NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7044 8.4249 119.2033 53.4015 39.1590 172.9300 4 I 4.7352 7.9206 125.8842 59.1222 41.2733 173.1172 5 T 5.0086 9.1735 123.0665 61.6430 72.4341 172.3914 6 I 4.8596 8.4699 125.9683 59.3889 40.7048 173.9484 7 Y 4.9156 9.3701 128.1617 57.6546 38.5003 173.6401 8 H 5.2283 9.5176 125.1287 53.3549 33.2088 172.6197 9 N 4.8132 8.7435 123.6684 51.0840 38.9326 173.1432 10 P 4.0737 0.0000 0.0000 64.8894 31.5287 177.3732 11 A 4.3307 8.2879 119.3350 52.3015 19.2470 176.6941 12 C 4.7813 8.1560 117.9991 57.3016 33.4263 174.2967 13 G 3.7098 8.7058 115.0588 48.3905 0.0000 175.4096 14 T 3.9030 7.9181 117.7172 66.4201 68.2019 176.5193 15 S 4.1808 8.0372 114.5156 61.3941 62.5009 176.2453 16 R 4.0529 8.2035 120.7787 59.4295 29.8631 178.7335 17 N 4.5286 8.5349 116.5273 56.6556 38.4608 177.6052 18 T 3.7690 8.0509 117.0156 66.5049 68.6130 176.3092 19 L 3.8815 8.0563 122.2767 58.4511 42.0379 179.0026 20 E 4.1091 8.4837 118.3840 59.5368 29.1411 179.2855 21 M 3.5324 7.6635 118.2962 57.9034 32.1691 178.3047 22 I 3.7915 7.8167 120.2259 64.7007 37.2921 178.6568 23 R 4.2562 7.9776 119.9018 58.6399 29.8235 178.2018 24 N 4.5585 8.3987 115.9784 55.1014 38.8275 175.9142 25 S 4.6894 7.7547 113.9733 59.1136 63.7023 174.7237 26 G 4.0431 8.6110 111.5849 45.3804 0.0000 173.3875 27 T 4.5716 7.4824 108.6002 59.3629 71.7411 172.4938 28 E 4.4055 8.6183 124.6924 54.4642 30.0173 174.1305 29 P 4.7325 0.0000 0.0000 62.2990 33.1306 176.0641 30 T 4.0021 8.7900 118.4392 63.8380 69.4807 173.5055 31 I 4.6712 8.3216 127.0387 59.7276 39.1723 174.9556 32 I 4.1802 8.5129 129.2959 59.5533 39.0304 175.8497 33 L 4.7728 8.7301 128.2681 52.7518 39.9712 176.9476 34 Y 4.5693 8.2283 120.4246 58.9285 38.4192 178.8016 35 L 3.8977 7.0223 119.6915 56.8618 41.8458 177.5134 36 E 4.4355 7.9331 115.9195 56.8159 31.4574 175.7868 37 N 5.0829 8.2290 115.6657 50.9929 38.9191 171.8652 38 P 4.7818 0.0000 0.0000 61.4434 32.8297 175.3091 39 P 4.5185 0.0000 0.0000 62.5478 31.8887 176.7108 40 S 4.4625 8.3348 115.0087 57.6308 65.2397 175.1949 41 R 3.8484 8.4021 121.0150 59.8245 29.7664 177.9056 42 D 4.3458 8.0916 118.0880 57.3621 40.7307 178.3895 43 E 3.9270 7.9176 119.0005 59.1579 29.6997 178.6277 44 L 3.8287 8.2893 120.8898 58.0417 42.1669 178.9802 45 V 3.5595 8.0799 118.6088 65.8739 31.3472 177.9520 46 K 3.9392 8.0961 119.2913 59.4054 32.0404 178.6942 47 L 3.9417 8.1577 119.6049 57.9462 39.9577 179.6595 48 I 3.6421 7.8553 119.3566 64.1839 37.0531 178.2264 49 A 4.0818 8.0085 121.5644 55.5477 18.0250 179.5589 50 D 4.3705 8.2294 116.1508 57.5155 40.9317 178.5143 51 M 4.4995 7.5635 119.5645 55.0088 32.0517 176.6395 52 G 3.9639 7.6140 106.4057 46.3557 0.0000 173.1054 53 I 4.4766 6.8391 110.8801 57.9955 40.2132 175.0611 54 S 4.4128 8.2069 115.0990 57.6163 64.0595 175.0636 55 V 3.7081 8.4606 120.7101 66.4165 31.2245 178.2836 56 R 3.9451 8.0541 117.5720 59.2832 29.7521 178.0738 57 A 4.0627 8.0211 119.8260 54.4622 18.5618 177.9521 58 L 4.1336 7.9323 118.1162 56.0523 42.6393 176.1665 59 L 4.6398 7.6404 119.2283 55.0778 42.1544 176.5967 60 K 4.0838 8.8569 126.6157 56.0463 32.6032 177.0025 61 K 2.8264 8.2578 127.1061 54.5576 34.5316 175.9634 62 N 5.0302 8.2505 114.2528 53.5648 35.9218 174.9115 63 V 4.5483 7.0270 109.4337 59.5169 36.8581 175.3830 64 E 3.9059 8.7526 121.7861 59.2583 29.4245 177.7052 65 P 4.0988 0.0000 0.0000 65.8050 30.7924 177.5867 66 Y 3.7550 7.9636 118.8876 60.4707 38.5939 177.7897 67 E 3.9929 8.2236 119.3171 59.8241 29.4789 179.4976 68 Q 4.0025 8.0377 116.6189 58.4644 28.9745 177.3763 69 L 3.9984 7.9088 115.9649 54.4790 42.0384 177.0204 70 G 3.8481 7.7206 107.0475 46.5564 0.0000 175.8057 71 L 3.4636 7.1531 120.1805 55.8190 41.6995 178.6028 72 A 4.2041 7.2168 120.5296 54.2127 18.5661 177.9323 73 E 4.2504 7.9008 114.8884 56.3353 30.3959 177.3403 74 D 4.7629 8.3435 123.1733 53.2571 39.6114 175.7916 75 K 4.4746 7.7687 115.5375 55.1309 34.4460 176.0915 76 F 5.1028 7.9504 117.2132 55.2156 