NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4297 8.3049 120.3218 54.8764 33.4221 174.9927 2 M 3.8600 8.1747 119.9878 53.9195 32.4644 174.3864 3 Q 4.6951 7.6183 117.5215 54.2055 32.7933 174.2067 4 I 4.1179 8.7186 120.2801 61.1098 38.7383 176.5471 5 S 4.5881 8.7618 122.0020 57.2717 65.6901 175.6904 6 S 4.0784 8.3897 117.6997 61.8291 62.4462 176.4579 7 N 4.3643 8.2156 119.3110 56.5816 38.6856 176.8779 8 G 3.6210 8.3934 107.5458 47.8086 0.0000 175.7182 9 I 3.6349 7.8458 122.2242 64.4139 37.1656 178.6039 10 T 3.8345 8.0095 116.5731 66.8184 68.2774 176.9505 11 R 3.9295 8.3035 120.2475 59.0900 30.0040 178.8818 12 L 3.9429 8.0664 120.2496 58.0059 41.9581 179.1373 13 K 3.9247 8.2708 118.7405 59.4270 31.7476 179.2411 14 R 3.8823 7.7191 117.9362 59.5050 30.0723 178.1842 15 E 4.1504 7.9980 117.4017 59.3728 29.5755 178.6825 16 E 4.2705 8.4019 117.7705 55.8905 30.1705 176.9711 17 G 4.0126 8.2680 108.1729 45.7639 0.0000 172.0906 18 E 4.7776 8.5164 123.2892 54.1320 31.9034 175.1319 19 R 4.5773 8.8573 124.4548 54.5368 32.8550 176.0445 20 L 4.2553 8.7874 124.3120 55.9378 42.9929 176.6766 21 K 5.0464 7.8948 118.2987 54.0887 33.8580 176.2551 22 A 4.6013 8.7800 127.2981 52.9380 19.1564 176.0701 23 Y 4.9228 8.7539 117.6568 55.8772 42.4284 173.7641 24 S 5.0424 8.6018 116.3046 56.9562 64.4155 174.6165 25 D 4.8840 8.6800 125.5879 52.4497 40.3438 177.1557 26 S 4.2238 8.6252 112.9090 60.8412 62.8726 175.2306 27 R 4.1756 8.1173 118.3509 56.4029 30.4876 177.0567 28 G 4.0074 8.3665 106.2094 44.9008 0.0000 172.9218 29 I 4.2591 8.2757 121.6881 58.8968 38.6630 173.6915 30 P 4.6066 0.0000 0.0000 63.4416 31.7709 175.9290 31 T 4.8229 8.6542 120.0106 62.1785 73.3854 172.6122 32 I 4.8089 8.7026 123.1395 59.9273 42.2464 176.0931 33 G 3.8811 9.3569 114.2646 47.1975 0.0000 176.5071 34 V 4.5663 8.3780 117.7404 61.3851 30.2754 174.9400 35 G 3.9792 8.5576 108.3543 45.7681 0.0000 170.3005 36 H 4.6163 8.4106 121.0206 55.6584 29.9478 175.6896 37 T 4.4793 8.2493 115.9899 61.4864 70.3636 174.7289 38 G 3.8375 7.2103 110.4533 44.5105 0.0000 173.2510 39 K 4.3386 8.3643 118.1213 56.2938 32.8276 176.7311 40 V 4.2825 8.7155 120.4091 62.3864 33.6992 175.5888 41 D 4.4365 10.0349 128.2813 55.4048 38.3569 174.6956 42 G 4.0062 8.7143 105.2457 45.3207 0.0000 173.2048 43 N 5.1358 8.0075 116.6219 50.7336 42.3110 174.0627 44 S 4.4939 8.3907 114.8532 57.7425 63.9151 174.4299 45 V 3.6218 8.1747 122.4940 63.3966 32.0261 174.9158 46 A 4.5711 8.2007 127.3588 50.5404 22.0079 175.2170 47 S 4.2952 8.5183 114.1141 60.4040 62.5705 174.6796 48 G 4.0282 8.9342 115.6274 45.2957 0.0000 173.3318 49 M 4.2587 8.0022 120.5648 56.0741 33.1768 175.3329 50 T 5.3551 8.5189 121.4448 61.7887 72.3438 172.8887 51 I 4.8646 8.5560 117.4670 59.1916 41.2166 175.0308 52 T 4.2929 8.3269 112.3540 60.5731 70.2089 175.5630 53 A 3.9687 8.5027 123.7185 55.4543 18.2414 179.9282 54 E 3.9296 8.0867 116.7313 59.2855 29.5558 179.1570 55 K 3.9247 8.1661 119.8128 59.4536 32.1483 178.7080 56 S 4.0755 8.3435 113.6574 61.5518 62.1975 176.3621 57 S 4.0656 8.2033 117.7867 61.4486 62.5479 176.1906 58 E 3.8907 8.2457 121.9238 59.4119 29.3161 178.9306 59 L 3.9411 8.1517 119.2023 57.6508 41.6563 179.2790 60 L 3.9443 8.2200 120.5811 58.1370 41.7985 179.1857 61 K 3.9279 8.0660 117.6581 59.2493 32.3496 178.5804 62 E 4.1089 8.2006 119.6733 59.5137 29.4376 178.5198 63 D 4.7553 8.2975 116.8528 56.2829 41.3000 177.7175 64 L 4.0293 7.8626 118.7878 55.5297 41.8115 178.4958 65 Q 4.0141 7.9479 119.0540 58.6753 28.6381 178.7360 66 W 4.2586 8.0686 117.3793 59.3162 28.2362 178.6125 67 V 2.9630 6.4150 118.5589 65.6973 31.0006 177.7651 68 E 3.9331 8.0422 118.3491 59.4661 29.2090 179.0880 69 D 4.4095 8.5504 119.1700 57.2375 40.7930 178.7114 70 A 4.0838 8.1165 121.3121 55.2246 18.3766 179.7492 71 I 3.6767 7.8443 118.3958 64.5908 36.9439 178.5685 72 S 4.1584 8.0457 112.8209 61.4630 62.2686 175.9369 73 S 4.2709 8.2288 114.9636 61.1318 62.2978 175.3649 74 L 4.4248 8.1396 119.8672 54.5800 42.3540 176.9916 75 V 4.4803 7.6159 118.5664 61.4902 32.5949 175.4955 76 R 4.6021 9.2813 124.9162 55.9299 30.8941 175.8237 77 V 4.6094 7.4101 110.4852 58.3024 34.8816 173.5808 78 P 4.4818 