.1032 59.4792 63.5068 174.3827 147 Q 4.1469 6.8674 121.6965 54.8496 29.7122 175.9986 148 D 4.4667 8.1562 121.0613 53.8464 42.8286 177.8432 149 K 3.8220 8.5921 122.9706 59.7091 31.9169 179.4012 150 E 3.9735 8.0352 116.2092 59.5022 29.6864 178.6494 151 E 4.0601 7.8654 118.9887 59.0341 29.6478 178.9215 152 L 3.9744 7.7533 118.8933 57.1582 41.3742 178.5863 153 L 4.5991 7.4576 116.3327 54.2821 42.8339 177.4181 154 K 4.3426 7.6909 120.4907 54.3410 31.2512 177.0118 155 V 2.9436 7.9473 124.2994 64.7451 31.6711 177.3984 156 F 4.7588 7.8568 115.8430 56.6894 39.3141 175.6218 157 G 4.1543 7.8283 116.1561 46.0823 0.0000 174.1030 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 4 V 7.91 3.79 1.02 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 -0.06 0.00 0.00 0.59 0.00 0.00 5 E 8.74 3.69 0.00 2.03 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 2.39 2.40 0.00 6 S 8.82 4.27 0.00 4.05 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 7 F 7.82 4.67 0.00 3.14 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 8 E 8.15 4.42 0.00 2.14 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 2.55 2.42 0.00 9 L 7.71 4.14 0.00 1.70 1.80 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.65 4.72 0.00 2.78 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 11 H 8.76 4.40 0.00 3.23 3.44 0.00 5.75 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.32 4.51 0.00 2.99 2.93 0.00 0.00 6.88 6.79 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 13 A 7.91 4.50 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.68 3.69 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 0.47 0.00 0.00 1.14 0.00 0.00 15 V 8.33 4.20 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 1.02 0.00 0.00 16 A 8.41 4.50 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 17 P 0.00 4.65 0.00 1.08 1.71 0.00 3.52 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.81 0.00 18 Y 8.09 4.83 0.00 3.06 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 19 V 8.71 5.03 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 0.89 0.00 0.00 1.22 0.00 0.00 20 R 9.30 4.67 0.00 1.93 2.00 0.00 3.07 0.00 0.00 2.79 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.47 0.00 21 H 9.19 4.55 0.00 3.29 3.19 0.00 5.78 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.75 4.55 0.00 3.25 3.13 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 0.00 0.00 0.00 0.00 23 G 7.54 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 24 V 8.04 5.06 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 0.69 0.00 0.00 1.01 0.00 0.00 25 H 9.08 4.87 0.00 3.03 3.16 0.00 5.61 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 26 K 8.76 4.53 0.00 1.75 1.71 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.50 7.81 27 V 8.39 4.21 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 0.91 0.00 0.00 0.95 0.00 0.00 28 G 8.72 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 29 T 8.51 4.28 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 30 D 8.01 4.71 0.00 2.73 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 31 G 8.17 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 32 V 8.08 5.15 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 0.76 0.00 0.00 0.98 0.00 0.00 33 V 8.81 4.85 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 1.12 0.00 0.00 0.96 0.00 0.00 34 N 9.14 5.46 0.00 2.74 2.50 0.00 0.00 6.16 8.32 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 35 K 8.74 5.14 0.00 1.77 1.56 0.00 1.39 0.00 0.00 1.08 0.00 0.00 2.66 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.43 1.37 7.81 36 F 9.35 5.27 0.00 3.07 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 37 D 9.52 4.69 0.00 2.95 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 38 I 8.90 4.58 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.72 0.59 0.00 0.00 39 R 8.59 4.49 0.00 1.27 0.66 0.00 3.12 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.50 0.00 40 F 9.39 4.50 0.00 3.14 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.19 4.99 0.00 2.89 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 42 Q 8.58 4.15 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.01 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 43 P 0.00 4.45 0.00 2.35 2.15 0.00 3.97 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 44 N 9.09 4.35 0.00 2.90 2.93 0.00 0.00 6.88 7.61 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 45 K 8.39 4.45 0.00 1.88 1.82 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.55 7.81 46 Q 7.78 4.63 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 47 A 7.97 4.72 1.15 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 0.00 0.00 48 M 8.64 4.36 0.00 1.82 2.