NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2339 8.1633 120.2988 54.5948 32.9187 174.6471 2 K 3.8126 8.6168 126.3805 56.4921 32.3431 175.2271 3 G 4.0145 8.3288 112.7841 43.2363 0.0000 172.5450 4 D 4.4161 8.2904 118.4731 53.8963 42.6157 176.8309 5 K 3.9215 8.6655 127.2233 59.8069 32.3680 179.1253 6 I 3.6077 7.8314 119.6502 64.0014 37.0743 178.2213 7 V 3.7423 8.3903 119.3208 66.2263 31.3276 178.0306 8 I 3.7125 7.7376 119.3642 64.5045 36.8914 178.3771 9 Q 3.9222 7.6606 118.7911 59.2591 28.4786 178.4268 10 H 4.0675 8.0383 117.0398 59.0747 28.7204 177.7650 11 L 4.0130 8.0464 120.4520 57.9899 41.3564 179.4471 12 N 4.3367 8.3589 116.4513 55.9306 38.3620 177.3667 13 K 3.8810 8.4381 121.5097 59.7135 32.3327 178.9494 14 I 3.7347 8.0646 120.3687 64.3089 37.0111 178.2388 15 L 4.1005 8.3695 121.7624 57.9717 41.7333 179.2863 16 G 3.6150 8.3139 106.1977 47.7755 0.0000 175.5313 17 N 4.3449 7.9728 118.4879 56.0601 38.4862 177.4450 18 E 3.9554 8.2190 120.1547 59.3033 29.5155 179.2627 19 L 3.9197 7.9714 119.0671 57.7892 41.5886 179.7582 20 I 3.6242 7.3307 119.0376 64.2883 37.0994 178.2288 21 A 3.3179 7.6968 121.4709 54.8878 18.1296 179.5846 22 I 3.5292 7.7062 118.2963 64.7151 37.3340 178.3855 23 N 4.3306 7.8487 116.5780 56.3141 38.3622 177.3613 24 Q 3.8927 8.0938 120.9263 59.5775 29.1810 178.0108 25 Y 4.6843 7.9647 119.0645 60.4202 37.8008 178.1570 26 F 4.0195 8.3586 121.7708 60.9869 39.4407 177.0513 27 L 3.9316 8.0053 119.7612 58.5206 41.9189 178.4524 28 H 3.8873 8.2507 115.9812 58.7484 28.6538 177.3305 29 A 4.0905 8.2877 122.7380 55.6435 18.2333 180.0848 30 R 3.7566 7.8442 116.1583 59.1697 29.9814 179.4082 31 M 3.4434 7.7910 118.9391 58.3549 31.7947 178.0017 32 Y 4.5306 7.6316 117.2169 61.3235 38.0801 178.5436 33 E 3.9049 8.2209 119.7836 59.5419 29.6167 178.3975 34 D 4.6122 8.1847 116.7928 56.5814 41.2437 177.3302 35 W 5.0264 7.9203 117.1423 56.3106 29.4877 176.9382 36 G 3.9536 8.5041 107.6977 45.6194 0.0000 175.0167 37 L 4.5568 8.0874 120.7888 53.0289 40.7963 177.1093 38 E 3.9244 8.2612 123.4620 59.6853 29.8919 179.6002 39 K 3.9627 7.7476 118.9080 59.4842 32.2951 178.5241 40 L 4.0346 7.8150 120.1795 58.1311 42.0007 178.9905 41 G 3.7788 8.4153 106.0768 47.7072 0.0000 175.6174 42 K 3.9411 8.2758 121.9733 59.4226 32.2428 178.5039 43 H 3.9029 7.9738 118.8932 58.9951 29.2780 177.1503 44 E 3.9481 8.2650 120.5711 59.2517 29.2708 178.4611 45 Y 4.1422 8.1294 119.7014 61.3234 38.7909 178.2118 46 H 4.0570 7.9700 116.6731 58.7140 28.3529 177.4473 47 E 3.8515 8.0139 120.6604 58.6919 29.2049 178.6640 48 S 4.3948 7.9357 113.5380 61.1540 62.5557 176.0688 49 I 3.6265 7.5986 122.6719 64.1940 36.6789 178.0036 50 D 4.2359 8.3100 120.2058 57.5623 40.6651 178.8588 51 E 3.8828 7.8237 117.4760 59.3365 29.4487 179.2979 52 M 4.0610 7.6670 119.2081 58.0528 31.9029 178.8865 53 K 4.0042 7.8727 118.8345 59.4684 32.2304 179.0424 54 H 4.1988 8.4140 116.5414 58.9302 28.6185 177.3897 55 A 3.9813 8.0760 122.4649 55.3740 18.1146 179.1114 56 D 4.2510 7.9903 116.0086 57.5470 41.3438 178.6456 57 K 3.9755 8.2114 118.9466 59.3473 31.9383 179.2577 58 L 3.9828 8.1028 119.1982 58.0189 41.7590 179.3824 59 I 3.6891 8.0447 119.9222 64.6482 37.1952 178.6406 60 K 4.0238 8.2521 119.0577 59.3765 31.9885 179.4119 61 R 4.0189 8.1734 118.9875 59.6241 29.9615 178.6393 62 I 3.7754 8.0996 119.8369 64.4053 37.0348 178.4777 63 L 4.0117 7.9553 119.6310 57.6676 41.2247 179.2742 64 F 4.4649 8.1137 119.5467 60.6257 39.3220 176.1517 65 L 4.6034 7.2846 117.5738 52.7084 41.9549 176.1982 66 E 3.6884 7.9660 117.1612 57.8469 27.3070 173.7628 67 G 4.0890 8.1845 106.2201 43.6552 0.0000 172.7349 68 L 4.5332 8.0806 118.8002 51.9712 42.3009 175.1747 69 P 4.3112 