NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4793 8.3049 120.3306 55.5387 33.0177 174.4026 2 M 4.5114 8.5521 123.6099 52.8548 34.6197 170.2540 3 V 4.4162 8.2690 121.5719 60.6821 34.4925 174.1116 4 W 4.5925 8.9724 135.0000 57.5397 31.1576 175.3357 5 T 4.1056 8.0950 123.4567 61.1538 67.3318 172.5665 6 P 4.5102 0.0000 0.0000 63.4154 32.2252 175.7623 7 V 3.9696 7.4331 119.6709 62.8886 32.8839 175.4274 8 N 4.1976 8.6127 125.3501 54.9736 36.1143 173.6960 9 N 4.9886 7.5704 108.5918 52.9853 40.1155 174.2001 10 K 4.1975 8.3589 116.1609 56.4882 32.8370 176.4347 11 M 5.0872 8.3488 120.0797 53.9259 35.7383 175.2206 12 F 4.5910 8.3885 116.6350 57.2049 41.0076 176.3657 13 E 3.4975 8.3233 122.0874 57.0619 27.8371 175.3499 14 T 3.8134 8.3805 121.7152 66.5769 68.9170 174.2417 15 F 4.5191 9.0293 124.1651 57.6342 36.7320 176.2753 16 S 4.5057 8.2111 114.5633 60.1230 63.0064 174.3595 17 Y 4.4514 8.2796 117.7316 58.0149 38.0626 174.8898 18 L 4.7799 7.5958 120.1629 51.9032 44.0383 174.4368 19 P 4.4191 0.0000 0.0000 62.0686 31.7443 175.0249 20 P 4.3086 0.0000 0.0000 62.7014 31.7956 176.3931 21 L 3.9906 8.3184 122.5955 54.6553 42.1269 178.0073 22 T 4.1599 8.2287 114.1587 61.3620 70.9579 175.0725 23 D 4.3305 8.5819 121.2076 57.6472 40.7634 178.8176 24 E 3.9432 8.0796 119.3101 59.2635 29.6960 178.7418 25 Q 3.9373 7.9679 118.2568 58.6186 28.6627 178.5823 26 I 3.6520 8.0100 120.8834 64.3982 37.1560 178.0185 27 A 4.0098 8.1569 121.4095 55.4521 18.1078 179.5932 28 A 3.9473 8.0528 118.9528 55.3907 18.4436 179.8680 29 Q 4.0664 8.0801 116.6449 59.1505 28.7792 179.2317 30 V 3.7477 8.3406 119.6106 66.1636 31.5907 177.7561 31 D 4.4143 8.4814 118.8686 57.5959 40.4316 178.1505 32 Y 4.2057 8.1887 119.9949 60.6548 38.8196 178.1990 33 I 3.9379 8.0031 120.7797 64.5037 37.3181 178.6384 34 V 3.5138 7.8444 118.7354 65.9810 31.1999 177.8608 35 A 3.9276 8.2511 119.4896 54.6175 18.2174 178.3341 36 N 4.0860 7.0430 112.2341 52.1102 38.7589 175.7520 37 G 3.7665 7.3517 108.2765 46.0291 0.0000 174.0385 38 W 4.9491 7.5005 118.8575 56.0981 30.6988 176.1384 39 I 4.4021 8.9748 123.0482 59.5213 37.9785 174.0245 40 P 4.9063 0.0000 0.0000 62.8399 32.7462 175.1620 41 C 5.0059 8.9645 121.9677 58.3149 35.5677 172.4790 42 L 5.3179 8.7503 123.9420 53.3047 44.3971 175.1796 43 E 5.6204 9.1206 120.6258 55.0875 34.3278 174.4442 44 F 5.5886 8.9879 115.5034 56.0780 41.9760 172.9461 45 A 4.5320 8.2608 120.4015 50.1447 22.6521 176.2251 46 E 4.2425 8.6672 118.7462 55.8104 30.4639 177.6744 47 A 4.2923 8.8524 123.0343 55.8890 18.4261 179.8214 48 D 4.5119 8.1527 113.4702 56.4091 41.0856 177.2006 49 K 4.6174 7.9239 117.1615 56.0496 32.5179 176.8449 50 A 3.9431 7.6299 124.3987 53.7709 18.9738 178.3203 51 Y 4.6710 7.4368 111.3760 55.5917 40.2372 175.7665 52 V 3.8724 8.3141 122.4259 63.8287 32.0696 175.2756 53 S 4.7323 8.7333 119.2093 57.7243 66.1543 173.7308 54 N 5.1790 8.5978 114.4787 52.5596 39.4241 176.2173 55 E 3.9036 8.3535 118.7356 59.9016 29.2847 179.1538 56 S 4.0987 8.6498 115.0095 60.5048 62.8823 176.0352 57 A 2.5800 7.7266 123.6072 53.6512 17.7303 179.0488 58 I 3.5500 6.8391 115.5125 63.8443 38.0044 177.1522 59 R 4.2593 7.4213 116.2688 55.8015 30.5338 176.2925 60 F 5.0550 7.2476 118.1520 55.9891 41.2177 177.6484 61 G 4.0255 8.2409 116.9373 46.2569 0.0000 175.7393 62 S 4.6113 8.4341 114.4270 58.3679 62.0207 174.4246 63 V 4.4689 7.2442 107.1000 61.1827 33.3258 177.5513 64 S 4.5392 8.2158 114.7076 59.3537 63.5826 173.3208 65 C 4.0337 8.0980 119.2424 61.4765 27.8930 173.0728 66 L 3.5974 8.4122 123.5645 55.6136 38.9960 173.2953 67 Y 4.3465 7.6362 119.5872 56.0973 39.7602 174.5308 68 Y 4.8934 7.2436 123.4329 56.2813 42.4260 174.7923 69 D 4.5002 8.8344 123.3762 55.3439 41.7259 176.8166 70 N 4.5278 8.8862 116.4183 54.3029 35.9144 176.1320 71 R 3.9387 8.0051 118.6807 59.3559 30.3667 177.1674 72 Y 4.3244 7.6496 114.5521 57.9661 38.3598 175.3132 73 W 5.0858 8.6698 124.4055 55.4948 32.6782 174.4738 74 T 4.3580 8.1171 117.0417 62.5274 69.6699 174.4995 75 M 