NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9806 8.3549 109.7392 45.5063 0.0000 172.7523 2 L 4.3596 8.0353 118.9139 50.9394 43.6560 175.7866 3 S 4.5625 9.5476 118.4192 57.6797 66.3069 174.9041 4 D 4.6426 8.6922 121.5025 57.6103 40.4776 179.2977 5 G 3.6355 8.1121 105.6871 47.7060 0.0000 175.4139 6 E 3.8689 8.1802 120.8310 59.0924 29.5317 179.2612 7 W 4.4831 8.1312 119.1517 60.1142 29.0483 178.3760 8 Q 4.0942 8.5692 119.4648 59.2580 28.4914 178.2583 9 Q 4.0324 8.3625 119.2346 58.8953 28.7803 178.8751 10 V 3.7263 8.0313 119.2324 66.3236 31.5972 178.0465 11 L 4.3524 8.3154 118.0543 56.9397 41.3022 178.8784 12 N 4.3476 8.3073 117.3041 56.8199 39.2787 177.0079 13 V 3.7675 7.9999 120.5460 64.4677 31.4655 178.0100 14 W 4.0097 8.5563 129.3000 60.1508 30.2995 177.9539 15 G 3.7683 8.2693 105.0901 47.9805 0.0000 175.4261 16 K 4.0054 7.6916 120.0984 59.0814 31.9772 179.6493 17 V 2.8121 6.9758 118.0848 65.6176 31.1611 177.5728 18 E 3.9274 7.4937 116.2619 58.2507 29.3061 178.5655 19 A 4.1631 7.4124 120.4340 53.9166 20.1076 177.6126 20 D 4.6500 7.8793 116.0081 52.0874 42.9736 175.2182 21 I 3.5679 7.8047 123.6827 64.0385 38.3836 176.5593 22 A 4.3035 7.3939 122.3771 54.6314 18.3244 179.5901 23 G 3.9590 8.5257 105.9183 47.8100 0.0000 175.6447 24 H 4.1477 8.3186 118.8608 58.3605 28.7099 178.1599 25 G 3.5547 8.4059 107.9977 47.7142 0.0000 175.4589 26 Q 3.8618 8.1513 122.2189 59.0320 29.0566 178.3379 27 E 3.8643 8.0443 119.5613 59.1776 29.4043 179.5338 28 V 3.5075 7.8599 118.3429 66.0558 31.6015 178.1609 29 L 3.3890 7.7559 118.6228 57.5236 41.3633 179.5423 30 I 3.6478 7.7150 119.9191 64.3316 36.9566 178.4533 31 R 3.8150 8.0310 119.6053 59.1332 29.8675 178.3057 32 L 3.9160 7.8418 120.0991 58.4190 42.0403 179.1168 33 F 4.6398 8.2889 118.3361 60.5294 38.5767 177.7462 34 T 4.1457 7.9821 108.9810 64.3758 69.0500 177.0540 35 G 3.6726 8.1483 107.7484 46.3485 0.0000 173.7504 36 H 4.7071 8.1259 117.7437 52.2359 29.4892 171.9780 37 P 4.6114 0.0000 0.0000 64.4207 31.1746 177.4918 38 E 4.1059 8.2900 116.5535 59.5341 29.4169 179.2136 39 T 3.8351 8.0899 111.1048 64.5517 68.8594 176.2106 40 L 3.4176 7.7596 122.4169 57.8962 41.7531 178.8099 41 E 4.0877 7.7424 116.0965 58.9251 29.4304 178.8611 42 K 4.4543 8.0528 116.8235 56.9143 32.7505 176.8654 43 F 4.6260 8.0372 118.9032 55.2932 38.8250 175.5530 44 D 4.3986 8.7529 126.9920 57.2521 40.7407 179.1555 45 K 4.1737 7.8279 114.4918 57.8054 33.1613 177.0050 46 F 5.0904 7.8635 117.9291 57.3346 40.2055 177.4465 47 K 3.9532 7.7295 119.8986 59.4570 31.8812 177.6346 48 H 4.4036 8.1581 111.9973 56.5148 28.9660 175.0895 49 L 4.2245 7.6708 121.5979 54.2871 41.1903 176.4159 50 K 4.4497 9.7330 124.2675 56.3671 34.0825 177.0834 51 T 4.7358 7.5102 108.2791 59.0323 73.0351 174.2826 52 E 3.9237 8.6249 121.5418 59.1625 29.7006 178.6651 53 A 3.9721 8.0078 120.5198 55.3150 18.2221 179.2297 54 E 3.9318 8.1073 115.7146 59.8089 29.9314 179.2403 55 M 4.1540 8.0417 118.5919 58.4766 31.8445 179.0573 56 K 3.9666 8.1655 117.3372 59.1958 32.2732 178.7860 57 A 4.3826 7.8919 119.4176 52.7452 18.7521 177.8298 58 S 4.3027 7.6048 112.6646 57.5532 62.8917 174.1043 59 E 3.9682 8.7468 131.1205 59.3225 29.4530 177.9380 60 D 4.4905 8.1735 117.8174 57.0890 41.3041 177.8604 61 L 3.4887 8.1219 121.0282 57.7587 42.0803 178.7495 62 K 3.8269 7.9326 119.6091 59.3495 32.1387 178.4311 63 K 3.8963 8.4613 120.2427 59.9913 32.0377 178.1591 64 H 4.2904 8.7560 118.7926 59.0607 29.8010 177.1380 65 G 3.7231 8.4683 108.0783 48.3278 0.0000 175.5782 66 T 3.8794 7.9335 118.1855 66.2045 68.4906 176.7046 67 V 3.5977 7.7663 120.2355 66.0535 31.5370 