NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1881 8.1627 120.2819 54.5839 32.7909 174.1738 2 K 3.5787 8.5899 128.3953 56.7685 32.5740 174.4779 3 G 4.1598 8.7366 115.5379 44.0163 0.0000 171.8654 4 D 4.5463 8.4221 119.3945 54.0312 41.4710 177.8631 5 K 3.8084 9.0454 124.3084 59.9951 32.2049 179.0531 6 I 3.8180 7.6080 120.6797 63.5773 36.9290 178.4796 7 V 3.5851 7.6951 118.7512 66.1431 31.4345 178.0869 8 I 3.7122 7.9023 119.4492 64.2554 36.7212 178.5103 9 Q 3.9251 7.8970 119.2593 59.0322 28.4070 178.3731 10 H 4.1445 8.0665 117.1512 58.8235 28.7779 177.4461 11 L 3.9880 8.0208 120.9106 58.2827 41.3216 179.4272 12 N 4.2935 8.1673 114.7693 56.1938 38.6855 177.0938 13 K 4.0456 8.0410 120.7433 59.6493 32.2548 178.7116 14 I 3.6774 8.4043 120.5399 64.4896 37.1738 177.9665 15 L 4.0436 8.4184 121.5237 58.2037 41.7351 179.3336 16 G 3.5999 7.9232 105.2627 47.8088 0.0000 175.3187 17 N 4.3231 8.1259 118.4852 56.0760 38.6128 177.1225 18 E 3.8662 7.9282 119.5445 59.5619 29.4807 179.2911 19 L 4.0730 7.7123 118.4420 57.9102 41.4949 179.9737 20 I 3.6792 7.4772 119.0715 64.1278 37.1318 177.9290 21 A 3.4308 7.7954 121.6623 55.1795 18.1037 179.3138 22 I 3.4653 7.8617 118.3165 65.0309 37.2442 178.3531 23 N 4.3993 7.7831 116.8008 56.2172 38.3591 177.4730 24 Q 3.9330 8.3034 121.2967 59.4718 29.1254 177.8556 25 Y 4.2929 8.6138 118.2848 60.9778 37.9774 178.1410 26 F 3.8088 8.4418 121.8786 60.9231 39.5093 177.0705 27 L 3.9765 8.1282 120.1047 58.4489 41.9648 178.5889 28 H 3.8726 8.2320 115.9263 58.6959 28.6415 177.4080 29 A 4.1295 8.1491 122.7141 55.6095 18.1304 180.0263 30 R 3.8150 7.6938 115.9068 59.2599 30.0627 179.3071 31 M 3.4285 7.6118 118.6109 58.2140 31.7613 178.1288 32 Y 4.5169 7.7399 117.0891 61.5683 37.8755 178.9290 33 E 3.9875 8.2903 119.0876 59.3610 29.2536 178.9703 34 D 4.2972 7.8757 117.5920 56.5188 41.3236 177.5345 35 W 4.8885 7.8782 117.8835 57.0165 29.2810 177.1822 36 G 4.1411 7.9312 107.8267 45.5091 0.0000 174.2766 37 L 4.7980 8.2969 122.0112 52.7184 40.4845 176.6368 38 E 3.9096 8.2865 124.0546 59.6822 29.9849 179.2658 39 K 3.8211 7.9894 117.8370 59.7597 32.1976 179.2024 40 L 4.0319 7.8627 118.3419 57.6984 41.4259 179.5706 41 G 3.7927 8.3729 105.8799 47.9394 0.0000 175.3682 42 K 3.8935 8.5062 123.0913 59.4446 32.0719 178.2906 43 H 3.9749 8.2494 118.3682 59.2126 29.7069 177.1411 44 E 3.8930 8.4237 120.5630 59.3730 29.2447 178.6924 45 Y 3.8534 8.3335 120.0476 60.8202 38.8221 177.6968 46 H 4.0535 8.1710 119.1141 59.3850 30.1432 177.1422 47 E 3.8591 8.2859 120.6733 59.1273 29.0648 179.4630 48 S 4.1344 8.0992 113.5689 61.3731 62.5246 176.2200 49 I 3.5520 7.3440 122.4605 64.3788 36.8496 177.8347 50 D 4.2897 8.1653 120.1321 57.7918 40.7285 179.1692 51 E 3.8782 7.9489 118.2489 59.5113 29.3466 179.4105 52 M 4.0477 7.6748 118.6196 58.2643 31.9953 178.9371 53 K 4.0386 8.0757 118.7058 59.4410 32.1831 179.1293 54 H 4.1846 8.1907 116.4004 58.9891 28.6431 177.5479 55 A 3.9961 8.0512 122.3956 55.2877 18.1718 179.1546 56 D 4.2376 8.1755 116.4362 57.3299 41.3101 178.5872 57 K 3.9348 8.0941 118.9778 59.4103 32.0460 179.2043 58 L 3.9650 7.8315 118.9456 57.9398 41.5450 179.3002 59 I 3.6847 7.8558 119.7997 64.6716 37.0711 178.5107 60 K 3.9875 7.9958 118.7481 59.3843 31.8669 179.3323 61 R 4.0039 8.0512 118.8814 59.5742 29.9725 178.4658 62 I 3.7051 8.4041 119.7889 64.4903 37.0610 178.4146 63 L 3.9932 8.3003 120.0356 57.8508 41.2559 179.3773 64 F 4.3046 8.4805 119.7845 61.1598 39.1470 176.3047 65 L 4.2397 8.1664 118.0260 53.3691 41.0549 176.9105 66 E 3.5316 8.0061 117.3586 57.4192 27.4610 174.5928 67 G 3.9970 8.1222 108.6455 43.9071 0.0000 173.3749 68 L 4.5853 8.0137 118.9709 