0.0000 0.0000 62.8358 31.7202 176.2038 79 L 4.9656 8.2558 121.3930 52.4396 44.9443 177.0047 80 N 4.6553 8.9318 121.7147 52.0215 39.8426 176.2311 81 Q 3.9391 8.3356 120.4432 59.2872 29.1009 177.5810 82 N 4.3380 8.0893 117.1392 56.2580 38.6470 177.1452 83 Q 3.5513 8.5305 119.8126 58.9521 28.6759 178.2480 84 Y 4.0052 8.1372 120.4081 60.9493 38.9784 177.9389 85 D 4.3643 8.7136 119.9486 57.2819 40.9133 178.6747 86 A 4.1233 8.2539 121.2737 55.5761 18.3847 179.6388 87 M 4.0486 8.3998 117.2187 58.5994 31.8899 178.6441 88 C 3.7263 8.0284 117.1482 62.8006 28.0770 176.2239 89 S 4.0319 7.8684 114.0752 61.1398 61.9175 175.8428 90 L 3.9218 7.9866 122.9828 58.3756 41.7351 179.1406 91 I 3.5010 7.7717 120.0604 64.1410 36.7416 178.0277 92 F 4.0278 8.0276 120.8341 61.4132 39.1013 176.5202 93 N 4.4346 7.8217 116.1282 56.4830 39.0522 176.6470 94 I 3.9171 7.8769 113.7068 60.9189 38.4953 176.9947 95 G 4.0946 7.9448 106.3063 45.3679 0.0000 174.4678 96 K 4.1690 8.5546 119.7803 59.6069 32.2719 179.2920 97 S 4.1256 8.0516 114.7392 61.5442 62.5758 176.3948 98 A 4.0488 7.8436 121.7505 55.1427 18.4848 178.9545 99 F 4.0533 8.1626 118.9445 61.3678 39.2197 177.1687 100 A 3.9749 8.3957 119.8565 54.5603 18.2083 178.8271 101 G 3.8949 7.6141 101.3481 44.0690 0.0000 174.0740 102 S 4.7850 7.2336 116.3985 57.5873 64.5569 175.6223 103 T 3.8906 8.4854 118.4119 66.4529 68.0408 176.9267 104 V 3.6071 7.9960 120.0350 66.1557 31.4474 177.7098 105 L 3.7460 7.6014 119.5388 58.0370 41.3570 178.7971 106 R 3.8363 7.7022 118.3224 59.6213 30.0223 178.5566 107 Q 3.9702 8.3079 118.0003 58.5717 28.6513 178.0663 108 L 3.7765 8.1271 121.7405 58.5052 41.9553 178.8956 109 N 4.5290 8.0352 113.6229 55.0946 38.5508 176.3120 110 L 4.3059 7.2162 118.1226 53.6421 42.1356 176.4825 111 K 3.2074 7.7733 117.6746 57.6653 30.4240 177.1234 112 N 4.7629 7.5984 117.2911 52.4251 35.6490 174.7465 113 Y 4.2869 7.9083 121.8644 60.8660 38.5977 177.4713 114 Q 4.0697 8.3391 120.0181 59.2150 29.3057 177.9916 115 A 4.0088 8.0960 121.1367 54.9692 18.2374 179.2159 116 A 3.9550 8.1441 118.4657 55.2907 18.8073 179.3448 117 A 3.4348 8.0311 119.2323 55.3781 18.4400 179.7000 118 D 4.3651 8.3778 117.1157 57.2428 40.9876 178.6181 119 A 4.2104 8.2550 120.8211 54.3111 18.3093 179.3542 120 F 4.2322 8.4164 116.9764 60.7126 38.7725 177.2333 121 L 4.3416 7.9805 116.7312 56.6212 41.5184 178.8225 122 L 4.0314 7.7369 118.2142 56.0073 42.8366 177.6988 123 W 4.5998 7.8246 121.5892 55.2971 27.7101 176.0002 124 K 4.5036 7.6635 117.7613 56.5015 34.5774 176.7711 125 K 4.7799 7.9057 120.0249 55.1331 33.6146 175.3570 126 A 4.6358 8.4578 127.0470 51.6402 23.0472 176.0110 127 G 3.7164 8.4906 111.4901 47.2756 0.0000 174.4267 128 K 4.2789 8.7543 124.7732 56.0588 32.3722 175.4366 129 D 4.8252 7.9804 120.9267 51.6374 41.7519 175.2617 130 P 4.4661 0.0000 0.0000 64.8612 31.7636 176.6612 131 D 4.9181 8.5278 117.3526 52.8414 40.3570 177.1850 132 I 3.6498 8.0083 121.7414 64.1836 38.1738 176.4561 133 L 4.4723 8.2825 118.7887 54.8335 42.1619 178.1955 134 L 3.9989 8.1941 122.3249 57.7057 41.9858 176.9276 135 P 4.2605 0.0000 0.0000 65.5448 31.2303 178.4481 136 R 3.9375 8.0073 116.9134 59.6039 30.0409 178.5190 137 R 4.1114 8.3203 117.9606 59.4917 30.0112 179.2731 138 R 3.9699 8.4369 118.1300 59.3623 30.0523 179.3760 139 R 3.9357 8.1579 117.8544 59.2221 29.9753 179.0039 140 E 3.9926 8.5072 118.6282 59.3053 29.4822 179.2846 141 R 3.2265 8.2653 118.9126 59.1752 29.8914 178.2693 142 A 3.9717 7.8869 119.4348 55.1071 18.6645 179.0729 143 L 4.0160 8.0405 118.7074 58.2999 41.9965 178.7363 144 F 4.1279 8.1868 119.6580 61.2596 39.3279 176.3244 145 L 4.3963 7.8045 115.4726 55.2790 41.8407 177.5151 146 S 4.4287 7.8193 119.9127 58.6596 63.3947 173.6741 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 4.43 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.65 0.00 2 M 8.17 3.86 0.00 1.03 1.55 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 3 Q 7.62 4.70 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.97 0.00 0.00 0.00 0.00 0.00 2.09 2.25 0.00 4 I 8.72 4.12 1.94 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 1.35 1.04 0.89 0.00 0.00 5 S 8.76 4.59 0.00 4.08 