NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 E 4.2881 8.4449 118.7926 55.5801 30.9538 175.1241 19 L 4.0685 8.0848 119.8680 52.6310 42.2961 176.5970 20 S 4.4351 8.8133 118.4372 57.5561 66.0679 175.0077 21 E 3.8583 8.6006 121.2987 59.5294 29.3154 178.3633 22 A 3.9924 7.9983 120.2036 55.3043 18.3320 179.3391 23 E 3.9299 8.0596 116.8367 59.3846 29.4899 179.4876 24 R 3.8714 8.3781 119.1994 59.4547 30.1957 178.7395 25 K 3.9757 8.3994 118.3274 59.3309 32.1257 179.2254 26 A 4.0530 8.2042 121.2443 55.2646 18.2692 179.9198 27 V 3.9247 8.2487 117.1321 66.3465 31.6150 178.3366 28 Q 4.1276 8.5389 117.8603 58.7557 28.6628 178.4245 29 A 4.0663 8.2289 122.0426 55.1505 18.3935 179.2989 30 M 4.0195 8.1064 116.4239 58.7336 32.3923 178.2278 31 W 4.3159 8.7755 128.4503 60.4507 30.9079 177.6452 32 A 3.9701 8.3012 120.7897 55.1558 17.5877 179.7722 33 R 3.8090 7.2377 114.0056 59.2669 30.3035 178.7965 34 L 3.5542 6.9616 118.1892 57.9749 41.4123 179.0103 35 Y 3.6395 7.3785 116.5371 59.4195 38.7514 176.7827 36 A 4.1591 7.6377 120.9741 53.9439 19.9644 177.1947 37 N 4.8847 7.6584 113.7148 50.5984 37.2738 174.8575 38 S 3.6710 7.6136 117.4750 62.0167 62.9193 174.9094 39 E 3.8517 7.8093 120.4471 59.7531 29.3598 179.0864 40 D 4.3718 7.9014 118.2160 56.9643 40.8367 179.0101 41 V 3.6494 7.8189 119.1913 65.8622 31.6038 178.1240 42 G 3.7203 8.1547 105.7155 48.0793 0.0000 175.7590 43 V 3.6157 7.7124 119.9363 65.4935 31.5361 178.0380 44 A 3.9749 7.9905 120.5951 55.0769 18.2110 179.4832 45 I 3.6593 7.9557 118.5080 64.8331 37.1733 178.7460 46 L 4.0167 7.9750 119.5999 57.4823 41.3344 179.7535 47 V 3.6626 8.0624 118.4907 66.0732 31.4842 178.0607 48 R 3.9008 8.0581 118.4875 59.2527 29.8310 178.0729 49 F 4.4259 8.3979 120.4880 61.7269 39.0944 177.2602 50 F 4.2712 8.2643 117.4028 60.1572 38.4567 178.1515 51 V 3.6179 8.0226 117.8075 66.0863 31.5186 177.5119 52 N 4.3868 8.1027 114.1040 54.0225 40.0589 175.6893 53 F 4.7698 7.9229 118.8829 53.7418 39.8821 173.1992 54 P 4.6085 0.0000 0.0000 64.7393 31.6247 177.9440 55 S 4.2027 8.3421 112.5289 61.4566 62.9569 176.2620 56 A 3.7592 8.3202 123.9065 54.3805 18.0513 179.4538 57 K 4.0452 8.3083 117.2838 58.7566 31.8248 179.0038 58 Q 3.8990 7.5389 117.0547 58.6056 28.2983 177.2561 59 Y 4.6323 6.9762 115.5727 56.7861 38.3176 174.9713 60 F 4.4219 7.6072 120.3739 55.1413 40.7171 176.1431 61 S 4.0341 8.6044 121.6068 61.2370 63.0004 175.4656 62 Q 4.3356 8.3500 117.8315 56.8440 29.0382 176.7538 63 F 5.0017 7.7040 112.9699 56.5155 38.7214 176.6834 64 K 4.0159 8.0973 122.5480 60.0732 32.3948 177.0392 65 H 4.9422 7.9093 113.9467 55.3814 29.7531 172.9866 66 M 4.3654 7.8797 120.1352 55.2972 32.6716 175.7005 67 E 4.4767 8.5715 123.4222 56.9760 32.5714 176.4469 68 D 4.3898 7.9913 118.7307 53.5363 42.0793 174.9441 69 P 4.3676 0.0000 0.0000 65.3449 31.5063 178.3415 70 L 4.0260 8.0322 119.1985 57.6879 41.3961 178.9620 71 E 3.9893 8.0197 117.2634 59.4503 29.7264 178.7911 72 M 3.9278 7.9879 118.8755 58.3129 31.8028 178.3124 73 E 3.9010 7.8728 118.1677 58.9269 29.8742 178.1723 74 R 4.4224 7.4579 114.4939 55.0168 30.7528 176.3692 75 S 4.1894 7.4296 116.1082 57.3194 63.0166 172.5531 76 P 4.2479 0.0000 0.0000 66.0755 31.2051 178.4370 77 Q 4.1400 8.1191 117.5529 58.7748 28.9831 177.7565 78 L 3.8673 7.7075 121.7214 58.2484 42.1591 179.2481 79 R 4.0207 8.2811 118.0496 58.5353 29.8840 179.1352 80 K 3.9621 8.0598 119.9246 59.8674 32.2677 178.3987 81 H 4.3075 8.3839 118.2224 59.0768 29.7575 176.7951 82 A 3.9960 8.4990 123.1891 55.5046 18.2104 179.6133 83 S 4.0946 8.1089 111.3732 61.5706 62.4537 176.5287 84 R 4.1087 8.1239 120.8479 58.6967 29.7808 179.1656 85 V 3.5918 8.0155 118.3793 66.4185 31.5622 177.8889 86 M 4.5725 8.2320 118.6208 58.6495 31.8194 179.1709 