51.9341 42.8305 175.1214 69 P 4.2271 0.0000 0.0000 62.6492 31.7460 176.2576 70 N 4.7417 8.4621 120.9990 52.0837 38.5710 173.9194 71 L 4.2738 8.1170 124.0306 55.0762 41.9310 177.6691 72 Q 3.8580 7.3892 119.5153 58.8297 29.4467 175.8108 73 E 4.0252 8.6493 119.7938 56.4277 30.5064 176.6997 74 L 4.5611 8.2331 123.8891 52.8552 44.4351 176.3949 75 G 3.7748 8.5440 115.0351 44.5243 0.0000 171.8846 76 K 3.9089 8.3419 120.8687 56.3904 32.3803 175.3187 77 L 4.5860 8.0105 121.4344 53.0878 43.8627 176.4519 78 L 4.3291 8.4688 127.0998 54.3034 40.1083 175.6572 79 I 4.2711 8.0001 123.4384 60.0677 38.4101 176.0343 80 G 4.1799 8.5905 112.9169 44.2026 0.0000 172.9080 81 E 4.6556 8.8536 118.4711 57.0198 31.0894 176.8901 82 H 5.0190 7.5556 113.1154 53.3166 33.0151 173.6574 83 T 4.2662 8.6300 117.6431 67.1876 68.2977 176.0599 84 K 3.8541 8.2467 119.4112 60.0262 32.2786 178.7619 85 E 4.1136 8.0102 118.5295 59.4490 29.7677 178.4105 86 M 4.0558 8.6895 119.2144 58.3680 32.0974 178.7629 87 L 4.1586 8.7544 119.5332 57.7559 41.6900 179.4632 88 E 4.0072 7.9945 118.3493 59.6515 29.4719 179.1124 89 C 4.2174 8.7104 117.1003 62.9974 28.1493 175.9824 90 D 4.5832 8.2038 120.2207 57.1025 40.3645 178.5489 91 L 4.0785 7.8948 120.7556 57.7160 42.1008 178.8433 92 K 3.9286 8.4824 120.1262 59.3639 32.3373 178.3542 93 L 3.9686 7.9251 120.4633 58.5225 41.8696 178.8858 94 E 4.2247 8.2156 116.5938 59.0806 29.7065 178.6043 95 Q 4.3855 7.9331 116.8409 57.2989 29.2622 176.9156 96 A 4.5483 8.4274 119.7841 52.8399 18.8967 178.2776 97 G 4.0409 7.7020 102.3660 44.1919 0.0000 175.2638 98 L 3.9766 7.4090 121.6139 57.8746 41.9648 177.0041 99 P 4.2522 0.0000 0.0000 65.7292 31.2934 177.9654 100 D 4.6304 8.1798 117.0038 57.6903 40.7332 178.8528 101 L 4.0401 7.7366 118.6001 57.8473 41.5778 179.9331 102 K 3.9728 8.0894 118.1457 59.4368 32.0225 179.3872 103 A 4.0491 8.9779 122.0417 54.8551 18.1427 179.6286 104 A 3.7096 8.4912 119.8596 55.2777 18.5507 179.9179 105 I 3.6637 8.0234 118.2777 64.4104 37.1118 178.5713 106 A 4.0065 8.0801 121.8025 55.0992 18.2491 179.1309 107 Y 3.6731 7.6651 118.9577 60.5166 38.8674 177.7525 108 C 4.0972 8.4688 118.0537 62.9421 28.0881 175.9073 109 E 3.8690 8.1519 120.9738 59.2672 29.3951 179.0665 110 S 4.1388 8.0399 114.0662 60.3522 62.7494 175.7750 111 V 4.2133 6.9983 113.6620 60.3301 31.7819 176.3813 112 G 3.0620 7.1509 105.9990 46.2830 0.0000 175.5740 113 D 4.5002 7.6765 121.4080 52.8083 37.7955 176.1564 114 Y 4.2834 7.2473 121.2837 60.8116 38.4573 178.1048 115 A 4.0411 8.0781 121.1379 55.5181 18.5839 179.6530 116 S 4.1411 8.6978 113.8559 61.6067 62.7459 176.8442 117 R 3.8978 7.9698 121.3883 59.7891 29.7800 178.5206 118 E 3.6603 8.3283 117.9687 59.0021 29.2230 179.3653 119 L 3.9751 7.6954 120.3469 58.1128 42.1954 178.9106 120 L 3.9688 8.1883 119.2148 57.5205 41.5409 178.7287 121 E 3.9167 8.9627 120.2081 59.6408 29.4101 178.8884 122 D 4.3159 7.8337 118.4316 57.6070 40.8887 178.6559 123 I 3.4922 7.3881 120.3774 64.2380 37.0120 178.1649 124 L 3.9224 8.2914 121.3592 58.2884 41.6665 178.8474 125 E 3.9507 8.2021 118.3973 59.5120 29.3967 179.2960 126 S 4.0876 8.2289 113.1075 61.5962 62.3892 176.1686 127 E 4.0123 8.5058 121.3728 59.3596 29.1683 179.1421 128 E 4.0492 8.2894 118.5234 59.0356 29.3424 178.8956 129 D 4.5182 7.7684 119.0621 57.3309 41.1105 178.4142 130 H 4.4564 8.3439 116.9448 58.9925 28.6203 177.9517 131 I 3.9002 8.2384 121.9471 64.2331 36.8993 177.9104 132 D 4.3577 8.3066 119.0707 57.1528 41.0725 178.1862 133 W 4.0624 8.2107 128.6071 60.3166 30.7126 177.9984 134 L 3.8006 8.1476 118.4766 57.9087 41.1607 179.2278 135 E 3.9112 8.4726 118.8244 59.7131 29.2786 179.6404 136 T 3.7314 