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.39 4.08 0.00 3.86 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 7 N 8.22 4.36 0.00 2.81 2.80 0.00 0.00 7.05 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 8 G 8.39 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.85 3.63 1.97 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 1.61 0.84 0.86 0.00 0.00 10 T 8.01 3.83 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 1.20 0.00 0.00 11 R 8.30 3.93 0.00 1.79 1.98 0.00 3.29 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 12 L 8.07 3.94 0.00 1.72 1.69 0.90 0.15 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 13 K 8.27 3.92 0.00 1.97 1.84 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.59 7.81 14 R 7.72 3.88 0.00 1.83 2.15 0.00 3.44 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 15 E 8.00 4.15 0.00 2.17 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 2.58 2.54 0.00 16 E 8.40 4.27 0.00 2.10 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 2.55 2.68 0.00 17 G 8.27 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 18 E 8.52 4.78 0.00 1.92 1.82 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 2.20 2.32 0.00 19 R 8.86 4.58 0.00 1.82 1.76 0.00 2.76 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.45 0.00 20 L 8.79 4.26 0.00 1.62 1.94 0.93 1.04 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 21 K 7.89 5.05 0.00 1.93 1.76 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.35 0.99 7.81 22 A 8.78 4.60 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.75 4.92 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.60 5.04 0.00 3.80 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.68 4.88 0.00 2.95 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 26 S 8.63 4.22 0.00 4.03 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 0.00 27 R 8.12 4.18 0.00 1.92 2.00 0.00 3.17 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 28 G 8.37 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 29 I 8.28 4.26 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.57 0.84 0.00 0.00 30 P 0.00 4.61 0.00 1.87 1.94 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 31 T 8.65 4.82 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 1.18 0.00 0.00 32 I 8.70 4.81 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.38 0.97 0.00 0.00 33 G 9.36 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 0.00 0.00 0.00 34 V 8.38 4.57 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 0.93 0.00 0.00 0.96 0.00 0.00 35 G 8.56 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.41 4.62 0.00 3.26 3.40 0.00 5.54 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.25 4.48 4.16 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 1.14 0.00 0.00 38 G 7.21 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.36 4.34 0.00 1.79 1.90 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.44 7.81 40 V 8.72 4.28 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 1.00 0.00 0.00 0.97 0.00 0.00 41 D 10.03 4.44 0.00 2.80 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 42 G 8.71 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 43 N 8.01 5.14 0.00 2.79 2.67 0.00 0.00 6.71 7.08 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 44 S 8.39 4.49 0.00 3.97 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 45 V 8.17 3.62 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 0.79 0.00 0.00 0.98 0.00 0.00 46 A 8.20 4.57 1.22 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 0.00 0.00 47 S 8.52 4.30 0.00 3.85 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 48 G 8.93 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 49 M 8.00 4.26 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 50 T 8.52 5.36 4.26 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 1.26 0.00 0.00 51 I 8.56 4.86 1.88 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 1.45 0.68 0.92 0.00 0.00 52 T 8.33 4.29 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 1.21 0.00 0.00 53 A 8.50 3.97 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 54 E 8.09 3.93 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 