NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1752 8.0549 120.3152 61.4472 32.7331 174.6437 2 L 4.2812 8.3419 123.9706 51.2979 43.1382 175.7159 3 S 4.3945 9.3522 117.9851 58.1051 66.0129 174.9246 4 E 4.2265 8.8513 123.0847 59.4350 29.4541 179.3134 5 G 3.6414 8.0693 105.4634 47.7054 0.0000 175.4532 6 E 3.8872 8.3359 121.2876 59.0166 29.4741 179.3233 7 W 4.5043 8.0726 118.9868 60.1935 29.1209 178.6228 8 Q 4.1411 8.3716 117.8626 58.9198 28.1065 178.8395 9 L 4.1154 8.0194 120.0437 57.5275 41.6224 179.4754 10 V 3.7560 8.2083 118.5749 66.3094 31.5469 177.9986 11 L 4.3436 8.3755 117.5354 56.7786 41.2936 178.9406 12 H 4.1911 8.1530 118.4300 59.5086 30.3613 177.2866 13 V 3.7229 8.1218 114.2929 64.1257 31.4613 178.4459 14 W 3.9191 8.6469 128.0162 60.1997 30.2602 177.8796 15 A 4.0315 7.7495 119.9633 54.8649 18.1394 179.3670 16 K 3.8530 7.6468 116.8847 59.5739 32.0387 179.5822 17 V 2.8429 7.0270 117.8489 65.6891 31.0604 177.3310 18 E 3.9638 7.3685 115.5967 57.7844 29.4263 178.1929 19 A 4.1767 7.4477 120.0094 53.0671 20.0158 176.9946 20 D 4.5148 7.8188 112.6087 51.9719 44.0338 175.8879 21 V 3.4225 7.6821 124.2641 65.9640 31.8666 176.6318 22 A 4.0110 7.9935 119.7109 55.2310 18.3119 179.5450 23 G 4.0919 8.1644 104.8660 47.8766 0.0000 175.3423 24 H 4.1539 8.6012 119.2235 58.2691 28.6607 178.0782 25 G 3.6336 8.4881 107.9511 47.8898 0.0000 175.6240 26 Q 3.9510 8.2810 121.0051 58.9625 28.8263 178.9572 27 D 4.3203 8.0162 119.5251 56.9145 40.6740 179.0804 28 I 3.6465 7.7273 120.6650 64.7319 37.0953 178.0840 29 H 3.5811 7.9674 116.9476 58.5614 28.2871 178.0988 30 I 3.5929 7.6118 121.6482 64.4442 36.9073 177.7778 31 R 3.7644 7.8216 119.2057 59.7516 29.7274 177.5887 32 L 3.8892 8.1208 119.5666 58.5015 42.2235 179.1391 33 F 4.4737 8.0170 117.4834 60.8523 38.7206 177.9331 34 K 4.1120 8.1273 116.6249 59.7258 31.9287 179.4093 35 S 4.2776 8.0865 114.4835 60.5227 64.0835 174.7211 36 H 4.8095 7.8348 118.4343 52.5734 29.9057 172.0413 37 P 4.6058 0.0000 0.0000 64.0954 31.3706 177.4346 38 E 4.0296 8.2927 116.5933 59.5536 29.2640 179.1514 39 T 3.5929 8.1469 117.1789 66.5931 68.7375 176.0945 40 L 3.6624 7.7333 121.9550 58.2053 41.6126 178.9150 41 E 4.0346 7.7260 117.7711 59.1556 29.4339 179.0749 42 K 4.2805 8.1408 117.6824 58.2910 33.5655 178.1955 43 H 4.6942 7.7978 118.5575 54.1961 25.7944 175.3402 44 D 4.2474 8.0214 123.3040 56.5669 41.3584 177.8086 45 R 4.3400 7.3435 112.7266 55.6722 29.7925 176.4360 46 F 5.1566 7.7022 116.7449 57.4308 40.8512 177.4682 47 K 3.8657 8.0375 120.1899 59.4342 31.8809 176.7247 48 H 4.7453 8.1085 110.5391 55.0345 28.9980 174.5011 49 L 4.1452 7.7210 121.4995 54.6254 41.9916 176.8509 50 K 4.2849 9.9402 123.9131 57.2262 33.4855 176.6013 51 T 4.7216 7.4910 110.9971 59.4696 71.4972 174.0445 52 E 4.2511 8.6076 121.9517 58.9329 29.3932 179.4539 53 A 4.1597 7.9117 120.7181 55.0380 18.3168 179.0766 54 E 3.8883 8.1275 115.3983 59.9429 29.9111 179.0635 55 M 4.1778 8.4888 118.5981 58.4746 31.8770 178.7498 56 K 3.8538 8.9497 117.3334 59.5749 32.4087 178.4457 57 A 4.4715 7.8771 117.0762 51.4546 18.6129 176.8838 58 S 4.4484 7.6897 114.8465 57.2211 62.8778 174.2760 59 E 3.9412 9.0763 128.3036 59.7770 29.1678 178.4508 60 D 4.5175 8.2977 117.2187 57.6742 41.1834 178.2268 61 L 2.9063 7.6986 119.9802 57.7506 42.0624 178.4508 62 K 3.7908 8.1454 119.9789 59.5741 32.1345 178.5752 63 K 3.9374 8.8418 119.2253 60.2620 32.3480 178.1172 64 H 4.3206 8.6030 119.6920 59.4001 29.7379 177.4772 65 G 3.6677 8.1229 107.0755 47.5742 0.0000 175.8364 66 V 3.6157 7.5941 120.0814 66.2216 31.6116 178.1014 67 T 3.9128 8.0243 115.5268 66.7066 