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 49 K 8.40 4.19 0.00 1.71 1.75 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.39 7.81 50 P 0.00 4.19 0.00 2.12 2.08 0.00 3.57 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.27 0.00 51 D 7.99 4.48 0.00 2.85 2.90 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 52 T 7.85 3.82 4.37 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 1.19 0.00 0.00 53 I 7.82 4.00 1.99 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.64 0.82 0.00 0.00 54 H 8.36 4.27 0.00 3.23 3.44 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.06 3.83 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 1.17 0.00 0.00 56 L 8.24 3.87 0.00 1.74 1.75 0.80 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.50 3.83 0.00 2.43 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 0.00 2.40 2.51 0.00 58 H 8.28 4.14 0.00 3.37 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.20 4.05 0.00 1.76 1.73 0.90 0.71 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 60 L 8.46 3.97 0.00 1.44 1.54 0.26 0.23 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 61 A 7.87 3.99 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 62 F 8.32 4.31 0.00 3.01 3.25 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 63 T 7.94 4.21 4.30 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 1.38 0.00 0.00 64 I 7.86 4.02 1.99 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 1.57 2.13 0.98 0.00 0.00 65 R 7.92 3.86 0.00 1.74 1.89 0.00 3.32 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.59 0.00 66 S 6.99 4.44 0.00 3.88 3.70 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 67 H 8.05 4.34 0.00 3.26 3.40 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 68 A 8.45 4.33 1.35 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 0.00 0.00 69 E 8.01 3.89 0.00 2.14 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 0.00 2.49 2.27 0.00 70 K 7.45 4.05 0.00 1.26 1.62 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.48 7.81 71 Y 7.12 4.44 0.00 2.27 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 72 D 8.76 4.53 0.00 2.71 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 73 H 7.85 5.07 0.00 3.40 3.63 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 7.50 5.32 0.00 3.13 3.12 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 0.00 75 D 9.18 4.87 0.00 2.60 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 76 I 8.41 4.31 1.90 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.78 0.96 0.00 0.00 77 I 8.79 4.24 2.06 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 1.15 0.58 0.93 0.00 0.00 78 D 7.64 4.69 0.00 2.79 2.49 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 0.00 0.00 0.00 0.00 79 I 8.40 5.20 1.89 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.34 0.90 0.00 0.00 80 S 9.23 5.08 0.00 3.90 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 81 P 0.00 4.37 0.00 1.91 1.83 0.00 3.84 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 82 M 8.24 4.36 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.23 0.00 83 G 8.37 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 *85 Q 8.05 4.13 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 86 T 7.65 4.47 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 1.28 0.00 0.00 87 G 6.59 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 88 Y 7.97 5.00 0.00 2.92 2.89 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 89 Y 8.98 5.02 0.00 3.07 2.90 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 90 L 9.22 5.27 0.00 1.81 1.67 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 91 V 9.04 4.90 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 1.02 0.00 0.00 0.98 0.00 0.00 92 V 9.04 5.17 2.40 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 0.77 0.00 0.00 1.02 0.00 0.00 93 S 9.23 4.93 0.00 3.93 4.03 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 94 G 9.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.36 4.51 0.00 2.06 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 2.32 2.28 0.00 96 T 8.00 4.51 3.49 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 0.00 0.00 0.00 0.63 0.00 0.00 97 T 7.75 4.89 4.29 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 1.25 0.00 0.00 98 S 8.82 4.05 0.00 3.98 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 99 A 7.93 3.97 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 0.00 100 E 8.06 3.89 0.00 2.03 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 1.90 2.44 0.00 101 I 7.50 3.37 1.46 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 -0.36 0.57 0.00 0.00 102 V 8.03 3.68 2.24 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 1.05 0.00 0.00 1.00 0.00 0.00 103 D 8.02 4.39 0.00 3.06 2.84 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 0.00 0.00 0.00 104 L 8.10 4.09 0.00 1.74 1.79 1.11 0.64 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 0.00 105 L 8.34 3.92 