NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8344 8.3544 109.7200 44.9441 0.0000 173.9989 4 D 4.1969 8.4797 124.2311 53.0871 42.5803 175.1653 5 K 3.9006 9.5435 128.8421 59.8049 32.6744 178.5260 6 K 4.2571 8.0766 119.4573 58.3721 32.0186 179.3913 7 V 3.6591 8.2500 118.8034 66.1363 31.4322 177.9362 8 I 3.7056 7.7550 119.4289 64.6021 36.4911 178.2930 9 Q 3.9624 8.1853 118.6128 59.4345 28.4898 178.7923 10 H 4.1743 8.6048 117.4252 58.9237 28.6619 177.8942 11 L 4.0183 8.4602 121.1761 57.9390 41.4095 179.3791 12 N 4.3478 8.4930 116.5382 55.7709 38.3935 177.4650 13 K 3.9618 7.9156 121.3368 59.3512 32.2663 178.9145 14 I 3.7154 8.0651 120.4737 64.2990 36.9287 178.1232 15 L 4.0356 8.3078 121.5508 58.0397 42.0300 179.1226 16 G 3.6565 8.1756 105.7397 48.0816 0.0000 175.4038 17 N 4.3939 8.1405 118.8678 55.9607 38.3917 177.4182 18 E 3.9778 8.3584 120.2515 59.4161 29.3811 179.3868 19 L 4.0549 8.1964 119.2602 57.6352 41.5354 179.6010 20 I 3.6370 7.6172 119.1322 64.3945 37.1183 178.2250 21 A 3.2318 7.7747 121.3892 54.8758 18.0573 179.4697 22 I 3.5841 7.7913 118.4132 64.8632 37.1692 178.3985 23 N 4.3383 7.7401 116.9065 56.2771 38.3093 177.4469 24 Q 3.8303 8.2009 121.2468 59.4369 29.1105 177.7696 25 Y 4.7745 8.0124 119.5452 60.6250 37.8828 178.4729 26 F 3.9835 8.5945 121.7421 61.1270 39.4814 176.9799 27 L 4.0078 8.4342 120.4014 58.5210 41.8025 178.7109 28 H 3.8754 8.4083 116.2811 58.5926 28.5776 177.3778 29 S 4.3121 8.3813 115.3587 61.9907 62.0796 176.7910 30 R 3.8705 7.8560 120.2194 59.1613 29.7135 178.9905 31 M 3.4755 8.0239 119.0242 57.8620 31.7191 178.7753 32 W 4.5644 8.0060 119.1488 59.9532 29.2660 178.2566 33 N 4.3747 8.4038 116.4677 56.4906 37.7633 176.9112 34 D 4.3636 8.0318 118.4823 56.9423 41.3806 177.5689 35 W 4.8681 7.9167 116.7709 56.8455 29.0382 177.2249 36 G 3.9894 8.3413 108.1778 45.8058 0.0000 174.3061 37 L 4.8425 8.1455 122.3328 53.3768 40.3171 177.7366 38 K 4.0614 8.2763 120.6142 58.9766 32.4218 179.2089 39 R 3.9197 8.0758 119.5763 59.1633 29.9959 178.4283 40 L 3.8698 7.7384 118.5600 57.4311 41.5491 179.3865 41 G 3.8262 8.3211 105.5938 47.9157 0.0000 175.6057 42 A 4.0281 8.2003 123.6057 55.0208 18.4248 179.1782 43 H 3.9943 8.2697 116.8374 59.4692 29.6364 177.1607 44 E 4.0007 8.5287 121.1439 59.2274 29.4826 178.0551 45 Y 4.0677 8.2086 119.8349 61.0814 38.7713 177.9440 46 H 4.0412 8.0880 116.6133 58.5938 28.8088 177.6885 47 E 3.8060 8.0380 120.6751 59.2119 29.1471 179.1582 48 S 4.2693 8.2450 113.2342 61.6137 62.4931 176.3824 49 I 3.5855 7.5507 122.2983 64.4211 36.9097 178.0100 50 D 4.2803 8.1941 119.8785 57.5816 40.5535 178.8825 51 E 4.2515 8.0991 120.0368 59.0124 29.4380 179.1379 52 M 4.0004 8.2385 118.9516 58.5213 32.0541 178.9476 53 K 3.9644 7.9858 118.3507 59.7905 32.1047 179.1390 54 H 4.2676 8.0139 115.9867 58.6508 28.6146 177.4847 55 A 3.9921 8.2756 122.9073 55.3873 18.2275 179.1368 56 D 4.2805 8.1226 116.2486 57.5271 41.2836 178.6032 57 K 4.0007 8.1024 118.9365 59.3948 32.0092 179.3856 58 L 3.9912 8.3065 119.5552 57.8489 41.6049 179.3665 59 I 3.7142 8.2013 120.1318 64.6759 37.0907 178.3486 60 E 4.0127 8.3334 119.1569 59.3082 29.2363 179.4209 61 R 4.0047 8.0603 118.7843 59.5152 30.2182 178.5465 62 I 3.7300 7.9427 119.6367 64.5640 37.1423 178.4860 63 L 4.0574 8.1329 119.7409 57.5960 41.1757 179.2861 64 F 4.3243 8.0946 119.9919 61.2057 39.4585 176.4440 65 L 3.9135 7.8444 115.1910 54.3351 41.4536 176.7853 66 E 3.6958 7.8314 117.4690 57.2423 27.2587 174.9099 67 G 3.8156 7.8522 107.9807 44.7976 0.0000 174.1054 68 L 4.4717 8.0060 119.2317 51.9971 41.7526 175.2070 69 P 4.2934 0.0000 0.0000 62.8545 31.6923 175.9909 70 N 4.6577 9.3174 122.4524 52.5558 38.3960 174.1056 71 L 4.6100 8.2876 