68.3171 176.1752 68 E 3.9644 8.2672 120.9894 59.4416 29.7612 178.9196 69 L 4.2530 8.4162 119.3806 57.8594 41.6638 179.6464 70 T 3.9795 8.4735 116.2586 66.4938 68.4904 176.5900 71 A 3.9856 8.0008 122.6640 54.9971 18.4251 179.4009 72 L 3.6822 8.0561 118.9761 58.2047 42.1430 179.4831 73 G 3.1421 8.6146 105.7184 47.5515 0.0000 175.4513 74 A 4.0040 7.8833 122.2154 54.8515 18.6250 179.6699 75 I 3.7460 7.4304 118.0432 64.5839 37.2135 178.3267 76 L 3.9579 7.5998 119.7630 58.0829 41.2234 179.9342 77 K 3.9121 7.6705 116.6860 58.6816 32.1980 178.6405 78 K 3.9931 7.8817 117.4816 55.5872 32.6285 176.5702 79 K 2.0000 8.3317 118.3828 56.4579 29.7562 175.7480 80 G 3.9259 7.7711 106.1655 45.7853 0.0000 173.7723 81 H 4.5824 7.4353 121.2670 55.2175 28.1502 174.1685 82 H 5.0046 7.5227 114.4089 54.9314 29.9617 176.2924 83 E 3.9208 8.4068 123.6178 59.8620 29.6886 178.5223 84 A 4.1626 7.9977 120.3020 54.0364 19.1207 177.3913 85 E 4.6457 7.8302 113.0159 55.9079 32.0021 177.8346 86 L 3.8728 8.3774 121.3432 57.6955 41.9731 178.9599 87 K 3.9646 8.0734 118.6472 59.1625 32.1233 177.6824 88 P 4.3857 0.0000 0.0000 64.7662 31.2057 178.4905 89 L 4.0725 7.4153 118.0794 57.9335 42.0916 178.5654 90 A 4.3798 8.2453 120.8306 55.1050 18.2828 179.4090 91 Q 4.0275 8.2405 118.5393 59.4807 29.1432 178.6790 92 S 4.2131 8.0500 114.7939 61.5305 63.3270 176.0682 93 H 4.2903 9.0211 120.0681 58.1851 28.3139 177.6282 94 A 3.1856 8.8700 123.3639 54.3110 18.9268 179.6181 95 T 4.6244 7.2684 105.3023 60.1226 69.3138 174.1986 96 K 4.5158 7.4501 121.9645 58.4677 40.3500 176.9701 97 H 4.1639 6.2549 123.3562 57.4929 30.1265 175.6803 98 K 3.7232 7.7866 115.9354 57.0697 28.1955 176.6845 99 I 4.2147 7.5794 118.8530 59.0411 38.0648 175.1554 100 P 4.4961 0.0000 0.0000 62.1367 31.9942 177.7179 101 I 3.7547 9.0158 123.1443 64.6100 36.9589 178.6226 102 K 4.4708 7.8991 121.1445 59.2314 31.8397 178.1226 103 Y 4.1585 8.2738 116.9115 60.4658 37.6904 177.9574 104 L 4.3142 8.2003 120.4900 57.1601 41.7031 179.1701 105 E 4.0119 7.9443 118.3900 59.3993 29.6310 178.7054 106 F 4.5203 8.0466 117.9061 61.1671 38.9748 177.8338 107 I 3.8700 8.0805 117.8075 64.1072 37.7756 178.0283 108 S 4.2258 8.4672 116.3168 61.3839 62.4821 176.6068 109 E 4.0088 8.8064 121.6810 59.4469 29.2909 178.9770 110 A 4.0200 7.9871 120.6170 55.2807 18.2767 179.7449 111 I 3.6591 8.0835 118.2386 64.6032 37.2105 178.5077 112 I 3.9214 7.8365 120.4984 64.8876 37.0335 177.6615 113 H 4.0972 8.5222 119.0665 59.6320 29.6282 177.3546 114 V 3.5318 8.4791 120.0009 65.7830 31.3366 177.9280 115 L 3.7412 8.0307 119.0519 57.9267 41.1343 178.8545 116 H 4.3161 8.0901 116.8371 59.6378 29.9094 176.9374 117 S 4.1922 7.8844 113.4785 61.0144 62.2349 175.5782 118 R 4.1450 7.7416 119.4905 57.0274 31.4819 176.4564 119 H 5.0325 8.5295 115.1364 53.8695 29.6376 172.7757 120 P 4.1884 0.0000 0.0000 65.9450 31.5882 179.5371 121 G 3.8988 8.1636 106.5200 47.2623 0.0000 173.5414 122 D 4.9728 7.8800 117.7984 54.0513 41.6815 176.6079 123 F 4.9455 8.4605 120.8196 56.2282 39.6384 174.0706 124 G 3.9195 7.6354 109.1212 43.6955 0.0000 171.8725 125 A 3.8622 8.4041 120.7374 55.4087 18.3421 179.3822 126 D 4.2276 8.1078 116.4708 57.5900 40.8955 179.0935 127 A 3.9139 7.7510 120.2464 55.2057 18.5426 179.1193 128 Q 3.1793 7.8884 117.0770 59.0346 28.7772 179.6482 129 G 3.6788 8.4028 106.3311 47.9164 0.0000 175.4217 130 A 3.8161 7.8172 123.0959 55.0351 18.3784 179.3369 131 M 4.0366 8.1586 116.7731 58.8381 32.3030 178.0510 132 N 4.3504 8.2067 116.5862 56.3116 38.7391 177.3589 133 K 3.8324 7.8885 119.4728 59.4194 32.1420 179.2118 134 A 3.8708 8.1486 121.2217 