NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2407 8.3049 118.1927 53.5139 32.8724 173.6071 2 L 3.1944 8.0068 118.8843 54.2978 39.9680 172.8648 3 T 4.0072 8.7406 114.8025 63.7142 70.4648 174.8459 4 D 4.7509 7.6159 128.5317 50.3665 41.5847 173.7912 5 P 4.2650 0.0000 0.0000 66.1319 31.2302 177.5298 6 I 3.7207 8.0180 118.1047 63.5803 36.6493 177.6425 7 A 3.9557 8.6757 122.5685 55.8929 18.2366 178.2414 8 D 4.3951 8.1792 117.2393 56.6678 41.1142 177.8301 9 M 3.5778 8.8908 116.3442 58.6298 32.6784 179.0164 10 L 3.7165 8.5895 118.8857 58.1590 41.9096 180.0702 11 T 3.8587 7.5167 114.9853 66.3899 68.4724 176.8866 12 R 4.2321 8.4380 120.8803 60.0779 30.1630 178.3172 13 I 3.5342 7.9449 118.6416 64.7572 36.9792 177.8500 14 R 3.7774 8.0726 118.6690 60.0718 29.7615 178.5596 15 N 4.3778 8.8701 115.2590 56.1013 38.4790 176.9673 16 A 4.1476 8.2754 122.7904 55.4158 18.4822 179.8251 17 T 4.2101 7.8131 107.8488 64.8956 68.7708 176.9743 18 R 3.8478 7.3053 118.6378 58.2802 30.1264 178.0694 19 V 4.2512 6.9129 108.7000 59.1253 33.0187 171.5153 20 Y 3.2103 8.0072 123.9812 57.1562 35.8091 168.7081 21 K 4.5622 9.8214 126.0148 54.4290 35.3436 175.3311 22 E 3.9496 8.2269 124.8939 58.7669 29.8509 177.7277 23 S 5.2308 7.6212 113.2378 58.1300 66.8723 172.0060 24 T 4.5588 8.3958 114.2262 62.8955 73.3097 173.1318 25 D 5.8500 8.7494 123.5050 50.8218 41.6154 175.1063 26 V 3.6381 8.0359 121.9739 60.9937 32.5679 174.1127 27 P 3.3164 0.0000 0.0000 62.6264 31.5671 176.0744 28 A 4.3454 8.3441 125.7558 52.2069 19.4050 177.1622 29 S 4.4939 8.3671 110.7553 56.0302 65.5202 176.5474 30 R 3.9135 8.6781 122.9786 59.8136 29.4085 178.3340 31 F 4.4302 8.1344 119.5561 60.7700 39.6149 177.5163 32 K 3.7564 8.0828 118.1868 59.9139 31.7719 178.0137 33 E 3.5785 9.2385 118.7711 58.2572 28.8835 179.7024 34 E 3.7779 8.0707 122.2208 59.4457 30.3375 179.7453 35 I 3.6048 7.5635 120.1125 64.3588 37.0900 178.2779 36 L 3.8596 7.6507 119.8423 57.8534 41.1566 179.4644 37 R 4.4305 7.8982 113.7029 57.6896 30.0453 176.6864 38 I 4.5134 8.0637 118.1517 62.5412 40.1503 177.6060 39 L 4.1114 7.9506 119.6411 57.8511 41.9814 179.4634 40 A 4.2446 8.2038 120.8800 55.0805 18.7232 179.3810 41 R 3.9787 8.1288 113.7832 58.5536 30.1735 176.5680 42 E 4.4841 8.2596 115.0229 55.9788 30.3498 176.1315 43 G 3.7555 8.3050 107.0480 46.3865 0.0000 174.7001 44 F 4.4851 9.0631 121.2024 57.2471 40.0921 175.9225 45 I 4.7167 7.4390 111.6240 58.3594 40.4056 175.5614 46 K 4.1210 8.8305 120.6596 58.5939 32.5654 177.7653 47 G 3.8892 7.3972 105.5545 45.5611 0.0000 171.1366 48 Y 5.4931 7.6113 117.4481 56.3938 40.6836 173.5422 49 E 4.8199 9.3189 119.2768 54.5174 33.5851 174.7710 50 R 4.6923 8.5208 118.5891 56.1032 31.1473 177.1996 51 V 4.4036 8.0483 115.6843 61.4800 36.0515 173.8273 52 D 4.8946 8.4518 120.2429 54.9480 44.6569 176.0720 53 V 4.1707 8.1433 122.1451 61.1902 31.7623 173.9822 54 D 4.2963 8.2331 126.7256 54.5221 36.7629 176.1750 55 G 3.8941 7.9772 104.1181 45.6863 0.0000 173.0173 56 K 4.3923 7.5172 120.0333 54.1851 32.7117 174.1105 57 P 5.0880 0.0000 0.0000 62.0401 31.6112 175.0380 58 Y 5.0063 8.3946 126.1018 56.9703 41.8007 173.9919 59 L 5.0876 8.8571 120.5899 53.3123 44.8136 176.5715 60 R 3.9501 8.7326 124.2312 56.3900 31.4057 176.2914 61 V 4.6281 8.4422 125.0445 61.2317 34.1827 173.8937 62 Y 4.9613 8.9819 127.2841 57.0028 39.0114 175.8866 63 L 4.6085 8.4992 124.5215 54.2254 43.4768 176.2978 64 K 4.6395 8.0271 120.5458 55.1182 35.4073 174.4776 65 Y 4.8390 8.6893 123.3146 56.5226 42.2424 174.2011 66 G 4.0750 8.7629 109.9211 44.5698 0.0000 171.6714 67 P 4.5340 0.0000 0.0000 61.4955 32.6448 175.2480 68 R 3.9399 8.2908 120.4625 57.2620 30.8426 175.1408 69 R 4.7746 8.4965 117.8298 54.6095 34.8042 175.4000 70 Q 4.2577 8.7141 120.7324 56.0579 30.6849 176.2230 71 G 3.8237 8.5431 108.9694 44.1896 0.0000 171.4829 72 P 4.3394 0.0000 0.0000 62.8451 32.6795 175.7562 73 D 4.3259 8.6536 117.8211 55.0623 39.2634 172.7132 74 P 4.5768 0.0000 0.0000 63.1748 31.7559 176.9237 75 R 4.1635 7.7012 