87 G 3.7621 8.3971 105.5733 47.6940 0.0000 175.7986 88 A 4.0332 8.2245 123.3288 54.8542 18.3555 179.5618 89 L 3.6698 8.2990 117.9494 58.0012 41.7101 179.3024 90 N 4.0422 8.6406 117.0531 56.8993 38.7126 177.0221 91 T 3.7896 7.8975 117.1012 66.4778 68.3156 176.7816 92 V 3.4048 7.2619 118.8508 65.8494 31.4485 178.0038 93 V 3.4006 7.4140 118.0468 66.0901 31.1405 177.8292 94 E 4.0237 7.7746 116.6647 58.4519 29.6708 178.0068 95 N 4.7338 7.5943 116.4023 52.8341 39.9945 176.8351 96 L 4.0521 7.2880 122.1138 57.2307 42.0099 178.3686 97 H 4.4230 7.7440 112.8091 56.9323 29.3180 175.0975 98 D 4.7970 7.3653 120.9140 51.0612 40.5654 174.1311 99 P 4.3386 0.0000 0.0000 64.8776 31.3988 178.1015 100 D 4.3548 8.0997 118.9978 56.9026 40.7693 178.1927 101 K 3.8749 8.0600 119.9992 59.6573 32.2631 179.3395 102 V 3.5175 7.6314 112.1498 64.2834 31.4811 178.5381 103 S 4.1124 8.0066 114.9609 61.6534 62.7461 176.2818 104 S 4.0440 8.1905 115.9644 61.6999 62.0623 176.4697 105 V 3.5652 7.9372 120.5726 66.1442 31.2742 177.9948 106 L 4.0585 7.9383 117.9638 56.9767 41.3364 179.2831 107 A 3.9106 7.9979 121.2585 55.0922 18.3974 179.3533 108 L 3.8926 7.6628 116.7967 58.0071 41.7527 179.9991 109 V 3.7355 7.9579 117.9222 66.0162 31.5642 177.9495 110 G 3.6970 8.1405 105.7489 47.8548 0.0000 175.3454 111 K 3.7099 8.7261 122.7093 58.9612 32.2843 178.6627 112 A 3.8810 7.7872 121.0096 55.6138 18.2656 179.3222 113 H 4.2784 8.5572 114.2327 58.4678 28.6389 177.9164 114 A 3.1905 7.4954 122.9291 53.8142 17.7723 178.8139 115 L 4.3587 7.6325 115.3957 56.6569 43.0291 178.9938 116 K 4.0816 7.5131 116.5335 59.6932 32.3841 178.4465 117 H 4.3719 7.8235 113.8320 56.3076 29.3344 175.4102 118 K 4.2646 7.8468 116.9679 55.9968 29.5300 175.2730 119 V 3.2334 7.7038 117.4941 61.1748 32.5373 175.2316 120 E 4.0664 9.0898 126.7486 56.6309 30.1078 176.7212 121 P 3.9689 0.0000 0.0000 65.5032 31.2243 178.9436 122 V 3.6639 7.8754 118.6539 65.0546 30.9311 177.7108 123 Y 4.2277 8.1384 117.0478 60.7035 37.5664 178.5358 124 F 3.9969 8.6395 119.3761 60.0925 39.0076 177.5703 125 K 3.4898 7.7951 118.8320 59.2629 32.0107 178.6379 126 I 3.3874 7.5463 119.9928 64.3496 36.9811 178.0166 127 L 3.4626 8.0214 121.2747 58.3038 41.7590 179.2371 128 S 4.2899 8.2246 115.0956 61.4595 62.6895 176.9653 129 G 3.6402 8.0415 108.5962 47.7003 0.0000 176.0366 130 V 3.7347 7.9010 120.6801 65.7874 31.5105 178.0525 131 I 3.7590 8.1860 120.0799 64.3715 36.9190 178.1375 132 L 4.0006 8.1910 120.9621 58.1291 41.9983 178.4051 133 E 3.9382 8.3096 119.2860 59.5164 29.5011 179.0854 134 V 3.5695 8.1343 118.4255 65.8595 31.5910 178.1460 135 V 3.4421 7.9240 117.9489 65.9480 31.0755 177.8809 136 A 3.7861 7.8044 119.5257 54.9175 18.1943 179.3153 137 E 4.0052 7.8440 116.4466 59.6531 29.8096 178.9081 138 E 3.9374 8.0271 116.5662 57.5670 30.2224 176.8918 139 F 4.7436 8.0094 118.2061 56.7378 40.6957 177.1844 140 A 4.0224 8.2652 124.5679 55.6969 18.4405 180.8222 141 S 4.3496 8.1241 109.3574 60.8097 62.9507 174.8373 142 D 5.0574 7.8738 119.7982 53.9912 41.7116 176.4702 143 F 5.1760 8.1064 117.5890 55.6342 39.2361 172.6161 144 P 4.4909 0.0000 0.0000 61.8839 33.7937 175.1974 145 P 4.0578 0.0000 0.0000 66.0026 31.1368 178.6852 146 E 3.9352 8.0989 116.6586 59.7716 29.3257 179.4563 147 T 3.9944 7.7045 115.1864 66.5327 68.6905 176.6874 148 Q 3.4121 7.7879 120.2691 58.8106 28.6771 179.1182 149 R 3.8634 8.1979 119.5482 59.2708 30.1613 178.2271 150 A 3.9922 8.0712 120.5730 55.1436 18.4283 179.3710 151 W 4.0083 8.6983 126.8059 60.6416 30.8015 178.0354 152 A 4.1281 8.3834 120.7805 54.9424 17.7153 179.8131 153 K 3.9042 8.0481 117.2528 59.4526 32.0904 179.1530 154 L 3.7307 7.7731 120.6345 58.1076 41.8591 179.1105 155 R 3.8161 7.8472 118.6694 59.2306 30.0083 