NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 V 3.9281 8.0544 120.3961 62.8049 31.7064 174.8598 12 S 4.2140 8.5743 123.6969 56.0897 61.9302 172.5537 13 F 5.2215 8.5887 131.0485 55.1920 41.1901 174.5771 14 S 4.5630 8.0237 123.6404 57.5895 65.2779 174.4130 15 E 3.9358 8.5149 122.0572 59.2407 29.3076 178.6145 16 E 3.8615 7.9507 118.2575 59.3866 29.5735 178.9853 17 Q 3.6855 7.6740 117.9027 58.9177 28.6937 178.5115 18 E 4.0530 7.8222 119.9071 59.5140 29.6228 178.8320 19 A 4.0246 7.9039 120.6433 54.8708 18.3630 179.4754 20 L 3.9421 7.9334 117.6872 57.9687 41.6418 179.9966 21 V 2.9052 7.3770 117.4969 65.6932 31.4129 177.8676 22 L 4.1156 8.0126 119.1494 57.9644 41.7324 179.8546 23 K 4.1500 8.3155 118.7459 59.6688 32.6474 179.4338 24 S 4.4105 8.2367 115.3455 61.2228 63.0355 176.2063 25 W 4.8679 9.0252 132.3392 60.3613 29.9968 177.6268 26 A 3.7623 8.4014 120.6183 55.1676 17.4428 179.7770 27 I 3.7187 7.1199 116.5612 64.4681 37.6627 178.2350 28 L 3.9981 7.7426 119.3865 57.5168 41.1453 179.7242 29 K 3.3636 7.3018 118.0322 59.0928 32.0006 179.2525 30 K 3.9897 7.1740 116.1393 58.3989 32.5821 176.7331 31 D 4.7458 7.8313 119.7039 52.2224 41.6914 177.1284 32 S 4.1213 8.0828 115.2044 60.8274 62.9718 175.1315 33 A 3.9365 7.7649 124.2707 55.2439 18.3820 179.2055 34 N 4.2968 7.9720 114.5626 56.4582 38.6053 177.7147 35 I 3.7168 7.7452 121.0504 64.1633 37.2154 178.1457 36 A 3.9996 8.0080 121.6859 55.1183 18.0587 179.5198 37 L 3.8833 7.6736 118.3753 58.4015 42.2186 179.2650 38 R 3.9247 7.8106 117.5923 59.2250 29.9759 178.8420 39 F 4.2160 8.5400 120.4476 61.3002 39.4727 177.0080 40 L 3.6769 8.3852 118.9510 57.9834 41.4982 179.7676 41 L 4.0969 8.2524 118.7369 57.1448 41.4390 179.6517 42 K 3.9330 7.9022 120.1331 59.4931 32.2170 178.7681 43 I 3.6257 7.3552 120.0784 64.4978 36.7986 178.1857 44 F 4.2871 8.0777 120.0580 61.1355 39.2095 176.4324 45 E 3.9002 8.1557 118.2660 59.1297 29.5323 178.8158 46 V 3.8584 7.6035 116.6738 64.6490 33.1712 176.6757 47 A 4.5421 8.3436 123.5520 48.3488 19.6393 174.0502 48 P 4.1724 0.0000 0.0000 65.5671 31.4260 177.9748 49 S 4.2505 8.1060 112.2360 61.2697 62.6669 176.2066 50 A 4.0557 8.0020 124.0977 55.3817 17.7347 179.8690 51 S 4.1659 7.8971 111.8607 61.4294 62.6088 176.6337 52 Q 4.0359 7.7145 121.7076 59.0763 28.8381 177.5869 53 M 4.1597 7.7871 119.1220 59.3723 32.3680 176.7508 54 F 4.6109 7.9106 118.4966 56.8745 40.5273 173.7620 55 S 4.6197 8.5788 119.0834 58.7106 64.2434 172.1079 56 F 4.1948 8.5056 119.2064 58.2595 40.3781 176.2272 57 L 4.6362 7.9184 119.3431 53.4203 45.6084 175.6634 58 R 4.3335 8.4087 120.7498 56.2736 32.5650 172.1351 59 N 4.5183 8.4200 129.8225 53.3930 41.5352 176.5727 60 S 4.4468 8.5886 105.7649 57.7376 62.0048 173.7428 61 D 4.3435 7.7181 121.2665 56.2561 38.6990 174.3547 62 V 4.3672 7.5505 116.8115 60.4549 33.4516 173.7100 63 P 4.2911 0.0000 0.0000 64.6558 31.4969 176.0323 64 L 3.9418 7.7303 119.0735 55.2233 42.1321 175.3963 65 E 4.3539 8.2416 118.5492 56.0959 29.8790 177.1367 66 K 4.2492 7.6172 119.3406 54.9815 31.3001 174.7785 67 N 4.6808 7.5879 120.0773 51.9681 41.6515 172.8966 68 P 4.3561 0.0000 0.0000 65.5426 31.6147 179.1991 69 K 4.1324 8.2263 117.1473 59.7888 32.5449 179.1501 70 L 3.6472 7.7753 119.9913 57.4041 41.5788 179.3067 71 K 4.0242 7.6443 117.4844 59.7707 31.9337 179.5434 72 T 3.9251 7.8166 115.5342 66.9185 68.3938 176.2133 73 H 4.1688 8.3959 119.9476 59.0951 29.9131 176.9712 74 A 4.3161 8.1827 122.6658 55.6606 18.2041 179.3008 75 M 4.1270 8.2925 116.5209 58.9132 32.2779 178.4878 76 S 4.1501 8.3777 115.5048 61.6359 63.1575 176.7776 77 V 3.5928 7.8942 120.7448 66.2384 31.2859 178.1676 78 F 3.7709 8.0874 116.9510 60.1418 38.5573 178.0146 79 V 