119.0522 55.8322 30.3430 175.0559 76 P 4.6204 0.0000 0.0000 62.0853 32.1966 175.6205 77 E 4.3474 8.7966 121.7902 56.7011 31.1421 175.1245 78 Q 4.9615 8.5442 121.7509 54.6469 29.9908 176.3838 79 V 3.7010 8.0154 121.7895 64.9763 32.4063 175.9689 80 I 4.6262 7.5408 120.7393 59.6249 37.4042 174.8034 81 H 4.3526 8.6345 122.0005 58.2119 29.2267 175.6726 82 H 4.3945 7.6839 118.5886 54.0842 32.8763 172.4848 83 I 4.2427 7.3847 124.1997 60.4404 39.5337 173.0488 84 R 4.4813 8.3005 129.8522 54.0894 33.1045 174.5177 85 R 4.0116 8.7271 126.6085 56.6106 30.7862 176.5327 86 I 4.3460 7.7012 125.4574 63.1591 38.4573 178.7227 87 S 3.5436 7.8470 108.1517 60.9612 59.6246 172.4205 88 K 4.3781 7.3458 127.2066 54.3822 33.4374 176.5227 89 P 4.2641 0.0000 0.0000 65.4185 31.4143 177.4079 90 G 3.9332 7.8026 105.8484 44.4809 0.0000 173.8631 91 R 4.7875 6.9945 119.7256 55.4590 32.3227 173.4944 92 R 3.9181 8.0792 120.4531 55.8278 30.7680 176.1419 93 V 4.1855 7.8983 120.5824 61.3092 34.1643 174.0223 94 Y 5.1402 8.1836 124.0352 56.7288 41.9175 175.1313 95 V 4.6066 8.0291 112.2446 60.4006 36.8745 175.1436 96 G 4.1745 10.5319 115.7457 44.9603 0.0000 174.9153 97 V 3.7393 8.2095 118.2921 64.2140 31.7556 178.7342 98 K 4.0871 7.9813 118.6532 58.7118 32.0389 177.3702 99 E 4.3008 7.7516 116.3322 56.6820 29.7554 176.7820 100 I 3.9318 7.3103 121.4997 60.2010 37.6170 174.4530 101 P 4.4391 0.0000 0.0000 63.0416 31.8205 176.7683 102 R 4.5627 8.0816 119.0059 53.6308 29.9701 175.2005 103 V 3.5705 7.7977 118.8027 64.9356 32.2336 175.5338 104 R 3.0898 9.4111 124.7275 56.7410 29.1873 175.9018 105 R 3.6418 8.1866 110.0625 56.6257 27.4078 177.5376 106 G 4.1309 8.4666 109.5982 46.3146 0.0000 174.0571 107 L 4.2126 7.8756 117.3562 55.9876 41.5791 176.2973 108 G 4.5487 7.6616 105.1602 44.4732 0.0000 171.7284 109 I 4.8986 8.9520 119.2166 59.0988 39.8385 174.2239 110 A 4.8735 8.5318 129.9658 48.4361 19.3194 174.9969 111 I 4.0222 7.9323 121.5450 61.9583 38.8363 174.7344 112 L 4.8055 7.7604 120.5828 55.0968 43.0634 174.4171 113 S 4.6927 8.7120 118.0543 58.8892 63.8925 172.6201 114 T 4.5634 7.9272 112.9527 60.6884 71.4083 173.8400 115 S 4.1758 8.8283 115.9709 60.5538 63.6435 175.2147 116 K 4.3221 7.8592 121.3434 54.6855 30.9926 176.0394 117 G 4.0529 7.7224 107.3100 45.1588 0.0000 172.2179 118 V 4.3349 7.8873 119.2116 61.9190 29.5018 176.5725 119 L 4.5761 7.9750 123.9749 53.2991 43.5109 175.2554 120 T 4.7190 8.0527 109.2948 59.7533 73.4226 173.7232 121 D 4.3957 8.0079 119.4078 57.0402 39.0103 179.1210 122 R 3.9884 7.9030 118.8411 58.7551 29.9116 178.5096 123 E 4.0113 8.1833 118.1320 59.3022 29.4011 179.4465 124 A 3.9903 8.9460 121.9049 55.1488 18.3237 179.5035 125 R 3.8265 7.5966 115.5675 59.5235 30.1883 178.3542 126 K 4.1101 8.2535 118.4017 59.5238 32.4340 178.4839 127 L 4.1818 8.2199 117.0031 54.6694 42.6474 176.7609 128 G 3.8911 8.0653 107.2047 46.1524 0.0000 172.0665 129 V 4.5314 7.2319 109.3470 60.1651 36.6544 174.0771 130 G 4.0103 8.8331 107.6039 45.3515 0.0000 171.2798 131 G 3.8642 7.7407 105.1891 44.4711 0.0000 170.8785 132 E 4.6939 8.4821 121.5937 55.8789 30.1134 175.4843 133 L 4.1359 8.7186 129.4034 55.6390 41.1661 176.3792 134 I 4.0777 8.6250 126.7681 63.4237 37.9869 175.3453 135 C 5.2937 7.4626 114.5263 57.8750 33.5289 172.2349 136 E 5.0838 8.1231 117.4915 54.5704 31.8637 175.2528 137 V 4.6757 8.6410 122.9015 60.7830 35.6798 175.2078 138 W 4.6803 8.4183 122.4860 57.5091 28.5072 174.0585 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 8.30 4.24 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 2 L 8.01 3.19 0.00 1.82 1.68 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.74 4.01 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 4 D 7.62 4.75 0.00 2.72 2.55 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 5 P 0.00 4.27 0.00 2.19 2.07 0.00 3.66 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 6 I 8.02 3.72 2.06 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.63 0.88 0.00 0.00 7 A 8.68 3.96 