55.2890 18.3528 179.7364 135 L 4.1817 8.4035 117.9436 57.4797 41.6259 179.4103 136 E 4.0723 8.7675 118.2672 58.8588 29.5065 179.0291 137 L 3.9241 7.9175 121.5830 57.9827 42.2406 178.2331 138 F 4.1538 8.3922 120.7641 61.9542 39.3157 177.6108 139 R 3.4755 8.1933 116.9979 58.5027 29.7719 179.2784 140 K 3.8594 8.2416 118.9184 59.7139 32.0415 179.1620 141 D 4.3340 8.2079 119.2415 57.1921 40.6772 178.6741 142 I 3.4803 7.5680 119.0488 63.3025 37.8269 177.6870 143 A 3.6071 7.4460 121.4299 55.0662 18.1153 179.1548 144 A 3.9247 7.7858 119.1222 55.5893 18.1332 180.1132 145 K 4.1236 7.4893 115.3263 59.6031 32.3411 178.6495 146 Y 4.5898 8.5402 117.5004 61.4195 37.8188 179.2345 147 K 3.9947 8.1865 118.9469 59.6218 31.9759 179.2238 148 E 3.9684 7.8246 117.3327 58.8674 29.4074 178.4595 149 L 4.4224 7.3816 116.1113 53.4586 42.2974 177.2944 150 G 3.5270 7.2917 105.6744 45.6006 0.0000 172.5641 151 Y 3.5413 7.7490 114.1267 58.9134 36.6529 171.9383 152 Q 4.4758 8.4504 122.8044 54.5495 31.3678 176.1630 153 G 4.0281 8.7320 106.7009 46.7566 0.0000 173.4118 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 V 8.05 4.18 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 0.93 0.00 0.00 1.02 0.00 0.00 2 L 8.34 4.28 0.00 0.75 0.44 0.47 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.35 4.39 0.00 4.00 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 4 E 8.85 4.23 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 5 G 8.07 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 6 E 8.34 3.89 0.00 1.85 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 0.00 2.20 2.25 0.00 7 W 8.07 4.50 0.00 3.53 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 8 Q 8.37 4.14 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.67 0.00 9 L 8.02 4.12 0.00 1.92 1.77 0.90 0.74 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 10 V 8.21 3.76 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 1.22 0.00 0.00 0.96 0.00 0.00 11 L 8.38 4.34 0.00 1.84 1.79 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.15 4.19 0.00 3.28 3.63 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.12 3.72 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 1.28 0.00 0.00 1.31 0.00 0.00 14 W 8.65 3.92 0.00 3.58 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 15 A 7.75 4.03 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 16 K 7.65 3.85 0.00 1.65 1.25 0.00 1.57 0.00 0.00 1.46 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.38 7.81 17 V 7.03 2.84 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 0.00 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 18 E 7.37 3.96 0.00 2.08 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 2.24 2.38 0.00 19 A 7.45 4.18 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.82 4.51 0.00 2.63 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 21 V 7.68 3.42 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 0.86 0.00 0.00 0.86 0.00 0.00 22 A 7.99 4.01 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 G 8.16 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 24 H 8.60 4.15 0.00 3.14 3.20 0.00 5.63 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 25 G 8.49 3.63 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 0.00 26 Q 8.28 3.95 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 27 D 8.02 4.32 0.00 2.64 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 28 I 7.73 3.65 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.89 0.82 0.00 0.00 29 H 7.97 3.58 0.00 3.08 2.56 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.61 3.59 1.80 