124.2284 54.5249 42.4547 177.4660 72 Q 4.0356 8.5465 122.0876 57.9253 29.2883 175.4940 73 D 4.5462 8.1147 117.9369 52.8593 40.9504 175.4619 74 L 4.4767 8.2757 127.2818 52.8234 43.0283 176.6950 75 G 3.7970 8.2688 116.9483 44.8236 0.0000 170.9934 76 K 4.1686 8.3742 121.2796 55.4683 32.5206 177.2440 77 L 4.1430 8.3658 126.7982 54.4980 42.2808 177.1704 78 L 4.4338 8.5519 123.9179 53.3642 40.7950 175.0442 79 I 4.2710 8.0080 123.8540 59.6249 38.1580 176.7226 80 G 4.0046 8.6964 114.9712 44.8409 0.0000 172.6954 81 E 4.7407 8.7726 115.0925 55.7334 30.3670 175.4543 82 N 4.9958 7.6825 116.9108 51.0012 41.6075 174.9605 83 T 4.4358 8.5825 116.3145 67.2405 68.5305 176.3303 84 Q 4.0247 8.2885 119.1456 59.5187 28.7084 179.3891 85 E 4.0465 8.7801 119.2127 59.5894 29.3851 179.4570 86 M 3.9651 8.3519 119.0088 58.2659 31.9912 178.7088 87 L 4.1782 8.4381 119.4005 58.0276 41.7963 179.3807 88 Q 4.0203 8.1716 119.4164 59.3581 28.9543 178.0963 89 C 4.2074 8.4861 118.0210 63.0080 28.2129 175.8219 90 D 4.6767 8.5296 120.5805 57.3784 40.4249 178.6824 91 L 3.9977 8.1778 120.8209 58.2798 42.1815 178.6945 92 N 4.3673 8.6388 116.9174 56.2644 38.3480 177.1837 93 L 4.0323 7.9722 121.7691 58.1505 42.1453 178.8983 94 E 4.0537 8.4120 118.6440 59.2727 29.5012 179.0981 95 L 3.9953 8.0926 119.1227 57.7708 41.7338 179.5456 96 K 3.9085 7.9559 118.5733 59.4649 32.1863 178.5160 97 A 4.0239 8.3121 121.3279 55.6407 18.2213 179.7632 98 T 3.8417 8.3195 114.5143 66.5825 68.3924 176.7892 99 K 3.9177 7.9830 121.2860 59.7827 32.1946 178.6270 100 D 4.4090 8.3104 119.0750 57.1681 40.6800 178.8151 101 L 3.9970 8.1133 119.6967 57.9298 41.6726 179.7398 102 R 3.9782 8.2601 118.1650 59.2795 30.0598 179.0314 103 E 4.0186 8.1080 118.4345 59.0768 29.3719 179.0960 104 A 3.6562 8.1938 121.0741 55.0541 18.3942 179.8276 105 I 3.6104 7.8338 118.2535 64.3968 37.1761 178.4705 106 V 3.5677 7.7138 119.1915 66.6786 31.3682 177.6476 107 H 4.1322 8.0189 117.0600 59.2527 29.5659 176.9524 108 C 3.9839 8.2696 118.9213 62.5727 27.9625 175.5829 109 E 3.8760 8.2424 120.8122 59.5879 29.0654 178.6437 110 Q 3.9808 7.7968 116.5123 58.5826 28.7828 178.9134 111 V 4.0095 6.9575 109.6901 60.6815 32.0267 175.6907 112 H 2.9482 7.2289 113.6966 56.9785 26.8473 176.4397 113 D 4.5160 7.5103 121.1086 53.4571 37.9105 176.0420 114 Y 4.3734 7.4029 120.8433 60.2957 38.4746 177.7936 115 V 3.7077 7.8159 119.3078 66.0013 31.7597 178.0770 116 S 4.1855 8.5306 114.9910 61.3142 62.5136 176.6166 117 R 3.8649 8.0049 121.5446 59.5197 29.8933 177.9348 118 D 4.3310 8.2397 117.7972 57.2986 41.1805 177.9122 119 L 3.9441 8.0398 120.6555 58.4072 42.0836 179.1161 120 L 4.0459 8.1573 118.8444 57.4944 41.5028 179.4371 121 K 3.9870 8.4387 120.1958 59.4482 32.2412 178.6529 122 D 4.3954 8.1810 119.3460 57.4187 40.6518 178.8556 123 I 3.5583 7.7337 120.3585 64.0538 36.9612 178.2364 124 L 3.9311 8.0174 121.3590 58.0968 41.9418 178.5361 125 E 3.9174 8.2878 119.2998 59.4870 29.5734 178.8342 126 S 4.7398 7.9235 113.9792 60.9465 62.3598 175.9973 127 E 4.1374 8.4455 121.5890 59.2482 29.1583 179.0513 128 E 4.0127 8.5725 119.1244 59.5125 29.6425 179.2103 129 E 4.0378 8.3152 118.6520 59.6724 29.4523 178.9503 130 H 4.3963 8.2671 118.3065 59.2903 29.9204 177.3254 131 I 3.7090 8.2218 122.1135 64.3695 36.8889 177.9005 132 D 4.3092 8.2725 118.8626 57.3953 41.0233 177.4342 133 Y 4.0932 8.1649 120.0089 60.8436 38.7849 178.2595 134 L 3.7918 8.2304 119.6483 57.8089 41.6878 179.2469 135 E 3.9089 8.5078 118.8411 59.8280 29.3984 179.6255 136 T 3.7805 7.9191 115.5214 66.6785 68.5201 176.6932 137 Q 3.7864 7.9307 120.1188 58.9435 28.8687 178.8944 138 L 3.8996 7.8789 120.0659 57.6098 41.5961 179.8489 139 G 3.6418 8.2194 105.9126 47.7689 0.0000 