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 8 D 8.18 4.40 0.00 2.75 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 9 M 8.89 3.58 0.00 2.16 1.87 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 10 L 8.59 3.72 0.00 1.69 1.61 0.79 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.52 3.86 4.34 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 1.16 0.00 0.00 12 R 8.44 4.23 0.00 1.92 1.98 0.00 3.14 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 13 I 7.94 3.53 1.99 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.97 0.81 0.00 0.00 14 R 8.07 3.78 0.00 1.97 2.02 0.00 3.00 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 15 N 8.87 4.38 0.00 2.79 2.83 0.00 0.00 7.09 7.23 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 16 A 8.28 4.15 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 17 T 7.81 4.21 4.53 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 1.20 0.00 0.00 18 R 7.31 3.85 0.00 1.87 1.93 0.00 3.06 0.00 0.00 3.33 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 19 V 6.91 4.25 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.95 0.00 0.00 20 Y 8.01 3.21 0.00 2.89 2.32 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 21 K 9.82 4.56 0.00 1.68 1.70 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.39 7.81 22 E 8.23 3.95 0.00 2.21 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 2.52 2.65 0.00 23 S 7.62 5.23 0.00 3.39 3.49 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 24 T 8.40 4.56 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 1.21 0.00 0.00 25 D 8.75 5.85 0.00 2.65 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 26 V 8.04 3.64 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 0.85 0.00 0.00 0.81 0.00 0.00 27 P 0.00 3.32 0.00 1.60 1.35 0.00 3.45 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 1.72 1.19 0.00 28 A 8.34 4.35 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 29 S 8.37 4.49 0.00 3.96 3.90 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 30 R 8.68 3.91 0.00 1.93 2.06 0.00 3.21 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 31 F 8.13 4.43 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 32 K 8.08 3.76 0.00 1.90 1.70 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.48 7.81 33 E 9.24 3.58 0.00 2.06 1.85 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 2.31 2.49 0.00 34 E 8.07 3.78 0.00 2.01 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 2.55 2.65 0.00 35 I 7.56 3.60 1.66 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.33 0.70 0.00 0.00 36 L 7.65 3.86 0.00 1.23 1.12 0.54 0.64 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 37 R 7.90 4.43 0.00 1.84 2.09 0.00 3.26 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 38 I 8.06 4.51 2.03 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 1.32 0.88 0.95 0.00 0.00 39 L 7.95 4.11 0.00 1.85 1.82 0.70 0.97 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 40 A 8.20 4.24 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 41 R 8.13 3.98 0.00 1.83 2.13 0.00 3.24 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 42 E 8.26 4.48 0.00 2.37 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 2.37 2.49 0.00 43 G 8.31 3.76 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 0.00 0.00 0.00 44 F 9.06 4.49 0.00 3.12 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.44 4.72 2.15 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 1.52 0.80 0.97 0.00 0.00 46 K 8.83 4.12 0.00 1.99 1.93 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.64 7.81 47 G 7.40 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 0.00 0.00 0.00 48 Y 7.61 5.49 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 49 E 9.32 4.82 0.00 2.07 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 2.51 2.39 0.00 50 R 8.52 4.69 0.00 1.78 1.97 0.00 3.21 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 51 V 8.05 4.40 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 0.96 0.00 0.00 1.06 0.00 0.00 52 D 8.45 4.89 0.00 2.60 2.50 