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 1.40 0.82 0.91 0.00 0.00 31 R 7.82 3.76 0.00 2.04 2.08 0.00 3.10 0.00 0.00 3.08 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 32 L 8.12 3.89 0.00 1.76 1.61 1.05 1.38 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 33 F 8.02 4.47 0.00 3.17 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 34 K 8.13 4.11 0.00 1.83 1.86 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.63 7.81 35 S 8.09 4.28 0.00 3.45 3.48 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 36 H 7.83 4.81 0.00 3.04 3.10 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.61 0.00 2.16 2.10 0.00 3.88 0.00 0.00 3.74 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 38 E 8.29 4.03 0.00 2.31 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 2.36 2.69 0.00 39 T 8.15 3.59 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 40 L 7.73 3.66 0.00 0.76 1.64 0.34 0.85 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 41 E 7.73 4.03 0.00 2.03 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 0.00 2.58 2.51 0.00 42 K 8.14 4.28 0.00 1.86 1.96 0.00 1.96 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.71 1.94 7.81 43 H 7.80 4.69 0.00 3.55 3.50 0.00 5.82 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 44 D 8.02 4.25 0.00 2.55 2.65 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 0.00 0.00 0.00 0.00 45 R 7.34 4.34 0.00 1.59 1.80 0.00 2.31 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.06 0.00 46 F 7.70 5.16 0.00 3.13 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 47 K 8.04 3.87 0.00 1.89 1.90 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.45 7.81 48 H 8.11 4.75 0.00 3.27 3.37 0.00 5.52 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.72 4.15 0.00 1.65 1.62 0.66 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.94 4.28 0.00 1.68 1.84 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.49 7.81 51 T 7.49 4.72 4.24 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 0.00 0.00 1.26 0.00 0.00 52 E 8.61 4.25 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 2.42 2.38 0.00 53 A 7.91 4.16 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.13 3.89 0.00 2.14 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 2.31 2.41 0.00 55 M 8.49 4.18 0.00 2.03 2.31 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 2.78 2.66 0.00 56 K 8.95 3.85 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.52 7.81 57 A 7.88 4.47 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 58 S 7.69 4.45 0.00 3.90 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 59 E 9.08 3.94 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 60 D 8.30 4.52 0.00 2.90 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 61 L 7.70 2.91 0.00 1.41 1.52 0.88 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.15 3.79 0.00 1.88 1.96 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 63 K 8.84 3.94 0.00 2.03 2.10 0.00 1.47 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.69 7.81 64 H 8.60 4.32 0.00 3.54 3.47 0.00 5.79 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 65 G 8.12 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.59 3.62 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 1.11 0.00 0.00 0.93 0.00 0.00 67 T 8.02 3.91 4.51 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 1.30 0.00 0.00 68 E 8.27 3.96 0.00 2.22 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 0.00 2.38 2.45 0.00 69 L 8.42 4.25 0.00 1.90 1.87 1.03 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.47 3.98 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 1.25 0.00 0.00 71 A 8.00 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 72 L 8.06 3.68 0.00 1.61 1.76 0.23 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.61 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.88 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.43 3.75 1.81 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 1.50 0.86 0.86 0.00 0.00 76 L 7.60 3.96 0.00 1.41 1.61 0.