175.7947 140 L 4.0095 7.8605 121.4433 57.5483 41.7091 179.4890 141 I 3.6109 7.4066 119.7326 64.5337 36.7076 178.4738 142 Q 4.0076 7.2939 116.8543 58.6466 28.6500 178.2754 143 K 4.1774 7.8158 118.6416 58.2787 32.3819 178.7423 144 V 4.2346 8.4168 110.2847 59.7518 33.1591 176.9138 145 G 4.1091 7.5537 104.7777 45.7894 0.0000 174.3791 146 L 3.9547 8.5149 122.2622 58.0715 42.1083 179.3865 147 E 3.9606 8.1347 117.8499 59.6535 29.5113 178.9467 148 N 4.3446 8.1531 115.9419 56.4097 38.3904 176.7634 149 Y 3.9653 7.8594 120.0764 60.5864 39.1634 177.5684 150 L 4.0349 8.3430 120.2755 57.8058 41.7872 178.9531 151 Q 3.8843 8.1016 119.4771 59.6155 28.7079 178.7109 152 S 4.2916 7.8281 113.2885 60.1376 63.1094 174.4745 153 H 4.6169 7.7617 118.5606 55.6000 29.5419 175.9712 154 M 4.1917 7.9553 121.0543 57.7167 31.9089 176.0586 155 H 5.1258 7.5673 113.9175 53.6571 30.8451 174.6732 156 E 4.1355 8.7419 121.6798 56.8127 29.2478 176.8686 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 G 8.35 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 0.00 0.00 0.00 4 D 8.48 4.20 0.00 2.86 2.55 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 0.00 0.00 0.00 0.00 5 K 9.54 3.90 0.00 1.94 1.79 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.51 1.11 7.81 6 K 8.08 4.26 0.00 1.97 1.61 0.00 1.97 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.59 1.31 7.81 7 V 8.25 3.66 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 1.11 0.00 0.00 1.00 0.00 0.00 8 I 7.75 3.71 2.00 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 1.52 0.44 0.91 0.00 0.00 9 Q 8.19 3.96 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 10 H 8.60 4.17 0.00 3.31 3.35 0.00 5.62 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 11 L 8.46 4.02 0.00 1.80 1.74 0.96 0.66 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 12 N 8.49 4.35 0.00 2.94 2.86 0.00 0.00 6.64 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 13 K 7.92 3.96 0.00 1.83 1.97 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.07 3.72 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.74 0.92 0.00 0.00 15 L 8.31 4.04 0.00 1.80 1.90 0.92 1.41 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 16 G 8.18 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.14 4.39 0.00 2.91 2.88 0.00 0.00 7.05 7.71 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 18 E 8.36 3.98 0.00 2.13 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 2.57 2.53 0.00 19 L 8.20 4.05 0.00 1.77 1.68 0.90 1.08 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 20 I 7.62 3.64 1.95 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 1.41 0.89 0.87 0.00 0.00 21 A 7.77 3.23 1.10 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 0.00 0.00 0.00 0.00 0.00 22 I 7.79 3.58 1.96 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 1.55 0.69 0.86 0.00 0.00 23 N 7.74 4.34 0.00 2.72 2.83 0.00 0.00 6.77 7.60 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 24 Q 8.20 3.83 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.28 0.00 25 Y 8.01 4.77 0.00 3.05 3.15 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 26 F 8.59 3.98 0.00 3.33 3.10 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 0.00 0.00 0.00 27 L 8.43 4.01 0.00 1.81 1.70 0.88 1.12 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 28 H 8.41 3.88 0.00 3.32 2.79 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.38 4.31 0.00 3.90 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 30 R 7.86 3.87 0.00 1.86 1.87 0.00 2.95 0.00 0.00 2.56 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 31 M 8.02 3.48 0.00 0.88 1.67 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 2.43 2.12 0.00 32 W 8.01 4.56 0.00 