42.2428 175.7105 77 T 4.2944 9.1338 116.3994 61.2105 70.7968 175.4549 78 D 4.4293 8.6372 121.1282 57.9413 40.7910 178.9990 79 D 4.3750 8.0617 118.6475 56.9999 40.8685 178.5369 80 Q 3.8370 7.8150 118.8364 59.0359 28.7557 179.0499 81 L 4.1764 8.0538 119.7583 57.8265 41.6839 179.5024 82 I 3.7031 8.0855 120.1293 64.7289 37.0729 178.2821 83 D 4.3295 8.1820 119.5457 57.1390 40.5503 178.7892 84 F 4.4456 8.0235 118.4346 61.0054 38.7571 177.5640 85 M 4.1743 8.3546 118.2678 58.5147 31.5282 178.8944 86 L 4.0370 7.8960 118.1099 57.7330 41.8802 179.0770 87 Q 4.2851 8.0052 116.4196 57.1858 30.2997 176.3437 88 H 4.9567 8.0192 116.9463 53.3461 29.9188 172.1831 89 P 4.6498 0.0000 0.0000 64.0594 31.8686 178.6158 90 I 3.9089 7.7839 117.4744 63.3875 38.2158 176.5030 91 L 4.1840 8.3726 119.8967 56.5091 41.7072 176.2095 92 I 4.3800 7.6205 120.7789 60.2293 37.3653 175.6846 93 N 4.7384 8.8812 127.2303 53.7860 39.8184 173.8673 94 R 4.7090 8.6151 117.4754 54.2584 32.7316 172.7849 95 P 4.9289 0.0000 0.0000 61.3782 33.9137 174.3661 96 I 4.7592 8.1443 122.1847 60.3183 39.2349 174.7226 97 V 4.9560 8.7248 126.0935 61.0393 34.8154 174.1062 98 V 5.0217 9.0644 127.8398 61.4002 34.2314 174.4254 99 T 5.2081 8.8816 117.0596 59.1433 72.2932 173.1066 100 P 4.3196 0.0000 0.0000 65.4317 31.3929 178.2171 101 L 4.1001 7.6523 116.4643 55.0687 41.8874 176.9903 102 G 4.0244 6.5076 106.0679 45.6966 0.0000 170.5375 103 T 5.1893 7.6105 114.5276 61.8363 72.2818 173.8536 104 R 4.6150 8.8277 123.4568 54.1203 35.1226 174.3512 105 L 4.3734 8.5353 124.5345 55.0170 42.1744 177.2841 106 C 4.4940 8.8783 129.3453 58.4024 26.5528 173.0810 107 R 4.5818 7.5893 116.1919 53.3371 32.4569 174.0515 108 P 4.6103 0.0000 0.0000 61.5882 32.6775 177.5161 109 S 4.3995 8.9122 115.1439 60.9137 62.5889 175.8029 110 E 4.0923 8.0620 119.0590 57.5549 29.4594 178.5281 111 V 3.6207 7.9140 120.5679 66.1616 31.4363 177.9729 112 V 3.6383 8.0021 118.7829 64.4330 30.7234 178.2522 113 L 4.0100 7.9026 119.8157 57.6290 41.0924 179.0069 114 D 4.3667 8.0521 118.8343 56.2836 40.8411 177.6275 115 I 4.4162 7.3098 110.1756 59.4636 38.4948 175.4640 116 L 4.2380 6.9332 122.0401 54.4440 42.0243 177.0414 117 Q 4.1083 8.8457 123.4616 58.2797 29.0347 176.3395 118 D 4.8683 7.6748 115.6228 51.9547 42.8378 176.1968 119 A 4.1564 8.3024 125.3548 51.7830 19.1042 177.4843 120 Q 4.1636 8.5508 118.9256 56.7592 29.1075 177.9000 121 K 4.1485 8.8945 121.3552 57.9077 32.4945 176.4027 122 G 4.1207 7.4718 103.7569 45.2398 0.0000 172.9121 123 A 4.6338 9.0597 122.0549 52.4679 19.2288 177.2295 124 F 4.6511 9.1802 121.7292 56.6522 42.6159 173.7135 125 T 4.9049 7.5345 122.0484 61.2430 71.1150 174.3972 126 K 4.3747 9.1147 126.3311 55.9768 32.8243 177.9222 127 E 3.9078 9.0370 119.1337 59.2164 29.3895 177.7136 128 D 4.5387 8.0250 116.6045 53.2648 39.7790 176.9771 129 G 3.9114 8.0766 108.7810 45.2226 0.0000 173.8165 130 E 4.0643 8.4841 120.8937 55.9105 29.6283 176.6056 131 K 4.4020 8.5825 124.2940 56.4503 33.0275 175.7626 132 V 4.2920 8.9364 121.6592 63.9216 33.6147 175.5466 133 V 4.8689 7.4794 112.2262 59.3367 35.0941 175.5671 134 D 5.0191 8.5081 123.1011 52.0072 41.1371 176.8409 135 E 3.9692 8.6402 118.7731 59.1687 29.6712 177.8353 136 A 4.0110 7.9542 120.5685 53.6503 18.5777 178.0654 137 G 4.0169 8.3542 103.5647 44.9508 0.0000 173.4556 138 K 4.2395 8.5172 121.9467 55.1279 32.9758 176.4139 139 R 4.5193 8.4471 125.2654 56.4481 30.6699 176.6783 140 L 4.2340 8.5849 121.7449 55.0500 41.6691 176.6416 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 N 8.42 4.70 0.00 2.69 2.85 0.00 0.00 6.79 7.06 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 4 I 7.92 4.74 1.85 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 1.33 0.79 0.95 0.00 0.00 5 T 9.17 5.01 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 6 I 8.47 4.86 1.86 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 1.29 1.71 0.92 0.00 0.00 7 Y 9.37 4.92 0.00 2.89 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 8 H 