4.5231 8.5072 126.4602 55.2488 33.2266 175.2936 76 W 4.8144 9.4838 135.0000 55.9666 31.1221 176.8968 77 K 3.4427 8.5326 129.4064 57.6778 30.2876 177.9612 78 L 4.9212 8.2292 125.7519 52.6472 44.9524 174.0460 79 P 4.3465 0.0000 0.0000 63.5245 32.2287 177.5303 80 M 4.2921 8.5947 123.2875 53.6379 30.4317 175.3605 81 F 4.5094 7.4234 118.7629 58.8043 39.9645 176.4488 82 G 3.9982 9.1437 112.9889 45.4797 0.0000 172.9854 83 C 4.2891 7.8900 120.7028 59.6074 31.7719 173.1823 84 R 4.5441 8.6553 124.0822 55.5327 31.3343 174.5074 85 D 4.8114 7.8393 118.2536 51.4297 42.7406 174.5013 86 P 4.3517 0.0000 0.0000 65.9173 31.2777 178.5457 87 M 4.1183 8.1727 117.2462 58.2727 31.9198 178.4896 88 Q 3.9868 8.0557 119.5853 59.0363 29.2217 178.5832 89 V 3.6190 7.7263 118.7883 66.0535 31.7557 177.7400 90 L 4.0261 8.0328 118.7292 58.0751 41.4007 179.8587 91 R 3.9942 8.2605 117.9265 59.2373 29.9588 178.9848 92 E 4.1220 8.1574 118.1585 59.0884 29.3987 179.2858 93 I 3.4878 7.7995 120.0296 64.2850 37.2272 178.3091 94 V 3.4663 7.6767 118.6610 66.1620 31.4104 177.9026 95 A 3.9574 8.0649 120.3344 55.1079 18.2257 179.1907 96 C 2.0000 7.8214 117.6639 62.1077 31.3468 175.9187 97 T 3.7138 7.5854 111.3957 64.5921 67.8836 176.2219 98 K 3.8158 7.6742 121.5235 59.2223 32.3017 178.4407 99 A 3.9763 7.5067 119.8753 53.3623 19.8055 177.6235 100 F 4.7179 7.6647 115.6354 55.0611 39.0257 174.0952 101 P 4.4489 0.0000 0.0000 64.3316 31.8469 177.8953 102 D 4.6453 8.0681 116.5397 53.8794 41.2061 175.4628 103 A 4.7147 7.3279 121.1044 50.3882 21.4478 176.9045 104 Y 4.2500 8.5289 117.5354 57.8112 39.5028 175.2704 105 V 5.2033 8.8519 123.1350 61.1364 35.0504 174.2920 106 R 4.9943 9.4765 124.1302 54.2740 32.9367 173.9981 107 L 4.8596 8.0543 123.1474 53.8198 43.9838 175.6555 108 V 4.7986 8.6274 118.0770 59.5158 36.5299 174.1249 109 A 4.8953 8.0980 121.5426 50.4030 22.9002 175.1174 110 F 5.2206 9.0290 119.3362 55.7479 42.5373 174.1593 111 D 5.3839 8.7961 122.7833 52.8252 42.2623 176.6731 112 N 4.7466 9.1433 122.9171 54.2031 38.4291 176.4159 113 Q 4.1687 8.6542 118.7067 59.0241 28.9424 177.6259 114 K 4.0307 8.2599 114.5621 56.9317 33.0236 176.5238 115 Q 3.4334 7.9842 118.6377 56.0250 27.0616 172.7559 116 V 4.5265 7.8012 117.2889 59.9361 35.0754 174.3853 117 Q 4.3003 8.7548 123.3669 56.5978 29.2719 175.5734 118 I 4.2200 8.1685 124.8917 61.1656 39.8198 174.5937 119 M 4.6829 6.8590 117.4745 54.5179 34.5153 173.7978 120 G 4.7398 8.3480 104.3966 46.9796 0.0000 172.5127 121 F 5.0599 7.1651 116.6772 55.2755 41.1902 172.8551 122 L 4.4565 8.8084 122.8767 55.5187 42.0905 176.7926 123 V 4.5167 9.0049 118.0611 61.4080 33.9519 175.5817 124 Q 4.6191 7.7666 121.2310 54.4998 32.4081 173.1183 125 R 4.4261 8.0785 121.5411 52.9107 32.7250 173.5393 126 P 4.1822 0.0000 0.0000 62.8203 31.6979 177.6446 127 K 4.0801 8.4754 119.8590 59.1656 32.1515 178.0546 128 S 4.4305 7.9351 110.8938 58.2128 63.5226 173.9589 129 A 4.2997 7.8333 125.4199 52.8074 18.3554 177.6607 130 R 4.5976 8.8707 120.5958 56.0550 31.3753 175.6266 131 D 4.9637 8.4457 117.1906 52.5247 39.7533 175.5777 132 W 5.5650 7.5648 114.2602 54.1788 31.2795 174.0542 133 Q 4.3211 8.4372 118.4441 53.0040 30.6281 174.1425 134 P 4.5102 0.0000 0.0000 62.4569 31.8048 176.9047 135 A 3.9772 8.9753 123.4051 55.6737 18.1634 179.2000 136 N 4.5830 8.2233 111.8297 54.4819 37.8503 176.1474 137 K 4.4809 7.7849 119.6713 54.4678 32.7877 182.7263 138 R 3.6671 7.5481 120.5600 58.7585 30.1365 176.7550 139 S 5.0958 7.4838 110.1332 56.3352 66.0415 174.2471 140 V 3.9902 8.4290 114.1664 61.7629 32.2596 175.6209 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 4.48 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 M 8.55 4.51 0.00 2.03 2.06 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 2.56 2.63 0.00 3 V 8.27 4.42 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.97 0.00 0.00 4 W 8.97 4.59 0.00 3.47 3.04 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 5 T 8.10 4.11 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 