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 0.00 53 V 8.14 4.17 1.65 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 0.63 0.00 0.00 0.63 0.00 0.00 54 D 8.23 4.30 0.00 2.90 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 55 G 7.98 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.52 4.39 0.00 2.00 2.04 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.56 7.81 57 P 0.00 5.09 0.00 2.18 2.29 0.00 3.96 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.89 0.00 58 Y 8.39 5.01 0.00 2.89 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 59 L 8.86 5.09 0.00 1.48 1.59 0.76 1.10 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 60 R 8.73 3.95 0.00 1.89 1.49 0.00 3.17 0.00 0.00 3.03 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 61 V 8.44 4.63 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 0.99 0.00 0.00 0.99 0.00 0.00 62 Y 8.98 4.96 0.00 2.99 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 63 L 8.50 4.61 0.00 1.69 1.15 0.89 0.90 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 64 K 8.03 4.64 0.00 1.76 1.65 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.45 7.81 65 Y 8.69 4.84 0.00 2.80 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 66 G 8.76 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 0.00 0.00 0.00 67 P 0.00 4.53 0.00 2.23 2.18 0.00 3.75 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 2.05 1.95 0.00 68 R 8.29 3.94 0.00 1.80 1.90 0.00 3.14 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 69 R 8.50 4.77 0.00 1.90 1.73 0.00 3.19 0.00 0.00 3.42 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 70 Q 8.71 4.26 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.70 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 71 G 8.54 3.82 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 0.00 0.00 0.00 72 P 0.00 4.34 0.00 2.06 1.99 0.00 3.84 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 73 D 8.65 4.33 0.00 2.85 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.58 0.00 2.22 2.32 0.00 3.92 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 2.04 1.93 0.00 75 R 7.70 4.16 0.00 1.77 1.75 0.00 3.41 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 76 P 0.00 4.62 0.00 2.08 1.91 0.00 2.45 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.27 0.00 77 E 8.80 4.35 0.00 2.16 1.94 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 2.52 2.53 0.00 78 Q 8.54 4.96 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.89 0.00 0.00 0.00 0.00 0.00 2.59 2.40 0.00 79 V 8.02 3.70 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 0.81 0.00 0.00 0.94 0.00 0.00 80 I 7.54 4.63 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.95 0.73 0.00 0.00 81 H 8.63 4.35 0.00 3.00 3.39 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.68 4.39 0.00 1.82 1.31 0.00 5.82 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 83 I 7.38 4.24 1.57 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.44 0.70 0.00 0.00 84 R 8.30 4.48 0.00 1.66 1.61 0.00 3.13 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 85 R 8.73 4.01 0.00 1.81 1.78 0.00 3.36 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 86 I 7.70 4.35 2.12 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 1.19 1.04 0.91 0.00 0.00 87 S 7.85 3.54 0.00 3.97 4.30 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 88 K 7.35 4.38 0.00 1.82 1.70 0.00 1.69 0.00 0.00 1.84 0.00 0.00 3.15 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.74 1.39 7.81 89 P 0.00 4.26 0.00 2.16 2.16 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 90 G 7.80 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 0.00 0.00 0.00 91 R 6.99 4.79 0.00 1.76 1.78 0.00 3.39 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.48 0.00 92 R 8.08 3.92 0.00 1.19 1.42 0.00 3.52 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 93 V 7.90 4.19 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 1.00 0.00 0.00 0.87 0.00 0.00 94 Y 8.18 5.14 0.00 2.90 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 