3.2976 8.0751 118.2386 66.3797 31.4332 178.0647 80 M 4.0074 8.1802 118.4692 58.6332 31.7170 179.0267 81 T 3.8248 7.7754 115.5633 66.5681 68.6809 176.2678 82 C 3.7719 7.8449 120.5162 62.4458 31.5852 175.2828 83 E 3.8823 8.3367 120.1929 59.5958 29.0522 179.3689 84 A 3.8622 8.0431 120.3825 54.7455 18.3843 179.4748 85 A 3.2121 7.7948 119.1414 55.1536 18.4589 179.4096 86 A 4.7477 7.5712 120.3697 55.0659 18.3453 179.9825 87 Q 3.8906 7.9031 116.1596 58.9349 28.7879 178.8249 88 L 3.8283 7.5658 120.0901 57.6092 41.3023 179.3342 89 R 4.4417 7.5271 118.7947 58.8536 30.1577 178.1288 90 K 4.0889 7.9397 117.9638 58.9141 32.8055 177.2639 91 A 4.4991 8.2649 119.0944 50.7683 20.0179 176.9486 92 G 4.0167 8.4436 103.5534 45.5796 0.0000 173.6116 93 K 4.4050 7.1935 115.0725 55.1454 35.4484 175.5579 94 V 3.8305 8.2055 120.6289 63.2009 31.7358 176.1178 95 T 4.6035 8.6133 119.2840 61.0954 69.1097 174.5776 96 V 3.6851 7.7679 120.8469 63.2253 32.4998 175.8224 97 R 3.8716 8.5988 124.3806 57.3770 31.2715 177.3694 98 D 4.4403 8.8106 125.3615 57.3555 40.9558 179.1506 99 T 3.8655 7.8155 110.1953 65.2255 68.9040 176.6079 100 T 3.8952 7.8876 118.5434 66.1660 68.4006 176.4608 101 L 3.9960 7.9575 120.9035 57.6358 41.6503 179.6371 102 K 3.9551 8.0011 118.3663 59.3670 31.9987 179.4326 103 R 3.8954 7.9285 118.6412 59.3895 30.0823 178.4619 104 L 4.1822 8.2201 119.0655 57.7693 41.6427 179.3871 105 G 3.8580 8.3457 105.6043 48.1803 0.0000 175.4553 106 A 4.0498 8.1063 123.6522 54.8043 18.4347 179.8635 107 T 3.9033 8.0416 114.1717 67.3182 68.6036 176.7462 108 H 4.1957 8.2034 118.0648 58.7272 28.8384 177.7205 109 L 4.0262 8.1355 122.3430 57.9082 41.6811 178.9178 110 K 3.9222 7.9560 118.8873 59.3239 32.2270 177.4795 111 Y 4.2711 8.0296 113.9804 56.8182 38.4170 175.3351 112 G 3.7202 7.7765 107.2348 46.4964 0.0000 175.0053 113 V 3.5332 7.9735 119.6854 61.8913 32.1150 175.7908 114 G 4.3099 8.4770 114.9485 43.0598 0.0000 172.5520 115 D 4.6427 8.7700 118.4430 57.4934 40.6241 178.6993 116 A 4.1311 8.0834 120.5585 55.7188 18.3786 179.2155 117 H 4.0951 7.9874 113.8920 59.1729 28.8689 177.9416 118 F 4.4660 8.1256 119.2509 60.6918 38.6709 177.6737 119 E 4.1618 8.7042 118.4589 59.1972 29.2260 179.3228 120 V 3.6375 8.1361 118.6557 66.1966 31.5414 178.2617 121 V 3.6313 7.9842 117.8517 65.7834 31.3760 177.7434 122 K 3.1064 8.1585 119.3885 59.2533 31.9841 178.4883 123 F 4.0799 8.4194 120.6240 61.3645 39.3363 177.0175 124 A 3.8888 8.4159 120.5499 54.6743 18.1562 179.4258 125 L 3.9218 8.3407 119.5468 58.4342 42.0938 179.3049 126 L 3.8970 7.7665 118.9111 57.3959 41.4345 178.9222 127 D 3.9038 7.6682 118.0554 57.5879 41.1383 178.3301 128 T 3.8059 7.8429 116.1195 66.7073 68.4748 176.6320 129 I 3.5911 7.4601 121.2916 64.1499 36.9520 177.9872 130 K 2.6087 6.8952 118.9616 59.4518 31.7616 177.9864 131 E 3.9304 7.8226 117.2409 59.3601 29.4580 178.7902 132 E 4.1821 8.0530 116.8004 56.9556 30.1576 177.2736 133 V 4.2505 6.9659 111.4902 59.0167 33.3686 174.2278 134 P 4.3261 0.0000 0.0000 62.6091 31.5446 177.3807 135 A 4.0879 8.8462 124.5882 55.2596 18.2650 178.8703 136 D 4.4892 7.9794 112.2618 54.2169 40.2841 177.0657 137 M 4.2119 8.1202 119.9577 57.6122 32.6032 176.3390 138 W 4.5540 7.6591 127.8626 57.2252 31.7397 175.4430 139 S 4.3191 6.6017 116.7475 55.8199 65.9746 174.3174 140 P 4.0761 0.0000 0.0000 65.7149 30.9000 178.8700 141 A 3.8455 7.6227 119.1267 55.1319 18.4302 179.1247 142 M 3.8585 7.4487 116.2735 58.5103 32.3440 178.2079 143 K 3.9238 7.1357 119.6500 59.8936 32.2899 178.9780 144 S 4.2413 8.2846 115.1150 61.1367 62.5268 176.5918 145 A 4.0384 8.0893 123.6870 55.1400 18.2254 179.6189 146 W 4.2109 8.2006 117.3515 60.1458 29.0709 179.0699 147 S 4.3199 