9.52 5.23 0.00 3.24 3.18 0.00 5.78 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 9 N 8.74 4.81 0.00 2.93 2.78 0.00 0.00 7.19 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 10 P 0.00 4.07 0.00 2.04 2.11 0.00 3.61 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 11 A 8.29 4.33 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 12 C 8.16 4.78 0.00 3.02 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 13 G 8.71 3.71 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 0.00 0.00 0.00 14 T 7.92 3.90 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 15 S 8.04 4.18 0.00 3.97 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 16 R 8.20 4.05 0.00 2.11 2.03 0.00 3.23 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.93 0.00 17 N 8.53 4.53 0.00 2.93 3.01 0.00 0.00 7.08 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.05 3.77 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 1.19 0.00 0.00 19 L 8.06 3.88 0.00 1.70 1.81 0.85 0.79 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 20 E 8.48 4.11 0.00 2.34 2.28 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 2.68 2.63 0.00 21 M 7.66 3.53 0.00 1.63 1.82 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 1.00 1.38 0.00 22 I 7.82 3.79 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 1.47 0.69 0.93 0.00 0.00 23 R 7.98 4.26 0.00 2.02 2.00 0.00 3.34 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 24 N 8.40 4.56 0.00 3.07 3.08 0.00 0.00 6.89 7.27 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 25 S 7.75 4.69 0.00 4.29 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 26 G 8.61 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 27 T 7.48 4.57 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 1.20 0.00 0.00 28 E 8.62 4.41 0.00 1.92 1.90 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 2.23 2.33 0.00 29 P 0.00 4.73 0.00 2.07 2.00 0.00 3.79 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 1.94 1.95 0.00 30 T 8.79 4.00 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 1.14 0.00 0.00 31 I 8.32 4.67 1.85 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 1.29 0.72 0.93 0.00 0.00 32 I 8.51 4.18 1.31 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.96 0.00 0.00 33 L 8.73 4.77 0.00 1.68 1.55 0.90 0.99 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 34 Y 8.23 4.57 0.00 3.27 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 35 L 7.02 3.90 0.00 1.39 1.59 0.72 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.93 4.44 0.00 1.91 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 2.18 2.22 0.00 37 N 8.23 5.08 0.00 2.83 2.74 0.00 0.00 6.61 8.59 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 38 P 0.00 4.78 0.00 2.25 2.25 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 39 P 0.00 4.52 0.00 2.18 2.09 0.00 3.85 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 1.95 1.74 0.00 40 S 8.33 4.46 0.00 4.08 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 41 R 8.40 3.85 0.00 1.89 1.96 0.00 3.17 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 42 D 8.09 4.35 0.00 2.73 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 43 E 7.92 3.93 0.00 2.14 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 2.41 2.40 0.00 44 L 8.29 3.83 0.00 1.77 1.75 0.80 0.73 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 45 V 8.08 3.56 2.20 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 0.93 0.00 0.00 0.98 0.00 0.00 46 K 8.10 3.94 0.00 1.95 1.96 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 47 L 8.16 3.94 0.00 1.74 1.58 0.40 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.86 3.64 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 1.41 0.87 0.94 0.00 0.00 49 A 8.01 4.08 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 50 D 8.23 4.37 0.00 2.63 2.74 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 51 M 7.56 4.50 0.00 1.96 2.28 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.51 0.00 52 G 7.61 