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.67 3.91 0.00 1.79 1.80 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.57 7.81 78 K 7.88 3.99 0.00 1.79 1.84 0.00 1.79 0.00 0.00 1.65 0.00 0.00 3.24 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.53 7.81 79 K 8.33 2.00 0.00 1.10 0.74 0.00 1.29 0.00 0.00 1.52 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.60 1.05 7.81 80 G 7.77 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 81 H 7.44 4.58 0.00 3.10 3.17 0.00 5.72 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.52 5.00 0.00 3.27 3.37 0.00 5.53 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.41 3.92 0.00 2.03 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 2.38 2.31 0.00 84 A 8.00 4.16 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.83 4.65 0.00 1.96 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 2.27 2.19 0.00 86 L 8.38 3.87 0.00 1.97 1.64 1.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.07 3.96 0.00 2.05 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.48 7.81 88 P 0.00 4.39 0.00 2.19 2.13 0.00 3.74 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 2.27 2.15 0.00 89 L 7.42 4.07 0.00 1.86 1.85 0.83 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.25 4.38 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 91 Q 8.24 4.03 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 92 S 8.05 4.21 0.00 4.07 4.15 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 93 H 9.02 4.29 0.00 3.60 3.66 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 94 A 8.87 3.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.27 4.62 4.24 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 0.00 0.00 1.17 0.00 0.00 96 K 7.45 4.52 0.00 1.78 1.38 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.46 7.81 97 H 6.25 4.16 0.00 3.08 3.32 0.00 5.77 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.79 3.72 0.00 1.87 1.81 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.34 7.81 99 I 7.58 4.21 2.10 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 1.43 1.00 1.20 0.00 0.00 100 P 0.00 4.50 0.00 1.72 1.82 0.00 2.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.78 0.00 101 I 9.02 3.75 1.85 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.90 0.84 0.00 0.00 102 K 7.90 4.47 0.00 1.70 1.60 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 0.34 7.81 103 Y 8.27 4.16 0.00 3.19 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 0.00 104 L 8.20 4.31 0.00 1.93 1.76 1.12 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.94 4.01 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 106 F 8.05 4.52 0.00 3.19 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 0.00 107 I 8.08 3.87 2.13 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 1.12 0.00 0.00 108 S 8.47 4.23 0.00 4.15 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 0.00 109 E 8.81 4.01 0.00 2.