178.4981 68 V 3.6732 7.9307 118.9656 65.0066 31.2693 178.3675 69 L 4.2418 8.1095 119.9218 57.5150 41.4681 179.6420 70 T 3.9792 8.2222 115.7771 66.5265 68.5159 176.5050 71 A 3.9785 8.1577 122.7262 55.1427 18.3578 179.4887 72 L 3.6934 8.2078 119.0625 57.8890 42.1103 179.2954 73 G 3.3184 8.3984 106.1719 47.6955 0.0000 175.8728 74 G 3.5981 7.7010 106.9743 47.3370 0.0000 175.6709 75 I 3.7674 7.3204 121.6460 64.2011 37.1444 178.3380 76 L 3.9302 7.7656 120.1318 57.8987 41.2161 179.7430 77 K 3.9918 7.6645 116.4468 58.3905 32.2027 178.7718 78 K 3.9352 7.8634 118.2997 56.1315 32.8004 176.4739 79 K 2.0000 8.1605 118.7032 56.3056 29.6865 175.5516 80 G 3.8654 7.6081 105.4102 45.8148 0.0000 173.3749 81 H 4.5670 7.4334 119.3925 55.1197 27.3630 174.7925 82 H 5.1624 7.3508 111.2245 53.9907 29.8410 176.1035 83 E 3.9680 8.5869 122.8225 60.1919 29.0346 178.4443 84 A 4.0391 7.9853 118.9826 55.1387 18.1839 179.0627 85 E 4.1166 8.0664 116.5038 59.4830 29.8675 179.0228 86 L 4.1307 8.4628 120.8489 57.7722 42.2255 178.5530 87 K 3.8659 8.1313 120.0403 59.2664 32.1677 177.0445 88 P 4.3362 0.0000 0.0000 65.6929 31.3086 178.2837 89 L 4.0998 8.0043 118.3496 57.5156 41.4787 179.1994 90 A 4.1327 8.5280 121.1167 55.4715 18.3816 179.7751 91 Q 3.9135 8.0424 116.5359 58.9357 28.6780 179.2018 92 S 3.9862 8.2309 115.3794 61.9065 63.1087 176.3849 93 H 4.1396 8.5101 119.8328 57.9303 28.0595 177.8333 94 A 2.5800 8.1096 123.1484 54.4432 17.9387 179.3693 95 T 3.8529 7.1892 112.0331 65.5564 69.3045 176.5876 96 K 3.9457 7.5711 119.7201 59.0294 32.4589 177.1065 97 H 4.5434 7.8774 113.2020 54.8085 30.0328 174.7420 98 K 3.7230 7.4486 116.8789 56.2750 29.0186 176.1685 99 I 4.1784 7.7887 119.2012 58.9127 38.2404 175.0819 100 P 4.6055 0.0000 0.0000 62.1796 32.1168 177.2433 101 I 3.4952 8.8010 121.1682 64.5273 37.5530 177.9729 102 K 3.6788 7.9981 119.5906 59.7342 31.8451 178.1789 103 Y 4.0470 8.0668 116.9933 60.7973 37.7244 178.2032 104 L 4.0929 7.8572 119.7646 57.5397 41.7392 178.8577 105 E 3.9182 7.9809 119.3237 59.2827 29.5614 178.7361 106 F 4.4787 7.9700 117.8762 60.9885 38.9401 177.6629 107 I 3.8357 8.2285 117.9801 63.9244 37.7364 178.1323 108 S 4.2179 8.2390 116.4457 61.7184 62.6727 176.3047 109 D 4.4611 8.4812 121.4213 57.2678 40.5711 178.6667 110 A 4.0445 8.2614 121.3984 55.1592 18.2884 179.7412 111 I 3.6961 8.1539 118.5362 64.5903 37.2227 178.5223 112 I 3.8818 7.9361 120.5834 64.7961 36.9322 177.7757 113 H 4.0804 8.4103 118.7937 59.3752 29.7294 177.3520 114 V 3.5512 7.8781 119.7823 66.0947 31.3709 177.9611 115 L 3.8112 8.0095 118.9469 57.8442 41.0418 179.1022 116 H 4.4339 8.0569 117.4340 59.3439 29.9693 176.8213 117 S 4.0999 8.1159 114.1946 61.0240 62.2433 175.5786 118 K 4.2103 7.8247 118.9346 56.9247 33.6243 176.3757 119 H 5.0436 8.1545 116.4338 54.0525 29.7736 173.1616 120 P 4.3610 0.0000 0.0000 65.7558 31.7235 179.0870 121 G 3.7424 8.1260 106.4183 47.4066 0.0000 173.6307 122 D 5.0425 8.1483 118.4591 53.8894 41.6414 176.6086 123 F 4.8754 8.0266 120.9002 55.9504 39.5916 174.4566 124 G 3.8638 7.9798 107.6520 43.8995 0.0000 172.8833 125 A 3.8916 8.4668 121.1486 55.1827 18.1322 179.5945 126 D 4.1488 7.8804 116.7367 56.6486 39.6357 178.5494 127 A 3.9147 7.7385 122.1339 54.5670 18.3394 179.2075 128 Q 2.8458 7.8849 118.6327 58.8092 28.9735 178.6555 129 G 3.5156 8.1750 106.8623 47.6118 0.0000 175.6007 130 A 3.8194 7.8126 123.0558 55.0402 18.4248 179.3526 131 M 4.0058 8.2108 116.9272 59.1481 32.2908 178.4590 132 T 3.9200 8.2512 116.1804 66.6968 68.5904 176.6657 133 K 3.8680 8.1812 120.1058 59.2916 32.1639 179.1672 134 A 3.8581 7.9946 121.0892 55.2852 18.2434 