7.8755 115.5943 66.6627 68.5203 176.5574 137 Q 3.5594 7.4446 119.7703 58.8244 28.1084 179.0688 138 L 3.7378 7.5175 119.7321 57.9235 41.6519 179.4228 139 D 4.4715 8.0386 118.7247 57.2514 40.6881 178.8302 140 L 3.9495 8.0120 119.9128 57.7330 41.5344 179.4816 141 I 3.5268 7.3570 119.7734 64.2885 36.6966 178.2139 142 D 4.2583 7.2853 117.6753 57.4846 40.8665 178.8499 143 K 4.1241 7.9115 117.6188 58.3989 32.0944 177.7458 144 I 4.3697 7.8074 109.4769 59.3957 39.2267 175.8068 145 G 3.9794 8.4280 110.5036 46.0483 0.0000 173.7220 146 L 3.9415 8.7334 124.7501 58.5178 41.9621 179.2100 147 E 3.9672 8.2676 117.5005 59.7650 29.3788 179.2051 148 N 4.3615 8.0951 115.7735 56.3330 38.5114 176.6455 149 Y 4.0342 8.0442 120.1179 60.7143 39.1476 177.9719 150 L 3.9761 8.3713 120.2505 57.8348 41.9231 179.2070 151 Q 3.9432 8.1817 119.6915 58.9818 28.6971 178.1069 152 S 4.3642 7.6940 113.4989 59.8208 63.7391 175.2556 153 Q 4.2500 7.6198 120.9404 56.9529 28.6825 176.8991 154 M 4.3705 7.6199 121.6068 56.1040 31.6854 176.0507 155 D 4.5195 7.7301 124.3715 54.5687 41.3495 176.6498 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 4.19 0.00 1.42 1.85 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 2 K 8.59 3.58 0.00 1.82 1.67 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.46 7.81 3 G 8.74 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 4 D 8.42 4.55 0.00 2.76 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 5 K 9.05 3.81 0.00 1.79 1.80 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.51 7.81 6 I 7.61 3.82 1.71 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.86 -0.06 0.00 0.00 7 V 7.70 3.59 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 1.23 0.00 0.00 1.17 0.00 0.00 8 I 7.90 3.71 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.67 0.89 0.00 0.00 9 Q 7.90 3.93 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.59 0.00 10 H 8.07 4.14 0.00 3.30 3.29 0.00 5.65 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 8.02 3.99 0.00 1.97 1.75 1.00 0.84 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 12 N 8.17 4.29 0.00 2.92 2.86 0.00 0.00 7.07 7.50 0.00 0.00 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 8.04 4.05 0.00 1.79 2.00 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.22 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.40 3.68 2.01 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 1.61 1.53 0.90 0.00 0.00 15 L 8.42 4.04 0.00 1.78 1.94 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.92 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 17 N 8.13 4.32 0.00 2.98 2.88 0.00 0.00 7.12 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 18 E 7.93 3.87 0.00 2.05 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 2.50 2.51 0.00 19 L 7.71 4.07 0.00 1.84 1.68 0.89 0.57 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 20 I 7.48 3.68 2.01 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 1.42 0.87 0.92 0.00 0.00 21 A 7.80 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.86 3.47 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.77 0.82 0.00 0.00 23 N 7.78 4.40 0.00 2.74 2.84 0.00 0.00 6.76 7.40 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 24 Q 8.30 3.93 0.00 2.12 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.29 0.00 25 Y 8.61 4.29 0.00 2.97 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 26 F 8.44 3.81 0.00 3.44 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 8.13 3.98 0.00 1.91 1.75 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.23 3.87 0.00 3.39 2.99 0.00 5.71 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 29 A 8.15 4.13 