0.0000 0.0000 62.9369 31.7288 176.1931 70 N 4.7541 8.6899 120.5032 52.2758 38.7014 173.6354 71 L 4.6387 8.2763 123.8617 54.3916 42.2923 177.4014 72 Q 4.1871 8.3856 122.3502 57.0921 29.7401 175.5446 73 E 4.3194 8.2678 117.5169 54.7175 30.0415 174.9411 74 L 4.4361 8.3077 126.7323 52.7858 42.9838 176.2500 75 G 3.8422 8.3738 115.4393 44.5969 0.0000 172.0651 76 K 4.0657 8.2842 120.5737 56.1619 32.6422 176.3525 77 L 4.4780 8.2465 125.5654 54.0760 42.8347 176.8573 78 L 4.5921 8.0598 121.1585 52.9885 41.5387 174.3463 79 I 4.1514 7.9545 121.8578 59.9932 37.7767 176.6166 80 G 4.0218 8.7221 114.8555 45.0212 0.0000 172.4124 81 E 4.8332 8.6814 116.5823 56.2969 31.7454 176.8088 82 H 5.0332 7.8082 113.4549 53.5404 32.8316 173.5863 83 T 4.1315 8.6845 117.3586 67.3898 68.4426 175.8970 84 K 3.7785 8.2203 120.5341 59.7838 32.2554 178.5438 85 E 4.0168 7.8619 118.7976 59.5806 29.6582 178.4400 86 M 4.0377 8.1902 118.8003 58.3147 31.9492 178.7454 87 L 4.0724 8.3066 119.3311 58.0305 41.7608 179.5190 88 E 4.0037 8.1545 118.3711 59.4994 29.3538 179.2398 89 C 4.2096 8.6461 117.2323 62.8337 28.1265 175.8951 90 D 4.5780 8.3977 120.5283 57.3383 40.4862 178.3651 91 L 3.9642 8.0481 120.8083 58.2789 42.0116 179.2122 92 K 3.9924 8.3885 118.4960 59.3121 31.7843 178.9801 93 L 3.9795 8.0275 120.5565 58.3486 41.8375 178.6941 94 E 4.0578 8.4560 118.1289 59.4907 29.5031 178.4966 95 Q 4.1646 8.3915 117.9442 58.6549 28.5477 178.3242 96 A 4.2148 8.1779 121.5337 54.9182 18.7044 179.4559 97 G 3.7382 7.9767 103.8003 46.9069 0.0000 175.9174 98 L 4.0391 7.5698 120.6483 57.5660 41.7447 177.7372 99 P 4.2536 0.0000 0.0000 65.9995 31.0970 177.9913 100 D 4.3771 8.0816 118.0587 57.1515 40.8382 178.5286 101 L 4.0022 7.9885 119.3125 57.9354 41.6922 179.8708 102 K 4.0372 8.3728 118.2607 59.2179 31.9207 179.3877 103 A 3.9999 8.2418 121.0355 55.0138 18.2704 179.4503 104 A 3.6082 7.9880 119.3098 55.2397 18.5031 179.9413 105 I 3.6246 7.8626 117.9500 64.5980 37.3519 178.5351 106 A 4.0259 8.0864 121.5381 55.2203 18.2536 179.1635 107 Y 3.8941 8.0509 119.3529 60.5940 38.9934 177.7530 108 C 4.0391 8.3403 117.6786 62.7022 28.1025 176.0976 109 E 3.8715 8.0255 120.3362 59.4796 29.2058 179.3825 110 S 4.0615 7.7707 113.8499 60.9575 62.5812 175.8556 111 V 4.1175 6.9656 112.5700 60.2523 31.6640 176.6358 112 G 3.1243 7.2377 106.8430 46.1533 0.0000 175.3413 113 D 4.4925 7.2915 121.3136 52.9229 38.1233 176.3014 114 Y 4.2836 7.3401 121.0262 60.5486 38.2965 177.6954 115 A 4.1076 8.0505 121.5859 55.2040 18.6067 179.7187 116 S 4.1269 8.1814 113.7774 61.6562 62.9002 176.8243 117 R 3.9148 7.9976 121.3550 59.4496 29.5726 178.1650 118 E 3.9723 8.3718 119.1160 58.9768 29.6594 178.7260 119 L 4.0055 7.6673 120.4436 58.2691 42.2390 178.9900 120 L 4.0509 7.9615 118.8581 57.6767 41.4354 179.4174 121 E 3.9906 8.3531 118.7685 59.4997 29.5170 179.1347 122 D 4.3492 7.7692 117.4995 57.3903 40.8848 178.8588 123 I 3.5138 7.5677 119.8721 64.1956 37.1282 178.1156 124 L 3.9488 8.2634 121.5708 58.3147 41.7584 178.7440 125 E 4.0326 8.4375 118.9152 58.8812 29.3561 178.5854 126 S 4.1726 7.8829 113.0220 61.0187 62.5235 175.8629 127 E 4.1126 8.3529 121.4833 59.4988 29.2298 179.1264 128 E 4.0496 8.2712 118.5568 59.3937 29.4742 179.1698 129 D 4.4317 7.7898 118.6485 57.6767 40.8542 178.2790 130 H 4.4079 8.1784 118.5815 59.4504 29.8520 177.2805 131 I 3.7316 8.0810 121.7098 64.3962 36.8402 177.9560 132 D 4.3189 8.3018 118.8633 57.0284 41.1100 177.9706 133 W 4.0952 8.4082 128.8819 60.4392 30.8145 177.8234 134 L 3.7129 8.4833 119.1167 57.8675 41.1163 179.0681 135 E 3.8796 8.4288 118.7739 59.9740 29.4149 179.6461 136 T 3.7436 7.8934 115.4261 66.7359 68.4355 176.5002 137 Q 3.6685 7.4032 