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 0.00 0.00 0.00 53 I 6.84 4.48 1.86 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 1.33 0.74 0.93 0.00 0.00 54 S 8.21 4.41 0.00 4.01 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 55 V 8.46 3.71 2.25 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 1.08 0.00 0.00 0.94 0.00 0.00 56 R 8.05 3.95 0.00 1.97 1.95 0.00 3.29 0.00 0.00 3.41 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 57 A 8.02 4.06 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 58 L 7.93 4.13 0.00 1.71 1.80 0.87 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.64 4.64 0.00 1.80 1.76 1.00 0.76 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 60 K 8.86 4.08 0.00 1.67 1.81 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.37 7.81 61 K 8.26 2.83 0.00 1.43 1.20 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.65 1.09 7.81 62 N 8.25 5.03 0.00 2.94 2.88 0.00 0.00 6.17 7.68 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 63 V 7.03 4.55 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 0.84 0.00 0.00 1.00 0.00 0.00 64 E 8.75 3.91 0.00 2.03 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 2.46 2.38 0.00 65 P 0.00 4.10 0.00 2.15 2.09 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 66 Y 7.96 3.75 0.00 2.98 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 67 E 8.22 3.99 0.00 2.19 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 2.67 2.53 0.00 68 Q 8.04 4.00 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 69 L 7.91 4.00 0.00 1.17 0.96 0.26 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.72 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.15 3.46 0.00 0.43 1.09 0.52 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.22 4.20 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 73 E 7.90 4.25 0.00 2.17 1.90 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 2.35 2.26 0.00 74 D 8.34 4.76 0.00 2.67 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 75 K 7.77 4.47 0.00 0.84 1.18 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.77 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.16 1.27 7.81 76 F 7.95 5.10 0.00 3.03 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 77 T 9.13 4.29 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 78 D 8.64 4.43 0.00 2.76 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 79 D 8.06 4.38 0.00 2.75 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 80 Q 7.81 3.84 0.00 2.39 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 81 L 8.05 4.18 0.00 1.93 1.77 1.00 0.66 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 82 I 8.09 3.70 1.97 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 0.89 0.00 0.00 83 D 8.18 4.33 0.00 2.56 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 84 F 8.02 4.45 0.00 3.20 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 85 M 8.35 4.17 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.64 0.00 86 L 7.90 4.04 0.00 1.76 1.73 0.95 0.79 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 87 Q 8.01 4.29 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.19 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 88 H 8.02 4.96 0.00 3.20 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.65 0.00 2.26 2.25 0.00 3.92 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 90 I 7.78 3.91 1.90 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 1.46 0.78 0.96 0.00 0.00 91 L 8.37 4.18 0.00 1.92 1.76 0.96 1.24 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 92 I 7.62 4.38 1.87 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 1.08 0.53 0.61 0.00 0.00 93 N 8.88 4.74 0.00 2.86 2.66 0.00 0.00 7.06 7.35 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 94 R 8.62 4.71 0.00 1.79 1.64 0.00 3.36 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.90 0.00 95 P 0.00 4.93 0.00 2.18 2.29 0.00 4.00 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 1.86 0.00 96 I 8.14 4.76 