179.7732 135 L 4.1152 8.1288 117.4525 57.9358 41.6346 179.5825 136 E 3.9634 8.5169 118.8852 59.1189 29.2893 179.0645 137 L 3.9520 8.1731 120.5065 58.1226 42.1796 178.5971 138 F 4.1671 8.1424 120.0386 61.5615 39.3179 176.9059 139 R 3.4442 8.1772 118.2361 59.3909 29.9218 177.9926 140 N 4.2532 8.4892 117.1616 56.6819 38.8240 176.6924 141 D 4.3345 8.2495 120.5235 57.3634 40.8576 178.7959 142 I 3.4650 7.5381 120.1349 64.1099 36.9097 178.1586 143 A 3.7186 8.0923 121.7774 55.1439 18.0786 179.4583 144 A 3.9492 7.8019 118.6615 55.3494 18.4374 180.0767 145 K 3.9745 7.8024 117.0066 59.6737 32.1000 179.1327 146 Y 4.2198 8.5776 117.5404 61.0678 37.8667 178.6932 147 K 3.9502 8.5349 120.7849 59.4215 32.0941 178.0352 148 E 3.9409 8.1432 118.5205 59.6760 29.6340 178.7726 149 L 4.2313 7.9113 116.1874 55.2769 41.6830 177.9019 150 G 3.8349 7.8155 106.6259 46.0388 0.0000 173.0745 151 F 4.3508 8.1083 122.3759 57.2427 39.7370 175.5862 152 Q 3.9016 7.9786 125.8838 55.8782 29.0057 175.3381 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 G 8.35 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 2 L 8.04 4.36 0.00 0.49 0.73 0.51 -0.76 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 3 S 9.55 4.56 0.00 4.03 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 4 D 8.69 4.64 0.00 2.77 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 5 G 8.11 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 6 E 8.18 3.87 0.00 2.02 1.70 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 2.21 2.26 0.00 7 W 8.13 4.48 0.00 3.54 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 8 Q 8.57 4.09 0.00 2.19 2.32 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 2.41 2.46 0.00 9 Q 8.36 4.03 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.56 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 10 V 8.03 3.73 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.87 0.00 0.00 11 L 8.32 4.35 0.00 1.87 1.81 0.94 0.46 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 12 N 8.31 4.35 0.00 2.86 3.11 0.00 0.00 7.20 7.98 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 13 V 8.00 3.77 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.81 0.00 0.00 14 W 8.56 4.01 0.00 3.68 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 15 G 8.27 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 16 K 7.69 4.01 0.00 1.45 1.51 0.00 1.64 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.58 1.47 7.81 17 V 6.98 2.81 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 0.00 0.00 -0.03 0.00 0.00 0.21 0.00 0.00 18 E 7.49 3.93 0.00 2.05 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 2.29 2.27 0.00 19 A 7.41 4.16 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.88 4.65 0.00 2.72 2.52 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 0.00 0.00 0.00 0.00 21 I 7.80 3.57 1.79 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.25 0.89 0.00 0.00 22 A 7.39 4.30 1.30 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 0.00 0.00 23 G 8.53 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 24 H 8.32 4.15 0.00 3.26 3.22 0.00 5.82 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 25 G 8.41 3.55 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 0.00 0.00 0.00 26 Q 8.15 3.86 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 27 E 8.04 3.86 0.00 2.10 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 2.25 2.36 0.00 28 V 7.86 3.51 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 1.02 0.00 0.00 0.96 0.00 0.00 29 L 7.76 3.39 0.00 1.40 0.90 0.79 0.41 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 30 I 7.72 