119.6480 58.9675 28.5032 179.1059 138 L 3.7898 7.4673 119.4572 57.7658 41.3468 179.3848 139 D 4.2851 7.8054 118.2230 57.0524 40.9341 178.5444 140 L 4.0822 8.0798 120.0279 57.8477 41.7721 179.2710 141 I 3.5299 7.6592 120.1168 64.4919 36.8213 177.3046 142 D 4.6388 7.4938 116.0460 54.9516 40.8999 177.5136 143 K 4.4021 8.1554 119.8465 56.6389 33.6025 176.8304 144 I 4.2391 7.9596 109.2313 59.9068 39.2845 176.0389 145 G 3.9469 8.1695 109.6898 45.9797 0.0000 173.9553 146 L 3.9367 8.7395 124.2526 58.4042 41.8923 178.9758 147 E 3.9487 8.2828 117.5297 59.8495 29.4487 178.9493 148 N 4.2856 8.1269 115.3735 56.5216 38.4974 176.3921 149 Y 4.0656 7.8896 119.5351 61.0802 39.1188 178.2484 150 L 4.0230 8.3192 119.7261 57.5764 41.5157 179.2784 151 Q 3.9473 8.1539 120.0303 58.9899 28.8515 177.7415 152 S 4.4793 7.7932 111.6893 59.1415 63.6160 174.9592 153 Q 4.2661 7.5634 121.4833 56.1103 29.0752 176.8170 154 M 4.2315 8.0499 120.1745 56.6186 32.0114 176.2667 155 D 4.5154 8.3941 125.6195 53.8143 39.8412 177.0305 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 4.23 0.00 1.20 1.83 0.00 0.00 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 2 K 8.62 3.81 0.00 1.80 1.71 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.60 7.81 3 G 8.33 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.29 4.42 0.00 2.83 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 5 K 8.67 3.92 0.00 1.85 1.78 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.51 7.81 6 I 7.83 3.61 1.97 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 1.38 0.44 -0.17 0.00 0.00 7 V 8.39 3.74 2.34 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 1.14 0.00 0.00 1.22 0.00 0.00 8 I 7.74 3.71 2.02 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 1.85 0.71 0.89 0.00 0.00 9 Q 7.66 3.92 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 10 H 8.04 4.07 0.00 3.35 3.34 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 8.05 4.01 0.00 1.92 1.73 0.96 0.64 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 12 N 8.36 4.34 0.00 2.96 2.84 0.00 0.00 6.67 7.85 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 13 K 8.44 3.88 0.00 1.88 2.04 0.00 1.51 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.53 7.81 14 I 8.06 3.73 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.55 0.92 0.00 0.00 15 L 8.37 4.10 0.00 1.81 1.84 0.96 0.96 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 16 G 8.31 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 17 N 7.97 4.34 0.00 2.91 2.87 0.00 0.00 6.99 8.95 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 18 E 8.22 3.96 0.00 2.14 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 2.58 2.51 0.00 19 L 7.97 3.92 0.00 1.81 1.68 0.89 0.47 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 20 I 7.33 3.62 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 1.42 0.75 0.91 0.00 0.00 21 A 7.70 3.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.71 3.53 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.06 0.84 0.00 0.00 23 N 7.85 4.33 0.00 2.75 2.84 0.00 0.00 6.77 8.20 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 24 Q 8.09 3.89 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.34 0.00 25 Y 7.96 4.68 0.00 3.05 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 26 F 8.36 4.02 0.00 3.36 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 27 L 8.01 3.93 0.00 1.95 1.75 0.90 0.97 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 28 H 8.25 3.89 0.00 3.48 3.03 0.00 5.69 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 8.29 4.09 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.84 3.76 0.00 1.67 1.85 0.00 3.10 0.00 0.00 2.90 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.71 