8.2568 114.9176 61.5316 62.3109 176.3773 148 E 4.0442 8.6239 121.2550 59.5246 29.3359 179.1625 149 A 3.7802 7.7956 120.4724 55.3609 18.4191 179.0619 150 Y 3.8981 8.2312 117.7812 61.0221 38.9582 177.9419 151 D 4.4088 8.7106 120.2526 57.7855 40.9424 178.6006 152 H 4.0648 8.4005 116.7624 58.4065 28.6301 177.7131 153 L 3.7574 7.8001 122.2240 58.1034 41.9711 179.0554 154 V 2.9550 7.6674 118.3046 65.7849 31.3109 177.7697 155 A 3.8140 7.8515 120.1147 55.0280 17.9520 179.5133 156 A 3.8722 7.4653 117.8355 55.2957 18.6105 179.5348 157 I 3.7494 7.5671 118.3541 64.5633 37.1508 178.8668 158 K 3.9980 7.9354 119.2486 59.1208 31.5901 179.0451 159 Q 3.9748 7.7593 119.3891 58.9835 28.9972 177.0014 160 E 4.3168 7.7010 116.3377 57.1283 29.7238 176.6288 161 M 4.5158 7.8920 117.9982 55.0343 32.4708 175.7909 162 K 4.7006 7.4483 116.9207 53.6566 36.4268 174.1464 163 P 4.0367 0.0000 0.0000 63.8496 31.6245 176.8350 164 A 3.7139 7.6425 123.5888 50.8333 16.9979 176.8802 165 E 4.1377 8.7756 120.6211 57.4300 29.4763 177.3876 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 11 V 8.05 3.93 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 0.91 0.00 0.00 1.01 0.00 0.00 12 S 8.57 4.21 0.00 3.95 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 13 F 8.59 5.22 0.00 3.01 2.86 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 14 S 8.02 4.56 0.00 4.12 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 15 E 8.51 3.94 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 16 E 7.95 3.86 0.00 1.97 1.88 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 2.34 2.41 0.00 17 Q 7.67 3.69 0.00 1.25 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 18 E 7.82 4.05 0.00 2.22 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 2.33 2.40 0.00 19 A 7.90 4.02 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 20 L 7.93 3.94 0.00 1.82 1.71 0.83 0.60 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 21 V 7.38 2.91 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 -0.07 0.00 0.00 0.28 0.00 0.00 22 L 8.01 4.12 0.00 1.75 1.78 0.94 1.18 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 23 K 8.32 4.15 0.00 2.05 2.18 0.00 1.35 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.74 1.53 7.81 24 S 8.24 4.41 0.00 4.50 4.55 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 25 W 9.03 4.87 0.00 3.91 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.40 3.76 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 27 I 7.12 3.72 2.10 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 1.53 0.59 0.91 0.00 0.00 28 L 7.74 4.00 0.00 1.64 1.53 0.82 0.89 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 29 K 7.30 3.36 0.00 1.31 1.46 0.00 1.48 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 0.21 7.81 30 K 7.17 3.99 0.00 1.83 1.80 0.00 1.61 0.00 0.00 1.58 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.35 7.81 31 D 7.83 4.75 0.00 2.64 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.08 4.12 0.00 4.00 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 33 A 7.76 3.94 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 34 N 7.97 4.30 0.00 2.96 2.84 0.00 0.00 7.09 6.91 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 35 I 7.75 3.72 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.81 0.76 0.00 0.00 36 A 8.01 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 37 L 7.67 3.88 0.00 1.76 1.85 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.81 3.92 0.00 2.06 1.98 0.00 3.16 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 39 F 8.54 4.22 0.00 3.07 3.34 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 40 L 8.39 3.68 0.00 1.78 1.74 0.88 0.48 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 