178.7513 156 G 3.6030 8.0838 105.5808 47.5758 0.0000 175.1848 157 L 3.9112 8.1485 123.3866 58.0136 41.9599 179.1870 158 I 3.5625 7.7101 119.4452 64.6918 37.1087 177.9521 159 Y 4.1717 8.1458 120.5045 60.4339 38.5706 178.0578 160 S 3.9282 8.2406 115.5471 61.6214 63.3116 176.2606 161 H 4.0223 8.1996 120.0403 58.4006 28.5587 178.0184 162 V 3.4171 7.8844 120.3625 66.2339 31.1406 178.3038 163 T 3.5412 7.5598 115.2202 66.1991 68.1047 176.6176 164 A 3.9490 7.9714 122.7251 54.8198 17.9354 179.5472 165 A 3.9543 7.8377 119.0646 55.2719 18.4846 179.5427 166 Y 3.6796 8.0009 114.9712 61.2085 37.9908 178.7226 167 K 4.0304 7.8896 119.5121 59.6270 31.9397 178.8907 168 E 4.0316 8.1064 118.4734 58.1771 29.4670 177.4170 169 V 4.2497 7.1914 117.4186 62.2965 32.2238 175.2876 170 G 4.0413 7.9672 103.3650 45.3981 0.0000 174.0402 171 W 4.3553 8.1768 131.3520 57.5949 30.6266 175.1194 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 18 E 8.44 4.29 0.00 2.06 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 2.16 2.32 0.00 19 L 8.08 4.07 0.00 1.68 1.62 0.84 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.81 4.44 0.00 4.08 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 21 E 8.60 3.86 0.00 2.05 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 2.38 2.37 0.00 22 A 8.00 3.99 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 23 E 8.06 3.93 0.00 2.21 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 2.34 2.32 0.00 24 R 8.38 3.87 0.00 1.91 2.10 0.00 3.28 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 1.68 0.00 25 K 8.40 3.98 0.00 2.02 1.87 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.61 7.81 26 A 8.20 4.05 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 27 V 8.25 3.92 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 1.10 0.00 0.00 1.05 0.00 0.00 28 Q 8.54 4.13 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 29 A 8.23 4.07 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 30 M 8.11 4.02 0.00 2.57 2.19 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.18 0.00 31 W 8.78 4.32 0.00 3.73 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 32 A 8.30 3.97 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 33 R 7.24 3.81 0.00 1.66 1.89 0.00 3.20 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 34 L 6.96 3.55 0.00 1.16 1.08 0.83 -0.08 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 35 Y 7.38 3.64 0.00 2.37 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 36 A 7.64 4.16 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 37 N 7.66 4.88 0.00 2.72 2.87 0.00 0.00 6.49 7.53 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 38 S 7.61 3.67 0.00 2.72 3.28 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 39 E 7.81 3.85 0.00 1.98 1.92 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 2.27 2.29 0.00 40 D 7.90 4.37 0.00 2.67 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 41 V 7.82 3.65 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 1.05 0.00 0.00 1.05 0.00 0.00 42 G 8.15 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 43 V 7.71 3.62 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 1.01 0.00 0.00 0.94 0.00 0.00 44 A 7.99 3.97 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 45 I 7.96 3.66 2.05 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 1.56 0.73 0.89 0.00 0.00 46 L 7.97 4.02 0.00 1.79 1.94 1.16 0.86 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 47 V 8.06 3.66 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 1.14 0.00 0.00 0.98 0.00 0.00 48 R 8.06 3.90 0.00 1.97 2.10 0.00 3.21 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 49 F 8.40 4.43 0.00 3.08 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.26 4.27 0.00 3.13 