1.78 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 1.10 0.43 0.87 0.00 0.00 97 V 8.72 4.96 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 0.94 0.00 0.00 0.95 0.00 0.00 98 V 9.06 5.02 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 1.07 0.00 0.00 1.06 0.00 0.00 99 T 8.88 5.21 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 1.24 0.00 0.00 100 P 0.00 4.32 0.00 2.06 2.16 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 101 L 7.65 4.10 0.00 1.82 1.72 0.91 0.83 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 0.00 102 G 6.51 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 0.00 103 T 7.61 5.19 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 104 R 8.83 4.61 0.00 1.66 1.73 0.00 3.27 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 105 L 8.54 4.37 0.00 1.59 1.57 0.89 0.89 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 0.00 106 C 8.88 4.49 0.00 2.88 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.59 4.58 0.00 1.72 1.82 0.00 3.46 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 108 P 0.00 4.61 0.00 2.45 2.19 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 109 S 8.91 4.40 0.00 4.05 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 0.00 110 E 8.06 4.09 0.00 2.16 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 0.00 2.35 2.31 0.00 111 V 7.91 3.62 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.94 0.00 0.00 112 V 8.00 3.64 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 0.69 0.00 0.00 0.89 0.00 0.00 113 L 7.90 4.01 0.00 1.77 1.73 0.89 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 0.00 114 D 8.05 4.37 0.00 2.74 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 0.00 115 I 7.31 4.42 1.86 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 1.57 0.69 0.90 0.00 0.00 116 L 6.93 4.24 0.00 1.48 1.62 0.84 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 0.00 117 Q 8.85 4.11 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 118 D 7.67 4.87 0.00 2.77 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.30 4.16 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 0.00 120 Q 8.55 4.16 0.00 2.07 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 121 K 8.89 4.15 0.00 1.85 1.87 0.00 1.74 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.46 7.81 122 G 7.47 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 9.06 4.63 1.25 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 0.00 0.00 124 F 9.18 4.65 0.00 3.19 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 0.00 125 T 7.53 4.90 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 1.16 0.00 0.00 126 K 9.11 4.37 0.00 1.92 1.81 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.71 1.67 7.81 127 E 9.04 3.91 0.00 2.07 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 2.57 2.27 0.00 128 D 8.02 4.54 0.00 2.80 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.08 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 0.00 0.00 0.00 130 E 8.48 4.06 0.00 2.09 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 2.34 2.68 0.00 131 K 8.58 4.40 0.00 1.76 1.76 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.42 7.81 132 V 8.94 4.29 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 1.12 0.00 0.00 1.15 0.00 0.00 133 V 7.48 4.87 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 0.82 0.00 0.00 1.02 0.00 0.00 134 D 8.51 5.02 0.00 2.88 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 0.00 135 E 8.64 3.97 0.00 1.94 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 2.30 2.38 0.00 136 A 7.95 4.01 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 0.00 137 G 8.35 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 0.00 138 K 8.52 4.24 0.00 1.81 1.95 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.41 7.81 139 R 8.45 4.52 0.00 1.85 1.87 0.00 3.66 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 140 L 8.58 4.23 0.00 1.63 1.58 0.98 0.80 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