0.00 31 M 7.79 3.44 0.00 0.79 1.60 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 2.48 2.18 0.00 32 Y 7.63 4.53 0.00 3.18 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 33 E 8.22 3.90 0.00 2.23 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 2.22 2.32 0.00 34 D 8.18 4.61 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 35 W 7.92 5.03 0.00 3.74 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 36 G 8.50 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 0.00 0.00 0.00 37 L 8.09 4.56 0.00 2.18 1.65 1.00 1.49 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 38 E 8.26 3.92 0.00 2.04 2.02 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 2.62 2.50 0.00 39 K 7.75 3.96 0.00 1.74 1.82 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.45 7.81 40 L 7.81 4.03 0.00 1.54 1.25 1.09 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.42 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.28 3.94 0.00 1.91 1.91 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.36 7.81 43 H 7.97 3.90 0.00 3.20 3.10 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 44 E 8.26 3.95 0.00 2.37 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 2.73 2.95 0.00 45 Y 8.13 4.14 0.00 3.02 3.08 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 46 H 7.97 4.06 0.00 3.08 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.01 3.85 0.00 2.00 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 1.47 2.08 0.00 48 S 7.94 4.39 0.00 4.20 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 49 I 7.60 3.63 1.78 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.32 0.79 0.00 0.00 50 D 8.31 4.24 0.00 2.87 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 51 E 7.82 3.88 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.46 0.00 52 M 7.67 4.06 0.00 1.95 2.21 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.51 0.00 53 K 7.87 4.00 0.00 1.96 1.84 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.62 7.81 54 H 8.41 4.20 0.00 3.37 3.34 0.00 5.66 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 8.08 3.98 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 7.99 4.25 0.00 2.94 2.87 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 57 K 8.21 3.98 0.00 2.01 1.86 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.66 7.81 58 L 8.10 3.98 0.00 1.89 1.72 0.93 0.64 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 59 I 8.04 3.69 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 1.52 1.36 0.91 0.00 0.00 60 K 8.25 4.02 0.00 1.98 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.54 7.81 61 R 8.17 4.02 0.00 2.07 2.15 0.00 3.33 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 1.69 1.79 0.00 62 I 8.10 3.78 2.02 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 1.53 0.70 0.97 0.00 0.00 63 L 7.96 4.01 0.00 2.08 1.77 0.98 0.83 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 64 F 8.11 4.46 0.00 3.01 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.28 4.60 0.00 1.84 1.58 0.78 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.97 3.69 0.00 2.04 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 2.20 2.13 0.00 67 G 8.18 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.08 4.53 0.00 1.61 1.61 0.91 0.98 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 69 P 0.00 4.31 0.00 2.03 2.00 0.00 3.70 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 70 N 8.69 4.75 0.00 2.68 2.76 0.00 0.00 7.05 7.33 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 71 L 8.28 4.64 0.00 1.63 1.61 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.39 4.19 0.00 1.97 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.16 