3.65 1.97 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 1.36 0.94 0.87 0.00 0.00 31 R 8.03 3.82 0.00 1.89 2.08 0.00 3.02 0.00 0.00 2.90 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 32 L 7.84 3.92 0.00 1.76 1.44 1.07 0.85 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 33 F 8.29 4.64 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 34 T 7.98 4.15 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 1.24 0.00 0.00 35 G 8.15 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 0.00 0.00 0.00 36 H 8.13 4.71 0.00 3.06 2.90 0.00 5.63 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 37 P 0.00 4.61 0.00 2.15 2.10 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 38 E 8.29 4.11 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.54 0.00 39 T 8.09 3.84 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 40 L 7.76 3.42 0.00 1.49 1.78 0.04 0.82 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 41 E 7.74 4.09 0.00 2.27 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 2.39 2.55 0.00 42 K 8.05 4.45 0.00 2.01 1.78 0.00 1.89 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.79 1.98 7.81 43 F 8.04 4.63 0.00 3.34 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 44 D 8.75 4.40 0.00 2.68 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 45 K 7.83 4.17 0.00 1.63 1.75 0.00 1.41 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.99 0.21 7.81 46 F 7.86 5.09 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.73 3.95 0.00 1.92 1.91 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.50 1.66 7.81 48 H 8.16 4.40 0.00 3.26 3.44 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.67 4.22 0.00 1.67 1.60 0.85 0.64 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 50 K 9.73 4.45 0.00 1.68 1.83 0.00 1.65 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.49 7.81 51 T 7.51 4.74 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 1.21 0.00 0.00 52 E 8.62 3.92 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 2.35 2.35 0.00 53 A 8.01 3.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.11 3.93 0.00 2.10 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 2.36 2.36 0.00 55 M 8.04 4.15 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 56 K 8.17 3.97 0.00 1.85 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.58 7.81 57 A 7.89 4.38 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 S 7.60 4.30 0.00 3.97 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 59 E 8.75 3.97 0.00 2.14 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 2.40 2.45 0.00 60 D 8.17 4.49 0.00 2.95 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.12 3.49 0.00 1.33 1.63 0.69 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.93 3.83 0.00 1.85 1.94 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.42 7.81 63 K 8.46 3.90 0.00 1.97 2.05 0.00 1.73 0.00 0.00 1.61 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.50 7.81 64 H 8.76 4.29 0.00 3.67 3.58 0.00 5.86 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 65 G 8.47 3.72 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 0.00 0.00 0.00 66 T 7.93 3.88 4.43 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 1.22 0.00 0.00 67 V 7.77 3.60 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 1.09 0.00 0.00 1.00 0.00 0.00 68 V 7.93 3.67 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 0.86 0.00 0.00 1.04 0.00 0.00 69 L 8.11 4.24 0.00 1.80 1.97 0.93 0.69 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 70 T 8.22 3.98 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 71 A 8.16 3.98 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 72 L 8.21 3.69 0.00 1.64 1.76 0.43 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.40 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 0.00 0.00 0.00 74 G 7.70 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 75 I 7.32 3.77 1.63 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.46 0.62 0.00 0.00 76 L 7.77 3.93 0.00 1.28 1.55 -0.