41 L 8.25 4.10 0.00 1.73 1.76 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.90 3.93 0.00 1.97 1.92 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.51 7.81 43 I 7.36 3.63 1.80 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 -0.09 0.87 0.00 0.00 44 F 8.08 4.29 0.00 2.86 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 45 E 8.16 3.90 0.00 2.06 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 2.30 2.28 0.00 46 V 7.60 3.86 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 0.77 0.00 0.00 1.11 0.00 0.00 47 A 8.34 4.54 1.18 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 48 P 0.00 4.17 0.00 2.03 1.69 0.00 3.47 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.71 0.00 49 S 8.11 4.25 0.00 4.07 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 50 A 8.00 4.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.90 4.17 0.00 4.26 3.88 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 52 Q 7.71 4.04 0.00 2.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 53 M 7.79 4.16 0.00 1.78 1.97 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.56 0.00 54 F 7.91 4.61 0.00 3.09 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 55 S 8.58 4.62 0.00 3.92 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 56 F 8.51 4.19 0.00 3.02 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 57 L 7.92 4.64 0.00 1.75 1.53 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.41 4.33 0.00 1.77 1.79 0.00 3.32 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 59 N 8.42 4.52 0.00 2.81 2.49 0.00 0.00 7.22 7.63 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 60 S 8.59 4.45 0.00 4.01 3.88 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 61 D 7.72 4.34 0.00 2.83 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 62 V 7.55 4.37 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 0.85 0.00 0.00 0.98 0.00 0.00 63 P 0.00 4.29 0.00 2.08 2.10 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 64 L 7.73 3.94 0.00 1.56 1.62 0.89 0.86 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 65 E 8.24 4.35 0.00 1.77 1.75 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 1.97 1.81 0.00 66 K 7.62 4.25 0.00 1.72 1.70 0.00 1.80 0.00 0.00 1.62 0.00 0.00 3.12 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.39 7.81 67 N 7.59 4.68 0.00 2.76 2.60 0.00 0.00 7.07 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 68 P 0.00 4.36 0.00 2.22 2.10 0.00 3.67 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 69 K 8.23 4.13 0.00 2.07 2.14 0.00 1.72 0.00 0.00 1.95 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.63 1.81 7.81 70 L 7.78 3.65 0.00 1.73 1.55 0.73 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 71 K 7.64 4.02 0.00 2.08 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.48 7.81 72 T 7.82 3.93 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 73 H 8.40 4.17 0.00 3.50 3.46 0.00 5.60 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 74 A 8.18 4.32 1.64 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 75 M 8.29 4.13 0.00 2.38 2.17 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.74 0.00 76 S 8.38 4.15 0.00 4.08 3.93 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 77 V 7.89 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 1.08 0.00 0.00 1.09 0.00 0.00 78 F 8.09 3.77 0.00 2.68 1.81 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 79 V 8.08 3.30 2.22 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 1.17 0.00 0.00 1.17 0.00 0.00 80 M 8.18 4.01 0.00 2.05 2.16 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 2.58 0.00 81 T 7.78 3.82 4.50 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 