0.00 1.78 1.48 0.72 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.48 4.01 0.00 2.18 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 2.34 2.41 0.00 107 D 8.14 4.30 0.00 2.83 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 0.00 108 T 7.97 3.76 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 1.22 0.00 0.00 109 M 8.41 4.16 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 110 K 8.11 3.96 0.00 1.91 1.89 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.62 7.81 111 E 8.05 4.08 0.00 2.05 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 0.00 2.37 2.37 0.00 112 A 8.32 4.09 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 0.00 113 V 7.96 3.77 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 0.87 0.00 0.00 1.04 0.00 0.00 114 E 7.90 4.39 0.00 2.07 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 2.48 2.50 0.00 115 I 7.23 3.95 2.00 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 1.43 0.53 0.91 0.00 0.00 116 T 8.44 4.41 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 1.27 0.00 0.00 117 E 7.77 4.53 0.00 1.85 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 2.08 2.23 0.00 118 I 8.21 3.73 1.66 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.54 0.64 0.00 0.00 119 P 0.00 3.86 0.00 1.51 0.53 0.00 3.49 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.68 0.00 120 A 8.44 3.82 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 0.00 121 A 7.04 4.34 1.06 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 0.00 122 N 7.34 4.97 0.00 2.90 2.85 0.00 0.00 6.12 7.66 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 0.00 123 E 8.68 3.98 0.00 1.98 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 2.32 2.30 0.00 124 K 8.21 4.09 0.00 1.72 1.99 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.46 7.81 125 Q 8.07 4.54 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.36 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 126 C 7.79 4.80 0.00 3.13 3.02 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 0.00 127 G 8.75 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.60 4.60 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 129 A 8.07 4.15 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.98 4.14 0.00 1.76 1.88 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.43 7.81 131 L 7.50 4.40 0.00 1.72 1.71 0.90 0.78 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 0.00 132 H 7.57 4.85 0.00 3.08 3.04 0.00 5.76 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 0.00 133 D 8.99 4.50 0.00 2.80 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.29 3.94 0.00 1.75 1.62 0.89 0.98 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 0.00 135 E 8.29 4.06 0.00 2.16 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 2.39 2.32 0.00 136 G 8.95 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 0.00 0.00 0.00 137 A 8.02 4.01 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 0.00 138 K 8.31 3.99 0.00 1.97 1.90 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.63 7.81 139 R 8.27 3.94 0.00 1.98 2.11 0.00 3.08 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 140 L 8.11 4.29 0.00 1.87 1.80 1.04 0.90 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 0.00 141 M 8.43 4.42 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.66 0.00 142 R 8.34 4.03 0.00 2.02 2.09 0.00 3.23 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.90 0.00 143 F 8.55 4.46 0.00 3.20 3.43 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 0.00 144 W 8.63 3.69 0.00 3.38 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 0.00 145 L 8.30 4.25 0.00 1.85 1.77 1.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 146 S 7.56 4.21 0.00 4.01 4.13 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 0.00 0.00 0.00 0.00 147 Q 6.87 4.15 0.00 1.65 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 1.96 1.80 0.00 148 D 8.16 4.47 0.00 2.59 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.59 3.82 0.00 1.76 1.84 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.50 1.48 7.81 150 E 8.04 3.97 0.00 2.09 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 2.23 2.36 0.00 151 E 7.87 4.06 0.00 2.00 1.91 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 2.32 2.25 0.00 152 L 7.75 3.97 0.00 1.69 1.50 0.41 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 153 L 7.46 4.60 0.00 1.69 1.71 0.92 1.38 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 0.00 154 K 7.69 4.34 0.00 1.92 1.74 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.38 1.53 7.81 155 V 7.95 2.94 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 -0.46 0.00 0.00 0.61 0.00 0.00 156 F 7.86 4.76 0.00 3.01 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 0.00 157 G 7.83 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.