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 73 E 8.27 4.32 0.00 1.97 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 2.24 2.26 0.00 74 L 8.31 4.44 0.00 1.56 1.54 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.37 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 76 K 8.28 4.07 0.00 1.73 1.73 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 77 L 8.25 4.48 0.00 1.65 1.56 0.95 0.92 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 78 L 8.06 4.59 0.00 1.87 1.64 0.97 0.87 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 79 I 7.95 4.15 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.76 0.94 0.00 0.00 80 G 8.72 4.02 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 0.00 0.00 0.00 81 E 8.68 4.83 0.00 2.20 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 2.32 2.27 0.00 82 H 7.81 5.03 0.00 3.21 3.27 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 8.68 4.13 4.40 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 1.46 0.00 0.00 84 K 8.22 3.78 0.00 1.81 1.89 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.46 7.81 85 E 7.86 4.02 0.00 1.74 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 2.36 2.38 0.00 86 M 8.19 4.04 0.00 1.78 2.26 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.20 0.00 87 L 8.31 4.07 0.00 2.01 1.68 1.11 1.01 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 8.15 4.00 0.00 2.22 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 2.31 2.41 0.00 89 C 8.65 4.21 0.00 3.15 3.39 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 90 D 8.40 4.58 0.00 2.89 2.67 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 91 L 8.05 3.96 0.00 1.84 1.91 0.93 0.44 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 92 K 8.39 3.99 0.00 1.99 1.88 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.80 7.81 93 L 8.03 3.98 0.00 2.05 1.95 0.91 0.84 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 8.46 4.06 0.00 2.25 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 2.44 2.51 0.00 95 Q 8.39 4.16 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 96 A 8.18 4.21 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 97 G 7.98 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.57 4.04 0.00 1.93 1.77 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.25 0.00 2.27 2.33 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 100 D 8.08 4.38 0.00 2.93 2.78 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 0.00 0.00 0.00 0.00 101 L 7.99 4.00 0.00 1.91 1.73 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.37 4.04 0.00 1.81 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 1.48 1.70 7.81 103 A 8.24 4.00 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 0.00 104 A 7.99 3.61 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 0.00 105 I 7.86 3.62 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.15 0.93 0.00 0.00 106 A 8.09 4.03 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 0.00 107 Y 8.05 3.89 0.00 3.08 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 0.00 108 C 8.34 4.04 0.00 3.13 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 0.00 109 E 8.03 3.87 0.00 2.19 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 2.38 2.50 0.00 110 S 7.77 4.06 0.00 3.92 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 0.00 111 V 6.97 4.12 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 0.10 0.00 0.00 0.78 0.00 0.00 112 G 7.24 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 0.00 0.00 0.00 113 D 7.29 4.49 0.00 2.72 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 0.00 114 Y 7.34 4.28 0.00 3.09 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 0.00 115 A 8.05 