3.70 3.32 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 33 N 8.40 4.37 0.00 2.90 2.86 0.00 0.00 6.69 7.70 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 34 D 8.03 4.36 0.00 2.55 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 35 W 7.92 4.87 0.00 3.77 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 36 G 8.34 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 0.00 0.00 0.00 37 L 8.15 4.84 0.00 2.10 1.60 1.26 1.14 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 38 K 8.28 4.06 0.00 1.97 1.87 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.48 7.81 39 R 8.08 3.92 0.00 1.96 1.89 0.00 3.14 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 40 L 7.74 3.87 0.00 1.28 0.18 0.21 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.32 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 0.00 0.00 0.00 42 A 8.20 4.03 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 43 H 8.27 3.99 0.00 3.27 3.27 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.53 4.00 0.00 2.55 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 0.00 2.75 2.67 0.00 45 Y 8.21 4.07 0.00 3.04 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 46 H 8.09 4.04 0.00 3.33 3.23 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.04 3.81 0.00 1.92 1.65 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 2.22 2.07 0.00 48 S 8.25 4.27 0.00 4.10 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 49 I 7.55 3.59 1.79 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.17 0.83 0.00 0.00 50 D 8.19 4.28 0.00 2.63 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 4.25 0.00 2.20 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 2.73 2.55 0.00 52 M 8.24 4.00 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.55 0.00 53 K 7.99 3.96 0.00 1.87 1.80 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.56 7.81 54 H 8.01 4.27 0.00 3.39 3.35 0.00 5.65 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 55 A 8.28 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 56 D 8.12 4.28 0.00 2.81 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 57 K 8.10 4.00 0.00 1.96 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.82 1.67 7.81 58 L 8.31 3.99 0.00 1.84 1.73 0.94 0.90 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 59 I 8.20 3.71 2.02 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 1.53 0.98 0.92 0.00 0.00 60 E 8.33 4.01 0.00 2.03 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 2.34 2.51 0.00 61 R 8.06 4.00 0.00 2.10 2.14 0.00 3.30 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 62 I 7.94 3.73 2.03 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 1.54 0.86 0.93 0.00 0.00 63 L 8.13 4.06 0.00 2.00 1.77 0.97 0.82 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 64 F 8.09 4.32 0.00 2.97 3.31 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 65 L 7.84 3.91 0.00 1.77 1.62 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.83 3.70 0.00 2.05 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 2.16 2.27 0.00 67 G 7.85 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 68 L 8.01 4.47 0.00 1.62 1.63 0.91 1.00 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 69 P 0.00 4.29 0.00 2.04 2.01 0.00 3.66 0.00 0.00 3.76 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 70 N 9.32 4.66 0.00 2.62 2.74 0.00 0.00 7.09 7.52 0.00 0.00 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 L 8.29 4.61 0.00 1.61 1.62 0.91 0.95 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 72 Q 8.55 4.04 0.00 1.97 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.11 4.55 0.00 2.69 2.60 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 74 L 8.28 4.48 0.00 1.53 