0.00 0.00 0.00 1.48 0.00 0.00 82 C 7.84 3.77 0.00 2.79 2.90 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 0.00 0.00 0.00 83 E 8.34 3.88 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 84 A 8.04 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 85 A 7.79 3.21 1.16 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 86 A 7.57 4.75 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 87 Q 7.90 3.89 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 88 L 7.57 3.83 0.00 0.99 1.28 0.28 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.53 4.44 0.00 2.05 2.20 0.00 3.32 0.00 0.00 3.03 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 90 K 7.94 4.09 0.00 1.80 1.86 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 91 A 8.26 4.50 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 92 G 8.44 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 93 K 7.19 4.41 0.00 1.86 1.72 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.33 7.81 94 V 8.21 3.83 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 0.82 0.00 0.00 0.84 0.00 0.00 95 T 8.61 4.60 4.21 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 1.25 0.00 0.00 96 V 7.77 3.69 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 0.76 0.00 0.00 0.88 0.00 0.00 97 R 8.60 3.87 0.00 1.95 1.82 0.00 3.28 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 98 D 8.81 4.44 0.00 2.75 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 99 T 7.82 3.87 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 1.21 0.00 0.00 100 T 7.89 3.90 4.38 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 1.22 0.00 0.00 101 L 7.96 4.00 0.00 1.78 1.70 0.93 1.17 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 0.00 102 K 8.00 3.96 0.00 2.01 1.87 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.66 7.81 103 R 7.93 3.90 0.00 2.08 2.08 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 104 L 8.22 4.18 0.00 1.77 1.80 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.35 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 0.00 106 A 8.11 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.04 3.90 4.29 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 1.11 0.00 0.00 108 H 8.20 4.20 0.00 3.42 3.46 0.00 5.81 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 0.00 109 L 8.14 4.03 0.00 1.93 1.70 0.96 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 110 K 7.96 3.92 0.00 2.00 1.99 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.23 1.39 7.81 111 Y 8.03 4.27 0.00 2.80 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 0.00 112 G 7.78 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 0.00 113 V 7.97 3.53 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 -0.04 0.00 0.00 0.85 0.00 0.00 114 G 8.48 4.31 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 0.00 115 D 8.77 4.64 0.00 2.80 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 0.00 116 A 8.08 4.13 1.23 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 0.00 0.00 0.00 117 H 7.99 4.10 0.00 3.16 3.27 0.00 5.82 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 0.00 118 F 8.13 4.47 0.00 3.43 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 0.00 119 E 8.70 4.16 0.00 2.32 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 2.44 2.54 0.00 120 V 8.14 3.64 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.96 0.00 0.00 121 V 7.98 3.63 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 1.29 0.00 0.00 1.07 0.00 0.00 122 K 8.16 3.11 0.00 1.61 1.97 0.00 1.99 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.06 7.81 123 F 8.42 4.08 0.00 3.19 3.22 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 0.00 124 A 8.42 3.89 