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.66 3.99 0.00 1.83 1.79 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.48 7.81 78 K 7.86 3.94 0.00 1.79 1.81 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.62 1.58 7.81 79 K 8.16 2.00 0.00 1.06 0.74 0.00 1.39 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.52 1.00 7.81 80 G 7.61 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 0.00 0.00 0.00 81 H 7.43 4.57 0.00 3.15 3.21 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.35 5.16 0.00 3.29 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.59 3.97 0.00 2.13 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 2.40 2.48 0.00 84 A 7.99 4.04 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 85 E 8.07 4.12 0.00 2.28 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 2.39 2.43 0.00 86 L 8.46 4.13 0.00 1.88 1.72 0.83 0.50 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 87 K 8.13 3.87 0.00 2.12 1.82 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.70 7.81 88 P 0.00 4.34 0.00 2.33 2.31 0.00 3.84 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.13 0.00 89 L 8.00 4.10 0.00 2.12 1.92 1.06 0.61 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 90 A 8.53 4.13 1.45 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 0.00 0.00 91 Q 8.04 3.91 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.66 0.00 92 S 8.23 3.99 0.00 3.99 4.19 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 0.00 0.00 0.00 0.00 93 H 8.51 4.14 0.00 3.48 3.54 0.00 5.81 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 94 A 8.11 2.58 0.30 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 0.00 0.00 95 T 7.19 3.85 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 96 K 7.57 3.95 0.00 1.51 1.45 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.23 1.33 7.81 97 H 7.88 4.54 0.00 3.05 3.16 0.00 5.86 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.45 3.72 0.00 1.92 2.00 0.00 1.91 0.00 0.00 0.73 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.36 7.81 99 I 7.79 4.18 2.03 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 1.49 0.98 1.08 0.00 0.00 100 P 0.00 4.61 0.00 1.90 1.83 0.00 2.20 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.78 0.00 101 I 8.80 3.50 1.68 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.17 0.88 0.00 0.00 102 K 8.00 3.68 0.00 1.79 1.69 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 0.41 7.81 103 Y 8.07 4.05 0.00 3.19 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 0.00 104 L 7.86 4.09 0.00 1.75 1.73 0.61 0.92 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 0.00 105 E 7.98 3.92 0.00 1.98 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 2.37 2.38 0.00 106 F 7.97 4.48 0.00 3.20 2.80 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 0.00 107 I 8.23 3.84 2.01 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 1.60 1.66 1.10 0.00 0.00 108 S 8.24 4.22 0.00 4.22 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 0.00 109 D 8.48 4.46 0.00 2.99 2.82 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 0.00 110 A 8.26 4.04 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 0.00 111 I 8.15 3.70 2.14 