1.54 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.27 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 76 K 8.37 4.17 0.00 1.70 1.73 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.51 7.81 77 L 8.37 4.14 0.00 1.63 1.54 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.55 4.43 0.00 1.78 1.68 1.00 0.73 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 79 I 8.01 4.27 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.77 0.91 0.00 0.00 80 G 8.70 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 81 E 8.77 4.74 0.00 2.17 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 2.53 2.24 0.00 82 N 7.68 5.00 0.00 2.88 2.86 0.00 0.00 6.21 7.22 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 83 T 8.58 4.44 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 1.51 0.00 0.00 84 Q 8.29 4.02 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 85 E 8.78 4.05 0.00 2.30 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 2.35 2.46 0.00 86 M 8.35 3.97 0.00 1.22 1.88 0.00 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.10 0.00 87 L 8.44 4.18 0.00 1.92 1.77 0.90 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.17 4.02 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 89 C 8.49 4.21 0.00 3.38 3.21 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 90 D 8.53 4.68 0.00 2.99 2.83 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 91 L 8.18 4.00 0.00 1.87 1.93 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.64 4.37 0.00 2.92 2.89 0.00 0.00 6.69 6.28 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 93 L 7.97 4.03 0.00 1.94 1.95 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.41 4.05 0.00 2.21 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 2.67 2.49 0.00 95 L 8.09 4.00 0.00 1.87 1.75 0.94 0.46 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 96 K 7.96 3.91 0.00 1.89 2.00 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.25 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.31 4.02 1.42 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 98 T 8.32 3.84 4.61 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 1.23 0.00 0.00 99 K 7.98 3.92 0.00 1.87 1.99 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 100 D 8.31 4.41 0.00 2.89 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 0.00 101 L 8.11 4.00 0.00 1.97 1.72 0.93 0.81 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 0.00 102 R 8.26 3.98 0.00 2.01 1.99 0.00 3.13 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 103 E 8.11 4.02 0.00 2.12 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 2.35 2.34 0.00 104 A 8.19 3.66 1.37 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 0.00 0.00 105 I 7.83 3.61 2.07 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 0.67 0.93 0.00 0.00 106 V 7.71 3.57 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 1.00 0.00 0.00 1.00 0.00 0.00 107 H 8.02 4.13 0.00 3.27 3.26 0.00 5.84 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 0.00 108 C 8.27 3.98 0.00 3.10 3.11 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 0.00 109 E 8.24 3.88 0.00 2.22 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 0.00 2.36 2.47 0.00 110 Q 7.80 3.98 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 111 V 6.96 4.01 1.95 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 0.60 0.00 0.00 0.77 0.00 0.00 112 H 7.23 2.95 0.00 3.17 3.21 0.00 5.66 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.51 4.52 0.00 2.59 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 0.00 114 Y 7.40 4.37 0.00 3.07 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 0.00 115 V 7.82 3.71 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 