6 P 0.00 4.51 0.00 2.23 2.19 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 7 V 7.43 3.97 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 0.76 0.00 0.00 0.91 0.00 0.00 8 N 8.61 4.20 0.00 2.98 2.89 0.00 0.00 6.52 6.92 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 9 N 7.57 4.99 0.00 2.65 2.69 0.00 0.00 7.31 6.68 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 10 K 8.36 4.20 0.00 1.95 1.51 0.00 0.64 0.00 0.00 1.11 0.00 0.00 2.65 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.36 1.47 7.81 11 M 8.35 5.09 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.67 0.00 12 F 8.39 4.59 0.00 3.10 3.05 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 13 E 8.32 3.50 0.00 2.14 1.74 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 2.20 2.13 0.00 14 T 8.38 3.81 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 0.21 0.00 0.00 15 F 9.03 4.52 0.00 3.31 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.21 4.51 0.00 4.14 4.20 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 17 Y 8.28 4.45 0.00 3.03 3.19 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 18 L 7.60 4.78 0.00 1.85 1.61 0.89 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.42 0.00 2.04 2.02 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 20 P 0.00 4.31 0.00 2.05 1.99 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 21 L 8.32 3.99 0.00 1.59 1.49 0.37 0.52 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 22 T 8.23 4.16 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 1.18 0.00 0.00 23 D 8.58 4.33 0.00 2.70 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 24 E 8.08 3.94 0.00 2.01 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 2.35 2.38 0.00 25 Q 7.97 3.94 0.00 2.30 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 26 I 8.01 3.65 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.87 1.07 0.00 0.00 27 A 8.16 4.01 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 28 A 8.05 3.95 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 29 Q 8.08 4.07 0.00 2.43 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.31 1.79 0.00 30 V 8.34 3.75 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 1.14 0.00 0.00 1.13 0.00 0.00 31 D 8.48 4.41 0.00 2.97 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 32 Y 8.19 4.21 0.00 3.22 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 33 I 8.00 3.94 2.18 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.24 1.07 0.00 0.00 34 V 7.84 3.51 2.08 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 1.00 0.00 0.00 1.01 0.00 0.00 35 A 8.25 3.93 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 36 N 7.04 4.09 0.00 1.44 1.42 0.00 0.00 7.02 7.45 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 37 G 7.35 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 38 W 7.50 4.95 0.00 3.37 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.97 4.40 2.13 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 1.46 0.85 0.74 0.00 0.00 40 P 0.00 4.91 0.00 2.09 1.99 0.00 3.79 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 41 C 8.96 5.01 0.00 3.08 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 42 L 8.75 5.32 0.00 1.85 1.63 0.92 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 43 E 9.12 5.62 0.00 2.06 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 0.00 2.36 2.33 0.00 44 F 8.99 5.59 0.00 3.05 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 45 A 8.26 4.53 -0.15 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 0.00 0.00 46 E 8.67 4.24 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 47 A 8.85 4.29 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.15 4.51 0.00 2.71 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 49 K 7.92 4.62 0.00 1.52 1.71 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.43 7.81 50 A 7.63 3.94 0.60 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 51 Y 7.44 4.67 0.00 2.94 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 52 V 8.31 