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.86 1.09 0.00 0.00 112 I 7.94 3.88 2.16 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.03 1.14 0.00 0.00 113 H 8.41 4.08 0.00 3.32 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.88 3.55 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.99 0.00 0.00 115 L 8.01 3.81 0.00 1.28 0.30 0.82 1.16 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 0.00 116 H 8.06 4.43 0.00 3.54 3.66 0.00 5.96 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.12 4.10 0.00 3.85 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 0.00 118 K 7.82 4.21 0.00 1.37 1.44 0.00 1.54 0.00 0.00 1.29 0.00 0.00 2.55 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.22 1.42 7.81 119 H 8.15 5.04 0.00 3.19 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.36 0.00 2.21 2.23 0.00 3.67 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 2.06 1.92 0.00 121 G 8.13 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 0.00 122 D 8.15 5.04 0.00 2.71 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 0.00 123 F 8.03 4.88 0.00 3.04 3.07 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 0.00 124 G 7.98 3.86 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 0.00 125 A 8.47 3.89 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.88 4.15 0.00 2.82 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.74 3.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.88 2.85 0.00 1.14 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 129 G 8.17 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.81 3.82 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 0.00 131 M 8.21 4.01 0.00 2.57 2.48 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.95 0.00 132 T 8.25 3.92 4.36 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 1.26 0.00 0.00 133 K 8.18 3.87 0.00 1.76 1.71 0.00 1.58 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.55 7.81 134 A 7.99 3.86 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.13 4.12 0.00 1.91 1.83 1.03 0.82 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 0.00 136 E 8.52 3.96 0.00 2.21 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 2.33 2.43 0.00 137 L 8.17 3.95 0.00 1.91 2.01 0.99 1.03 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 0.00 138 F 8.14 4.17 0.00 3.16 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.18 3.44 0.00 1.98 2.01 0.00 3.11 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 140 N 8.49 4.25 0.00 2.94 2.90 0.00 0.00 7.23 8.09 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 0.00 141 D 8.25 4.33 0.00 2.83 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 0.00 142 I 7.54 3.47 1.42 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 1.01 0.02 0.24 0.00 0.00 143 A 8.09 3.72 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.80 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.80 3.97 0.00 1.96 1.94 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.63 7.81 146 Y 8.58 4.22 0.00 3.12 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 0.00 147 K 8.53 3.95 0.00 1.93 1.97 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 8.14 3.94 0.00 2.01 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 2.35 2.39 0.00 149 L 7.91 4.23 0.00 1.81 1.69 0.84 0.85 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 0.00 150 G 7.82 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 0.00 151 F 8.11 4.35 0.00 2.70 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 0.00 152 Q 7.98 3.90 0.00 1.82 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.42 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00