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 51 V 8.02 3.62 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 0.81 0.00 0.00 1.02 0.00 0.00 52 N 8.10 4.39 0.00 2.74 2.21 0.00 0.00 6.86 6.98 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 53 F 7.92 4.77 0.00 2.87 2.95 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 54 P 0.00 4.61 0.00 2.19 2.14 0.00 3.87 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 55 S 8.34 4.20 0.00 4.25 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 0.00 56 A 8.32 3.76 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 57 K 8.31 4.05 0.00 1.87 1.85 0.00 1.98 0.00 0.00 1.82 0.00 0.00 3.24 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.46 1.76 7.81 58 Q 7.54 3.90 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.90 0.00 0.00 0.00 0.00 0.00 1.61 1.16 0.00 59 Y 6.98 4.63 0.00 2.57 2.58 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 60 F 7.61 4.42 0.00 1.83 1.66 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 61 S 8.60 4.03 0.00 3.94 3.94 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 62 Q 8.35 4.34 0.00 2.38 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.36 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 63 F 7.70 5.00 0.00 2.91 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 64 K 8.10 4.02 0.00 1.65 1.99 0.00 1.28 0.00 0.00 1.54 0.00 0.00 2.68 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.21 1.00 7.81 65 H 7.91 4.94 0.00 3.12 3.29 0.00 5.71 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 66 M 7.88 4.37 0.00 2.22 2.03 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 2.61 2.50 0.00 67 E 8.57 4.48 0.00 1.95 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 2.20 0.00 68 D 7.99 4.39 0.00 2.73 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 69 P 0.00 4.37 0.00 2.29 2.29 0.00 3.73 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 70 L 8.03 4.03 0.00 1.82 1.72 0.93 0.68 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 71 E 8.02 3.99 0.00 2.09 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 2.30 2.53 0.00 72 M 7.99 3.93 0.00 1.90 2.17 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.30 0.00 73 E 7.87 3.90 0.00 2.16 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 0.00 2.29 2.33 0.00 74 R 7.46 4.42 0.00 1.81 1.92 0.00 3.20 0.00 0.00 3.13 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 75 S 7.43 4.19 0.00 3.84 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 76 P 0.00 4.25 0.00 2.23 2.12 0.00 3.66 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 77 Q 8.12 4.14 0.00 2.26 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.92 0.00 0.00 0.00 0.00 0.00 2.82 2.63 0.00 78 L 7.71 3.87 0.00 0.76 1.52 0.87 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.28 4.02 0.00 1.88 1.96 0.00 3.29 0.00 0.00 3.07 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 80 K 8.06 3.96 0.00 2.04 2.07 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.51 7.81 81 H 8.38 4.31 0.00 3.59 3.49 0.00 5.66 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 82 A 8.50 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.11 4.09 0.00 4.07 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 84 R 8.12 4.11 0.00 2.09 2.04 0.00 3.41 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.87 0.00 85 V 8.02 3.59 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 1.15 0.00 0.00 0.83 0.00 0.00 86 M 8.23 4.57 0.00 2.30 2.29 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 2.82 2.93 0.00 87 G 8.40 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 88 A 8.22 4.03 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 89 L 8.30 3.67 0.00 1.99 1.12 1.09 0.34 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 