2.39 2.41 0.00 55 K 8.17 3.92 0.00 1.88 1.94 0.00 1.51 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 56 S 8.34 4.08 0.00 3.93 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 0.00 57 S 8.20 4.07 0.00 4.05 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.25 3.89 0.00 2.03 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 2.30 2.35 0.00 59 L 8.15 3.94 0.00 1.81 1.52 0.83 0.54 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 60 L 8.22 3.94 0.00 1.79 1.77 0.51 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.07 3.93 0.00 1.86 1.84 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.56 7.81 62 E 8.20 4.11 0.00 2.08 2.20 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 2.39 2.40 0.00 63 D 8.30 4.76 0.00 3.05 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 64 L 7.86 4.03 0.00 1.70 1.48 0.68 0.27 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 65 Q 7.95 4.01 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.71 0.00 66 W 8.07 4.26 0.00 3.58 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 67 V 6.42 2.96 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 0.61 0.00 0.00 -0.62 0.00 0.00 68 E 8.04 3.93 0.00 2.05 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 0.00 2.39 2.42 0.00 69 D 8.55 4.41 0.00 2.91 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 70 A 8.12 4.08 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.84 3.68 1.92 0.00 0.00 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 1.04 0.37 0.96 0.00 0.00 72 S 8.05 4.16 0.00 3.95 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 0.00 73 S 8.23 4.27 0.00 4.00 4.07 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 74 L 8.14 4.42 0.00 1.95 1.79 1.17 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.62 4.48 2.37 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 0.95 0.00 0.00 1.17 0.00 0.00 76 R 9.28 4.60 0.00 1.82 1.94 0.00 3.18 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 77 V 7.41 4.61 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 0.81 0.00 0.00 1.10 0.00 0.00 78 P 0.00 4.48 0.00 2.10 2.02 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 79 L 8.26 4.97 0.00 1.71 1.65 1.18 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.93 4.66 0.00 2.88 2.83 0.00 0.00 6.33 8.41 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 81 Q 8.34 3.94 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.67 0.00 82 N 8.09 4.34 0.00 2.81 3.05 0.00 0.00 7.15 7.74 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 83 Q 8.53 3.55 0.00 2.02 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.92 0.00 84 Y 8.14 4.01 0.00 3.09 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 85 D 8.71 4.36 0.00 2.88 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 86 A 8.25 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 87 M 8.40 4.05 0.00 1.82 2.11 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.23 2.84 0.00 88 C 8.03 3.73 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 89 S 7.87 4.03 0.00 3.93 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 0.00 90 L 7.99 3.92 0.00 1.65 1.49 0.66 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 91 I 7.77 3.50 1.51 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 -0.05 0.74 0.00 0.00 92 F 8.03 4.03 0.00 2.84 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 93 N 7.82 4.43 0.00 2.81 3.03 0.00 0.00 7.25 7.78 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 94 I 7.88 3.92 1.31 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.37 0.64 0.00 0.00 95 G 7.94 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 0.00 0.00 0.00 0.00 96 K 8.55 4.17 0.00 2.16 1.84 0.00 1.87 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.61 1.72 7.81 97 S 8.05 4.13 0.00 3.88 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 98 A 7.84 4.05 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 0.00 0.00 0.00 0.00 0.00 99 F 8.16 4.05 0.00 2.85 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 0.00 100 A 8.40 3.97 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 0.00 101 G 7.61 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 