95 V 8.03 4.61 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 0.83 0.00 0.00 1.04 0.00 0.00 96 G 10.53 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 0.00 0.00 0.00 0.00 97 V 8.21 3.74 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 0.83 0.00 0.00 0.97 0.00 0.00 98 K 7.98 4.09 0.00 1.78 1.92 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.47 7.81 99 E 7.75 4.30 0.00 2.25 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 2.34 2.29 0.00 100 I 7.31 3.93 1.94 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 1.33 0.68 0.94 0.00 0.00 101 P 0.00 4.44 0.00 2.07 2.01 0.00 3.65 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 102 R 8.08 4.56 0.00 1.87 1.83 0.00 3.20 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 103 V 7.80 3.57 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 1.09 0.00 0.00 0.99 0.00 0.00 104 R 9.41 3.09 0.00 1.31 1.72 0.00 2.81 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.22 0.00 105 R 8.19 3.64 0.00 1.97 1.88 0.00 3.38 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 106 G 8.47 4.13 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 0.00 0.00 0.00 107 L 7.88 4.21 0.00 1.63 1.72 0.85 0.67 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 0.00 108 G 7.66 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 0.00 0.00 0.00 109 I 8.95 4.90 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.83 1.08 0.00 0.00 110 A 8.53 4.87 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 0.00 111 I 7.93 4.02 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.86 0.86 0.00 0.00 112 L 7.76 4.81 0.00 1.81 1.63 0.96 0.91 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 0.00 113 S 8.71 4.69 0.00 4.26 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 0.00 114 T 7.93 4.56 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 1.33 0.00 0.00 115 S 8.83 4.18 0.00 3.98 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 0.00 116 K 7.86 4.32 0.00 1.77 1.81 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.35 7.81 117 G 7.72 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 4.33 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 0.80 0.00 0.00 1.07 0.00 0.00 119 L 7.98 4.58 0.00 1.78 1.65 0.94 0.86 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 T 8.05 4.72 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 1.34 0.00 0.00 121 D 8.01 4.40 0.00 2.95 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 0.00 122 R 7.90 3.99 0.00 1.91 2.03 0.00 3.15 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 123 E 8.18 4.01 0.00 2.30 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 2.35 2.36 0.00 124 A 8.95 3.99 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 0.00 125 R 7.60 3.83 0.00 2.07 1.99 0.00 3.28 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 126 K 8.25 4.11 0.00 1.91 1.83 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.49 7.81 127 L 8.22 4.18 0.00 1.95 1.72 0.93 0.89 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 0.00 128 G 8.07 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 0.00 0.00 0.00 129 V 7.23 4.53 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 0.72 0.00 0.00 0.94 0.00 0.00 130 G 8.83 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 0.00 131 G 7.74 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 0.00 132 E 8.48 4.69 0.00 2.40 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 0.00 2.52 2.34 0.00 133 L 8.72 4.14 0.00 1.75 1.66 0.95 1.13 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 0.00 134 I 8.62 4.08 2.03 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.25 0.93 0.00 0.00 135 C 7.46 5.29 0.00 2.91 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 0.00 136 E 8.12 5.08 0.00 2.13 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 2.37 2.34 0.00 137 V 8.64 4.68 1.55 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 0.25 0.00 0.00 0.69 0.00 0.00 138 W 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