3.87 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 0.62 0.00 0.00 0.77 0.00 0.00 53 S 8.73 4.73 0.00 4.08 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.60 5.18 0.00 2.76 2.84 0.00 0.00 6.56 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.35 3.90 0.00 2.15 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 2.39 2.38 0.00 56 S 8.65 4.10 0.00 4.03 3.75 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 0.00 0.00 0.00 57 A 7.73 2.58 1.08 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 58 I 6.84 3.55 1.78 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 1.48 0.81 0.84 0.00 0.00 59 R 7.42 4.26 0.00 1.94 2.01 0.00 3.20 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 60 F 7.25 5.06 0.00 3.01 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 61 G 8.24 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 0.00 0.00 0.00 62 S 8.43 4.61 0.00 3.86 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 63 V 7.24 4.47 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.49 0.00 0.00 64 S 8.22 4.54 0.00 4.10 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 0.00 65 C 8.10 4.03 0.00 2.97 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 66 L 8.41 3.60 0.00 1.78 1.77 0.95 1.00 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 67 Y 7.64 4.35 0.00 2.97 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 68 Y 7.24 4.89 0.00 2.82 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 69 D 8.83 4.50 0.00 2.80 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.89 4.53 0.00 3.07 3.26 0.00 0.00 6.99 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.01 3.94 0.00 1.53 1.65 0.00 3.08 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 72 Y 7.65 4.32 0.00 3.06 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 73 W 8.67 5.09 0.00 3.08 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 74 T 8.12 4.36 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 0.93 0.00 0.00 75 M 8.51 4.52 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.76 0.00 76 W 9.48 4.81 0.00 3.72 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 77 K 8.53 3.44 0.00 1.73 0.90 0.00 1.75 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.77 0.21 7.81 78 L 8.23 4.92 0.00 1.61 1.59 1.00 1.03 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 79 P 0.00 4.35 0.00 0.66 1.82 0.00 3.65 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 1.95 2.13 0.00 80 M 8.59 4.29 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 81 F 7.42 4.51 0.00 3.11 2.98 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 82 G 9.14 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.89 4.29 0.00 3.05 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 84 R 8.66 4.54 0.00 1.80 1.87 0.00 3.20 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.80 0.00 85 D 7.84 4.81 0.00 2.72 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.35 0.00 2.22 2.12 0.00 3.67 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 2.13 2.20 0.00 87 M 8.17 4.12 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 88 Q 8.06 3.99 0.00 2.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.73 3.62 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 1.05 0.00 0.00 0.97 0.00 0.00 90 L 8.03 4.03 0.00 1.90 1.72 0.94 0.82 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 91 R 8.26 3.99 0.00 2.04 2.01 0.00 3.15 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 92 E 8.16 4.12 0.00 2.25 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 2.61 2.66 0.00 93 I 7.80 3.49 2.00 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 1.35 0.75 0.85 0.00 0.00 94 V 7.68 3.47 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 0.97 0.00 0.00 0.95 0.00 0.00 95 A 8.06 3.96 1.50 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 0.00 0.00 96 C 7.82 2.00 0.00 1.24 2.39 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 97 T 7.59 3.71 4.28 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 1.15 0.00 0.00 