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 0.00 125 L 8.34 3.92 0.00 1.41 1.56 -0.31 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.77 3.90 0.00 1.62 1.76 0.99 0.87 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 0.00 127 D 7.67 3.90 0.00 2.17 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 0.00 0.00 0.00 0.00 128 T 7.84 3.81 4.57 0.00 0.00 0.00 0.00 0.00 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 0.00 129 I 7.46 3.59 1.86 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 1.09 0.79 1.15 0.00 0.00 130 K 6.90 2.61 0.00 0.79 1.23 0.00 1.46 0.00 0.00 1.14 0.00 0.00 2.67 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.80 0.21 7.81 131 E 7.82 3.93 0.00 1.95 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 2.31 2.39 0.00 132 E 8.05 4.18 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.41 0.00 133 V 6.97 4.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.19 0.00 0.00 134 P 0.00 4.33 0.00 2.22 2.01 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 135 A 8.85 4.09 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 0.00 136 D 7.98 4.49 0.00 2.83 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 0.00 137 M 8.12 4.21 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.62 0.00 138 W 7.66 4.55 0.00 3.33 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 0.00 139 S 6.60 4.32 0.00 3.88 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 0.00 140 P 0.00 4.08 0.00 2.10 2.12 0.00 3.48 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 2.16 0.00 141 A 7.62 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 M 7.45 3.86 0.00 1.46 1.86 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.83 0.00 143 K 7.14 3.92 0.00 1.57 1.84 0.00 1.99 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.59 1.89 7.81 144 S 8.28 4.24 0.00 3.93 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 0.00 145 A 8.09 4.04 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 0.00 146 W 8.20 4.21 0.00 3.63 3.26 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 0.00 147 S 8.26 4.32 0.00 4.15 4.03 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 0.00 148 E 8.62 4.04 0.00 2.47 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 2.45 2.63 0.00 149 A 7.80 3.78 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 0.00 150 Y 8.23 3.90 0.00 3.28 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 0.00 151 D 8.71 4.41 0.00 3.07 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 0.00 152 H 8.40 4.06 0.00 3.33 3.26 0.00 5.81 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 0.00 153 L 7.80 3.76 0.00 1.68 1.60 0.82 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.67 2.96 1.69 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 0.09 0.00 0.00 0.04 0.00 0.00 155 A 7.85 3.81 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 0.00 156 A 7.47 3.87 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 I 7.57 3.75 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.64 0.94 0.00 0.00 158 K 7.94 4.00 0.00 1.94 1.80 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.43 1.24 7.81 159 Q 7.76 3.97 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 160 E 7.70 4.32 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 161 M 7.89 4.52 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.78 0.00 162 K 7.45 4.70 0.00 1.68 1.65 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.47 7.81 163 P 0.00 4.04 0.00 2.04 2.01 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 164 A 7.64 3.71 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 0.00 165 E 8.78 4.14 0.00 1.94 1.88 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 2.47 2.37 0.00