90 N 8.64 4.04 0.00 3.16 3.06 0.00 0.00 7.26 7.91 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 91 T 7.90 3.79 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 1.17 0.00 0.00 92 V 7.26 3.40 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 0.55 0.00 0.00 0.85 0.00 0.00 93 V 7.41 3.40 1.17 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 0.79 0.00 0.00 0.07 0.00 0.00 94 E 7.77 4.02 0.00 1.96 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 2.57 2.47 0.00 95 N 7.59 4.73 0.00 2.69 2.66 0.00 0.00 6.92 6.72 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 96 L 7.29 4.05 0.00 1.59 1.67 0.79 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.74 4.42 0.00 3.24 3.39 0.00 5.49 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 7.37 4.80 0.00 2.67 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 0.00 0.00 0.00 0.00 99 P 0.00 4.34 0.00 2.27 2.26 0.00 3.72 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 2.05 2.03 0.00 100 D 8.10 4.35 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.06 3.87 0.00 1.87 1.73 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.58 7.81 102 V 7.63 3.52 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 0.75 0.00 0.00 0.84 0.00 0.00 103 S 8.01 4.11 0.00 4.05 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 0.00 104 S 8.19 4.04 0.00 3.94 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 0.00 105 V 7.94 3.57 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 0.95 0.00 0.00 0.93 0.00 0.00 106 L 7.94 4.06 0.00 1.79 1.64 0.74 0.92 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 0.00 107 A 8.00 3.91 1.34 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 0.00 0.00 108 L 7.66 3.89 0.00 1.95 1.75 0.91 1.12 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 0.00 109 V 7.96 3.74 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 1.19 0.00 0.00 1.06 0.00 0.00 110 G 8.14 3.70 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 0.00 0.00 0.00 111 K 8.73 3.71 0.00 1.89 1.75 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.36 7.81 112 A 7.79 3.88 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 0.00 113 H 8.56 4.28 0.00 3.64 3.74 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 0.00 114 A 7.50 3.19 0.13 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 0.00 115 L 7.63 4.36 0.00 1.62 1.67 0.88 0.90 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 0.00 116 K 7.51 4.08 0.00 1.52 1.72 0.00 1.60 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.37 7.81 117 H 7.82 4.37 0.00 3.01 3.12 0.00 5.85 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 0.00 118 K 7.85 4.26 0.00 2.05 2.16 0.00 1.91 0.00 0.00 2.38 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.47 7.81 119 V 7.70 3.23 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 0.64 0.00 0.00 0.23 0.00 0.00 120 E 9.09 4.07 0.00 2.71 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 2.66 2.85 0.00 121 P 0.00 3.97 0.00 1.72 0.53 0.00 3.64 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.32 0.00 122 V 7.88 3.66 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 0.61 0.00 0.00 0.82 0.00 0.00 123 Y 8.14 4.23 0.00 3.18 3.17 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 0.00 124 F 8.64 4.00 0.00 3.29 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 0.00 125 K 7.80 3.49 0.00 0.79 1.65 0.00 1.31 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.17 7.81 126 I 7.55 3.39 1.93 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.27 -0.19 0.00 0.00 127 L 8.02 3.46 0.00 0.79 1.48 0.06 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 128 S 8.22 4.29 0.00 4.02 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 0.00 129 G 8.04 