98 K 7.67 3.82 0.00 1.81 1.93 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.38 7.81 99 A 7.51 3.98 1.21 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 0.00 0.00 100 F 7.66 4.72 0.00 2.80 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 0.00 101 P 0.00 4.45 0.00 2.12 2.11 0.00 3.24 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 102 D 8.07 4.65 0.00 2.68 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 0.00 103 A 7.33 4.71 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 0.00 104 Y 8.53 4.25 0.00 2.54 2.68 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 0.00 0.00 0.00 0.00 105 V 8.85 5.20 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 0.83 0.00 0.00 0.88 0.00 0.00 106 R 9.48 4.99 0.00 1.84 1.93 0.00 2.32 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.34 0.00 107 L 8.05 4.86 0.00 1.51 0.75 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.63 4.80 1.63 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 0.42 0.00 0.00 0.47 0.00 0.00 109 A 8.10 4.90 1.20 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 0.00 0.00 110 F 9.03 5.22 0.00 3.00 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 0.00 111 D 8.80 5.38 0.00 2.41 2.45 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 0.00 112 N 9.14 4.75 0.00 2.93 3.05 0.00 0.00 6.32 7.39 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 0.00 113 Q 8.65 4.17 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.03 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 114 K 8.26 4.03 0.00 1.76 1.86 0.00 2.05 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.45 7.81 115 Q 7.98 3.43 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 116 V 7.80 4.53 2.08 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 0.52 0.00 0.00 0.91 0.00 0.00 117 Q 8.75 4.30 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.19 1.88 0.00 118 I 8.17 4.22 1.23 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.35 -0.62 0.00 0.00 119 M 6.86 4.68 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 120 G 8.35 4.74 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 0.00 121 F 7.17 5.06 0.00 3.24 3.25 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 0.00 122 L 8.81 4.46 0.00 1.65 1.62 0.68 0.40 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 0.00 123 V 9.00 4.52 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 0.89 0.00 0.00 124 Q 7.77 4.62 0.00 1.99 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 125 R 8.08 4.43 0.00 1.13 1.45 0.00 2.21 0.00 0.00 2.68 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.24 0.00 126 P 0.00 4.18 0.00 2.10 2.18 0.00 2.20 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 127 K 8.48 4.08 0.00 1.76 1.93 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.35 7.81 128 S 7.94 4.43 0.00 4.00 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 0.00 129 A 7.83 4.30 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.87 4.60 0.00 1.81 1.90 0.00 3.36 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.55 0.00 131 D 8.45 4.96 0.00 2.94 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 W 7.56 5.57 0.00 3.65 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 0.00 133 Q 8.44 4.32 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.03 0.00 0.00 0.00 0.00 0.00 2.32 2.04 0.00 134 P 0.00 4.51 0.00 2.34 2.11 0.00 3.40 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.77 0.00 135 A 8.98 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 N 8.22 4.58 0.00 2.83 2.95 0.00 0.00 5.70 7.13 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 0.00 137 K 7.78 4.48 0.00 1.76 1.68 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.24 7.81 138 R 7.55 3.67 0.00 1.51 0.66 0.00 3.01 0.00 0.00 3.03 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.68 0.00 139 S 7.48 5.10 0.00 4.06 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 0.00 140 V 8.43 3.99 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 0.60 0.00 0.00 0.95 0.00 0.00