0.00 102 S 7.23 4.78 0.00 4.35 4.32 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 0.00 103 T 8.49 3.89 4.26 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 1.21 0.00 0.00 104 V 8.00 3.61 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 1.21 0.00 0.00 0.92 0.00 0.00 105 L 7.60 3.75 0.00 0.61 1.34 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 106 R 7.70 3.84 0.00 1.90 2.00 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 107 Q 8.31 3.97 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.52 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 108 L 8.13 3.78 0.00 2.00 1.87 1.20 1.23 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 0.00 109 N 8.04 4.53 0.00 2.81 2.85 0.00 0.00 7.12 7.32 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 0.00 110 L 7.22 4.31 0.00 1.75 1.67 0.90 0.85 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 0.00 111 K 7.77 3.21 0.00 1.87 1.98 0.00 1.88 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.36 7.81 112 N 7.60 4.76 0.00 2.94 2.77 0.00 0.00 7.08 6.80 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 0.00 113 Y 7.91 4.29 0.00 3.12 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 0.00 114 Q 8.34 4.07 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 115 A 8.10 4.01 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 0.00 116 A 8.14 3.95 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 0.00 117 A 8.03 3.43 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 0.00 118 D 8.38 4.37 0.00 2.87 2.75 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 0.00 119 A 8.25 4.21 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 0.00 120 F 8.42 4.23 0.00 3.21 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 0.00 121 L 7.98 4.34 0.00 1.75 1.77 0.95 1.14 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 0.00 122 L 7.74 4.03 0.00 1.29 1.29 0.79 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 123 W 7.82 4.60 0.00 3.47 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 0.00 124 K 7.66 4.50 0.00 1.94 2.18 0.00 1.50 0.00 0.00 1.88 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.61 7.81 125 K 7.91 4.78 0.00 1.73 1.74 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.64 7.81 126 A 8.46 4.64 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 0.00 127 G 8.49 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 0.00 128 K 8.75 4.28 0.00 1.76 1.84 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.42 7.81 129 D 7.98 4.83 0.00 2.68 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.47 0.00 2.21 2.16 0.00 3.77 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 1.99 1.95 0.00 131 D 8.53 4.92 0.00 2.82 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 I 8.01 3.65 1.89 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 1.44 0.84 0.99 0.00 0.00 133 L 8.28 4.47 0.00 2.03 1.76 1.06 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.19 4.00 0.00 1.82 1.79 0.97 0.95 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 0.00 135 P 0.00 4.26 0.00 2.22 2.11 0.00 3.85 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 2.14 2.17 0.00 136 R 8.01 3.94 0.00 1.93 2.16 0.00 3.25 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.91 0.00 137 R 8.32 4.11 0.00 2.12 2.16 0.00 3.73 0.00 0.00 3.56 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 138 R 8.44 3.97 0.00 2.01 2.00 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 139 R 8.16 3.94 0.00 2.05 2.00 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 140 E 8.51 3.99 0.00 2.34 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 0.00 2.45 2.52 0.00 141 R 8.27 3.23 0.00 1.73 2.05 0.00 3.18 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 142 A 7.89 3.97 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 0.00 143 L 8.04 4.02 0.00 1.78 1.87 0.92 0.82 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 0.00 144 F 8.19 4.13 0.00 2.82 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 0.00 145 L 7.80 4.40 0.00 1.71 1.73 0.95 1.21 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 0.00 146 S 7.82 4.43 0.00 4.02 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