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 0.00 130 V 7.90 3.73 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 1.33 0.00 0.00 131 I 8.19 3.76 2.19 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 1.50 0.58 1.28 0.00 0.00 132 L 8.19 4.00 0.00 2.00 1.98 1.21 0.83 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 0.00 133 E 8.31 3.94 0.00 2.25 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 0.00 2.46 2.36 0.00 134 V 8.13 3.57 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 1.04 0.00 0.00 1.01 0.00 0.00 135 V 7.92 3.44 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 -0.33 0.00 0.00 0.55 0.00 0.00 136 A 7.80 3.79 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 0.00 137 E 7.84 4.01 0.00 2.06 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 2.31 2.45 0.00 138 E 8.03 3.94 0.00 2.00 1.12 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 2.13 2.39 0.00 139 F 8.01 4.74 0.00 2.87 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.27 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.12 4.35 0.00 3.88 3.97 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 0.00 0.00 0.00 142 D 7.87 5.06 0.00 2.91 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 0.00 143 F 8.11 5.18 0.00 3.02 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 0.00 144 P 0.00 4.49 0.00 2.28 2.17 0.00 3.94 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 145 P 0.00 4.06 0.00 2.13 2.11 0.00 3.56 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 2.15 0.00 146 E 8.10 3.94 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 147 T 7.70 3.99 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 148 Q 7.79 3.41 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 149 R 8.20 3.86 0.00 1.84 2.04 0.00 3.10 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 1.63 1.65 0.00 150 A 8.07 3.99 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 0.00 151 W 8.70 4.01 0.00 3.82 3.45 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 0.00 152 A 8.38 4.13 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 153 K 8.05 3.90 0.00 1.93 1.83 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.58 7.81 154 L 7.77 3.73 0.00 1.45 1.36 0.58 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 155 R 7.85 3.82 0.00 1.82 2.04 0.00 3.21 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 156 G 8.08 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 0.00 157 L 8.15 3.91 0.00 1.76 1.75 0.80 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 158 I 7.71 3.56 1.95 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.43 0.92 0.00 0.00 159 Y 8.15 4.17 0.00 3.07 2.93 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 0.00 160 S 8.24 3.93 0.00 4.02 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 0.00 161 H 8.20 4.02 0.00 3.22 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 V 7.88 3.42 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 0.04 0.00 0.00 0.54 0.00 0.00 163 T 7.56 3.54 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 0.92 0.00 0.00 164 A 7.97 3.95 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 0.00 165 A 7.84 3.95 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 0.00 166 Y 8.00 3.68 0.00 2.94 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 0.00 167 K 7.89 4.03 0.00 1.88 1.89 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.59 7.81 168 E 8.11 4.03 0.00 2.08 2.17 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 2.31 2.31 0.00 169 V 7.19 4.25 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 0.83 0.00 0.00 0.96 0.00 0.00 170 G 7.97 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 W 8.18 4.36 0.00 3.52 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