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 30 R 7.69 3.81 0.00 1.89 1.89 0.00 3.25 0.00 0.00 3.02 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 31 M 7.61 3.43 0.00 0.83 1.56 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.19 0.00 32 Y 7.74 4.52 0.00 3.16 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.29 3.99 0.00 1.97 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 2.33 2.51 0.00 34 D 7.88 4.30 0.00 2.57 2.41 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 0.00 0.00 0.00 0.00 35 W 7.88 4.89 0.00 3.74 3.06 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 36 G 7.93 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 37 L 8.30 4.80 0.00 1.85 1.61 1.20 1.23 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 38 E 8.29 3.91 0.00 2.28 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 2.33 2.40 0.00 39 K 7.99 3.82 0.00 1.85 1.94 0.00 1.64 0.00 0.00 1.89 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.59 7.81 40 L 7.86 4.03 0.00 1.48 0.62 0.61 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.37 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 42 K 8.51 3.89 0.00 1.84 1.99 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 43 H 8.25 3.97 0.00 3.18 3.01 0.00 5.84 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 44 E 8.42 3.89 0.00 2.32 2.23 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 2.68 3.04 0.00 45 Y 8.33 3.85 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 46 H 8.17 4.05 0.00 3.24 3.26 0.00 5.84 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 47 E 8.29 3.86 0.00 2.04 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 1.97 1.86 0.00 48 S 8.10 4.13 0.00 4.04 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 49 I 7.34 3.55 1.84 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.65 0.84 0.00 0.00 50 D 8.17 4.29 0.00 2.77 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.95 3.88 0.00 2.02 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.01 0.00 52 M 7.67 4.05 0.00 1.98 2.23 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.49 0.00 53 K 8.08 4.04 0.00 1.94 1.85 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.60 7.81 54 H 8.19 4.18 0.00 3.39 3.30 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 8.05 4.00 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.18 4.24 0.00 2.93 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 57 K 8.09 3.93 0.00 2.02 1.85 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.81 7.81 58 L 7.83 3.96 0.00 1.88 1.72 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.86 3.68 2.02 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 1.51 1.01 0.91 0.00 0.00 60 K 8.00 3.99 0.00 1.98 1.87 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.60 7.81 61 R 8.05 4.00 0.00 2.07 2.13 0.00 3.32 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 62 I 8.40 3.71 2.03 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 0.77 0.91 0.00 0.00 63 L 8.30 3.99 0.00 1.85 1.76 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.48 4.30 0.00 2.93 3.37 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 65 L 8.17 4.24 0.00 1.98 1.60 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.01 3.53 0.00 2.00 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 0.00 2.17 2.24 0.00 67 G 8.12 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 68 L 8.01 4.59 0.00 1.59 1.59 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.23 0.00 2.03 1.98 0.00 3.62 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 2.03 2.08 0.00 70 N 8.46 4.74 0.00 2.63 2.70 0.00 0.00 7.05 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 71 L 8.12 