4.11 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 8.18 4.13 0.00 4.10 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.00 3.91 0.00 1.93 2.17 0.00 3.28 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 118 E 8.37 3.97 0.00 2.40 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 119 L 7.67 4.01 0.00 1.87 1.88 0.95 0.88 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 7.96 4.05 0.00 1.90 1.72 0.94 1.00 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 0.00 121 E 8.35 3.99 0.00 2.18 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 2.35 2.60 0.00 122 D 7.77 4.35 0.00 2.86 2.71 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 0.00 0.00 0.00 0.00 123 I 7.57 3.51 1.93 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 1.16 0.71 0.76 0.00 0.00 124 L 8.26 3.95 0.00 1.79 1.92 0.95 0.75 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 0.00 125 E 8.44 4.03 0.00 2.18 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 2.33 2.34 0.00 126 S 7.88 4.17 0.00 4.03 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 8.35 4.11 0.00 2.20 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 0.00 2.66 2.55 0.00 128 E 8.27 4.05 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 129 D 7.79 4.43 0.00 3.06 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 0.00 130 H 8.18 4.41 0.00 3.32 3.56 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 0.00 131 I 8.08 3.73 2.09 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 1.45 0.69 0.97 0.00 0.00 132 D 8.30 4.32 0.00 2.87 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 W 8.41 4.10 0.00 3.53 3.48 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 8.48 3.71 0.00 1.87 1.67 0.79 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.43 3.88 0.00 2.07 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 2.31 2.59 0.00 136 T 7.89 3.74 4.17 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 1.11 0.00 0.00 137 Q 7.40 3.67 0.00 1.70 1.67 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 1.16 1.16 0.00 138 L 7.47 3.79 0.00 1.75 1.59 0.85 0.78 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 0.00 139 D 7.81 4.29 0.00 2.72 2.66 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 0.00 140 L 8.08 4.08 0.00 1.89 1.70 0.90 0.65 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 0.00 141 I 7.66 3.53 1.73 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.11 0.76 0.00 0.00 142 D 7.49 4.64 0.00 2.56 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 0.00 143 K 8.16 4.40 0.00 1.78 1.82 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.61 7.81 144 I 7.96 4.24 1.89 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 1.61 0.70 0.92 0.00 0.00 145 G 8.17 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 0.00 0.00 0.00 146 L 8.74 3.94 0.00 1.75 1.70 0.93 0.96 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 0.00 147 E 8.28 3.95 0.00 2.09 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 2.40 2.47 0.00 148 N 8.13 4.29 0.00 3.00 2.88 0.00 0.00 6.58 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 7.89 4.07 0.00 2.91 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 0.00 150 L 8.32 4.02 0.00 1.89 1.70 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.15 3.95 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 152 S 7.79 4.48 0.00 3.99 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 7.56 4.27 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.76 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 154 M 8.05 4.23 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.49 0.00 155 D 8.39 4.52 0.00 2.76 2.62 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