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.68 0.00 110 A 7.99 4.02 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 0.00 111 I 8.08 3.66 2.12 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 1.63 0.87 1.09 0.00 0.00 112 I 7.84 3.92 2.16 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.88 1.11 0.00 0.00 113 H 8.52 4.10 0.00 3.30 3.48 0.00 5.58 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 0.00 114 V 8.48 3.53 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 0.90 0.00 0.00 0.93 0.00 0.00 115 L 8.03 3.74 0.00 1.45 0.17 0.81 1.07 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 0.00 116 H 8.09 4.32 0.00 3.60 3.56 0.00 5.76 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.88 4.19 0.00 3.97 3.78 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 0.00 118 R 7.74 4.15 0.00 1.54 1.51 0.00 2.75 0.00 0.00 2.99 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 119 H 8.53 5.03 0.00 3.10 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.19 0.00 2.18 2.20 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 121 G 8.16 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 0.00 0.00 0.00 122 D 7.88 4.97 0.00 2.67 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 0.00 123 F 8.46 4.95 0.00 2.96 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 0.00 124 G 7.64 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.40 3.86 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.11 4.23 0.00 2.68 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 0.00 127 A 7.75 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 0.00 128 Q 7.89 3.18 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 129 G 8.40 3.68 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 0.00 0.00 0.00 130 A 7.82 3.82 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 0.00 131 M 8.16 4.04 0.00 2.50 2.39 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.96 0.00 132 N 8.21 4.35 0.00 2.99 2.85 0.00 0.00 7.02 7.49 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 0.00 133 K 7.89 3.83 0.00 1.86 1.65 0.00 1.63 0.00 0.00 1.51 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.48 7.81 134 A 8.15 3.87 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 0.00 135 L 8.40 4.18 0.00 1.76 1.85 1.01 0.63 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 0.00 136 E 8.77 4.07 0.00 2.15 2.23 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 2.41 2.34 0.00 137 L 7.92 3.92 0.00 1.94 2.05 1.04 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.39 4.15 0.00 3.12 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 0.00 139 R 8.19 3.48 0.00 1.85 1.83 0.00 3.15 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.89 0.00 140 K 8.24 3.86 0.00 1.95 1.82 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.61 7.81 141 D 8.21 4.33 0.00 2.80 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 0.00 142 I 7.57 3.48 1.25 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 1.17 1.04 -0.03 0.00 0.00 143 A 7.45 3.61 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.79 3.92 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 0.00 145 K 7.49 4.12 0.00 1.85 1.91 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.58 7.81 146 Y 8.54 4.59 0.00 3.12 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 0.00 147 K 8.19 3.99 0.00 2.04 1.86 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.56 7.81 148 E 7.82 3.97 0.00 2.03 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 2.59 0.00 149 L 7.38 4.42 0.00 1.54 1.64 1.02 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.29 3.53 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 0.00 0.00 0.00 151 Y 7.75 3.54 0.00 3.01 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 0.00 152 Q 8.45 4.48 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 153 G 8.73 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