1.08 0.00 0.00 0.99 0.00 0.00 116 S 8.53 4.19 0.00 3.97 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 0.00 117 R 8.00 3.86 0.00 1.93 2.16 0.00 3.24 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 1.69 1.68 0.00 118 D 8.24 4.33 0.00 3.03 2.79 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 0.00 119 L 8.04 3.94 0.00 1.78 1.88 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.16 4.05 0.00 1.86 1.70 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.44 3.99 0.00 1.90 1.95 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 122 D 8.18 4.40 0.00 2.90 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 0.00 123 I 7.73 3.56 1.97 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 1.11 0.64 0.84 0.00 0.00 124 L 8.02 3.93 0.00 1.87 1.85 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.29 3.92 0.00 2.10 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 2.52 2.34 0.00 126 S 7.92 4.74 0.00 4.02 4.08 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 0.00 127 E 8.45 4.14 0.00 2.06 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 2.61 2.53 0.00 128 E 8.57 4.01 0.00 2.16 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 2.36 2.54 0.00 129 E 8.32 4.04 0.00 2.24 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 2.37 2.36 0.00 130 H 8.27 4.40 0.00 3.26 3.53 0.00 5.61 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 0.00 131 I 8.22 3.71 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 1.44 0.60 0.93 0.00 0.00 132 D 8.27 4.31 0.00 2.92 2.93 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 0.00 133 Y 8.16 4.09 0.00 3.19 3.24 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 0.00 134 L 8.23 3.79 0.00 2.11 1.69 1.11 0.68 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 0.00 135 E 8.51 3.91 0.00 1.95 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 2.31 2.48 0.00 136 T 7.92 3.78 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 1.17 0.00 0.00 137 Q 7.93 3.79 0.00 1.82 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 1.28 1.90 0.00 138 L 7.88 3.90 0.00 1.81 1.62 0.84 0.96 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 0.00 139 G 8.22 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.86 4.01 0.00 1.81 1.87 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.41 3.61 1.77 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.12 0.79 0.00 0.00 142 Q 7.29 4.01 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 143 K 7.82 4.18 0.00 1.75 1.85 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.78 7.81 144 V 8.42 4.23 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 0.78 0.00 0.00 1.17 0.00 0.00 145 G 7.55 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 0.00 146 L 8.51 3.95 0.00 1.76 1.68 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.13 3.96 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 2.39 2.40 0.00 148 N 8.15 4.34 0.00 2.95 2.89 0.00 0.00 6.71 7.48 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 0.00 149 Y 7.86 3.97 0.00 3.03 3.15 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 0.00 150 L 8.34 4.03 0.00 1.72 1.71 0.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.10 3.88 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 152 S 7.83 4.29 0.00 3.81 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 7.76 4.62 0.00 3.01 3.05 0.00 5.81 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 0.00 154 M 7.96 4.19 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.43 0.00 155 H 7.57 5.13 0.00 3.09 3.16 0.00 5.72 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 0.00 156 E 8.74 4.14 0.00 1.96 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 2.43 2.31 0.00