4.27 0.00 1.65 1.67 0.89 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 7.39 3.86 0.00 1.97 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 73 E 8.65 4.03 0.00 1.97 1.86 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 2.33 2.24 0.00 74 L 8.23 4.56 0.00 1.51 1.48 0.90 1.06 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 75 G 8.54 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.34 3.91 0.00 1.73 1.78 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.46 7.81 77 L 8.01 4.59 0.00 1.56 1.50 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.47 4.33 0.00 1.93 1.69 0.97 0.94 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 79 I 8.00 4.27 1.91 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 1.56 0.79 0.95 0.00 0.00 80 G 8.59 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.85 4.66 0.00 2.24 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 2.35 2.29 0.00 82 H 7.56 5.02 0.00 3.23 3.24 0.00 5.50 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 83 T 8.63 4.27 4.39 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 1.45 0.00 0.00 84 K 8.25 3.85 0.00 1.93 1.91 0.00 1.66 0.00 0.00 2.04 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.63 7.81 85 E 8.01 4.11 0.00 1.82 1.68 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 2.33 2.37 0.00 86 M 8.69 4.06 0.00 1.73 2.34 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.42 0.00 87 L 8.75 4.16 0.00 2.02 1.70 1.14 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.99 4.01 0.00 2.14 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 2.32 2.33 0.00 89 C 8.71 4.22 0.00 3.02 3.30 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 90 D 8.20 4.58 0.00 2.91 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 91 L 7.89 4.08 0.00 1.92 1.86 0.97 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.48 3.93 0.00 1.96 2.00 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.48 7.81 93 L 7.93 3.97 0.00 2.08 1.98 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.22 4.22 0.00 2.26 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 2.75 2.69 0.00 95 Q 7.93 4.39 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 96 A 8.43 4.55 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 97 G 7.70 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 98 L 7.41 3.98 0.00 2.04 1.71 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.25 0.00 2.21 2.11 0.00 3.65 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 100 D 8.18 4.63 0.00 2.93 2.75 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 0.00 101 L 7.74 4.04 0.00 1.90 1.73 0.92 1.25 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 0.00 102 K 8.09 3.97 0.00 2.04 1.87 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.56 7.81 103 A 8.98 4.05 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 0.00 104 A 8.49 3.71 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.02 3.66 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 1.47 0.84 0.94 0.00 0.00 106 A 8.08 4.01 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.67 3.67 0.00 3.20 3.06 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 0.00 108 C 8.47 4.10 0.00 3.13 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 3.87 0.00 2.21 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 0.00 2.34 2.40 0.00 110 S 8.04 4.14 0.00 3.91 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.00 4.21 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 0.32 0.00 0.00 0.95 0.00 0.00 112 G 7.15 3.06 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 0.00 113 D 7.68 4.50 0.00 2.67 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 0.00 114 Y 7.25 4.28 0.00 3.09 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.08 4.04 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 0.00 116 S 8.70 4.14 0.00 4.10 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 0.00 117 R 7.97 3.90 0.00 1.95 2.25 0.00 3.34 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 118 E 8.33 3.66 0.00 2.07 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 2.38 2.49 0.00 119 L 7.70 3.98 0.00 1.73 1.91 0.94 0.89 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 0.00 120 L 8.19 3.97 0.00 1.87 1.70 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.96 3.92 0.00 2.22 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 2.33 2.44 0.00 122 D 7.83 4.32 0.00 2.82 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.39 3.49 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.74 0.71 0.00 0.00 124 L 8.29 3.92 0.00 1.78 1.89 0.94 0.88 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 0.00 125 E 8.20 3.95 0.00 2.18 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 2.34 2.59 0.00 126 S 8.23 4.09 0.00 3.91 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 8.51 4.01 0.00 2.15 2.16 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 2.67 2.53 0.00 128 E 8.29 4.05 0.00 2.22 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 2.37 0.00 129 D 7.77 4.52 0.00 2.97 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 0.00 130 H 8.34 4.46 0.00 3.62 3.56 0.00 5.64 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 8.24 3.90 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.99 0.97 0.00 0.00 132 D 8.31 4.36 0.00 3.04 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 0.00 133 W 8.21 4.06 0.00 3.50 3.45 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 0.00 134 L 8.15 3.80 0.00 2.02 1.74 1.04 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.47 3.91 0.00 1.96 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 0.00 2.33 2.71 0.00 136 T 7.88 3.73 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 1.08 0.00 0.00 137 Q 7.44 3.56 0.00 1.62 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 138 L 7.52 3.74 0.00 1.73 1.59 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.04 4.47 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.01 3.95 0.00 1.82 1.58 0.87 0.99 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 0.00 141 I 7.36 3.53 1.81 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.20 0.80 0.00 0.00 142 D 7.29 4.26 0.00 2.83 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 0.00 143 K 7.91 4.12 0.00 1.71 1.86 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.57 7.81 144 I 7.81 4.37 1.89 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.72 0.92 0.00 0.00 145 G 8.43 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.73 3.94 0.00 1.75 1.70 0.97 0.96 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 0.00 147 E 8.27 3.97 0.00 2.05 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 2.41 0.00 148 N 8.10 4.36 0.00 3.07 2.88 0.00 0.00 6.75 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 8.04 4.03 0.00 2.89 3.16 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 0.00 150 L 8.37 3.98 0.00 1.84 1.68 0.90 0.81 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 0.00 151 Q 8.18 3.94 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 152 S 7.69 4.36 0.00 3.98 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 7.62 4.25 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 154 M 7.62 4.37 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.44 0.00 155 D 7.73 4.52 0.00 2.63 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