NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3874 8.2649 123.5853 51.4103 20.9394 175.2251 2 P 3.2701 0.0000 0.0000 63.0639 31.3933 171.7870 3 V 4.1930 9.3967 121.0913 61.0999 34.7171 176.1647 4 R 4.6691 8.4840 122.8154 55.4053 31.8871 175.5025 5 S 5.6348 8.6522 117.6672 57.1353 67.7214 173.0853 6 L 4.8754 8.7331 120.2880 54.6727 44.1424 174.7683 7 N 5.4125 8.8689 119.0881 53.0866 40.6384 173.6854 8 C 5.2091 8.7807 116.2953 58.1829 33.6339 172.3926 9 T 5.1247 8.9069 109.3085 59.8809 71.8235 172.8159 10 L 5.3470 8.6316 121.5350 53.1939 45.0684 176.1761 11 R 5.0562 8.8325 120.6249 54.3572 34.4462 175.0389 12 D 4.4847 8.8146 123.5602 52.4449 40.9845 177.1591 13 S 4.2953 8.1563 111.9582 59.7904 62.8867 174.7456 14 Q 4.3995 7.9301 118.8403 55.5774 28.8812 175.3590 15 Q 3.6848 8.0269 115.5871 56.7650 26.8130 173.3984 16 K 4.2521 8.1433 117.6232 56.1114 33.5759 176.9928 17 S 4.9362 8.9700 120.5680 57.7757 65.3273 172.8373 18 L 5.3178 8.3711 120.8010 53.3855 44.1705 176.1495 19 V 4.7576 8.4928 115.1685 59.6036 36.6385 174.5036 20 M 4.0619 8.4629 122.3461 56.1792 31.9519 175.2347 21 S 4.1289 9.8488 121.7036 58.2227 61.9638 177.2889 22 G 4.2908 7.7504 113.1127 43.6873 0.0000 171.7591 23 P 4.0314 0.0000 0.0000 64.7223 31.6057 176.3325 24 Y 4.9105 7.2012 116.0548 57.2171 39.1816 174.3902 25 E 4.8788 7.9643 119.2858 54.8223 33.6921 173.5816 26 L 5.3099 8.6073 123.4050 53.0182 45.3584 175.5021 27 K 5.2131 9.1130 120.0987 54.6191 36.9848 174.8668 28 A 5.4571 8.8283 124.1205 50.1803 21.4934 175.5474 29 L 4.8994 8.6404 121.7463 54.2416 44.7899 175.3494 30 H 4.6538 9.9181 118.5111 55.6829 28.6686 174.8255 31 L 4.8193 8.0812 124.5670 53.4121 45.1346 174.8498 32 Q 4.5092 8.6001 120.9780 56.5353 32.4921 176.0825 33 G 3.8539 8.4936 110.3998 46.7218 0.0000 175.9704 34 Q 4.0620 8.6325 122.8298 58.9479 29.4497 177.1347 35 D 4.6706 8.0531 114.9240 55.5354 41.0938 177.3345 36 M 4.1701 7.8643 120.7956 57.8507 32.4336 177.3145 37 E 4.3285 8.0155 115.6054 57.3318 29.8599 177.4408 38 Q 4.1386 7.5007 117.8247 57.8176 29.1493 176.8358 39 Q 4.3170 7.4332 115.7291 55.8861 29.1279 176.1436 40 V 3.6180 8.4142 121.4571 62.8034 32.5247 175.2205 41 V 4.3229 8.0079 127.1676 61.3793 33.3448 174.4625 42 F 4.8539 9.1331 127.1356 56.3671 41.5652 175.1861 43 S 4.9083 9.1696 117.3810 56.8967 63.8111 171.9172 44 M 4.6887 9.3060 128.3601 54.7047 33.3838 174.7296 45 S 5.1665 8.8661 122.6246 57.0041 65.9012 173.8050 46 F 4.6625 9.0785 124.0347 56.7373 38.0274 176.0577 47 V 4.2938 7.8187 117.7891 60.0400 33.3771 175.2192 48 Q 4.3048 8.9775 123.5667 54.9785 29.7755 175.6354 49 G 4.0155 8.1559 113.2287 44.8422 0.0000 171.2110 50 E 4.0243 8.2991 120.8860 55.8970 29.7976 175.3758 51 E 4.9978 8.5827 126.4770 54.6059 32.5378 174.2995 52 S 4.6441 8.4532 116.2754 57.2726 65.9978 173.6595 53 N 4.5314 8.7641 116.8059 55.6033 38.5029 175.6085 54 D 4.9430 8.2986 115.6755 52.5152 41.4008 175.4385 55 K 4.8331 8.0471 120.5342 55.1617 35.1624 174.4788 56 I 4.9169 8.6274 129.4008 58.5027 39.9459 173.5413 57 P 4.9436 0.0000 0.0000 63.0168 32.4556 175.8493 58 V 5.0006 9.3496 116.4013 59.4860 36.5610 174.0318 59 A 5.3576 8.8875 123.2511 50.2770 22.4581 175.5880 60 L 4.7451 8.9267 120.4468 53.1686 44.3845 175.8692 61 G 3.8116 8.7238 111.1351 43.7727 0.0000 170.9186 62 L 4.3853 8.0122 120.7227 52.9351 43.1484 176.8889 63 K 3.9075 8.6850 125.9829 57.7864 32.3615 175.9140 64 E 3.8629 8.9365 122.8159 56.9782 28.3491 174.0314 65 K 4.5556 7.7179 116.9327 55.3956 36.0930 176.6294 66 N 4.8672 8.4278 121.4090 52.5791 36.3763 174.7767 67 L 5.3856 7.2696 118.0802 54.0464 46.2986 177.0139 68 Y 5.1064 9.0675 120.5092 55.8020 42.2195 174.9358 69 L 4.8354 8.9564 122.9327 55.1809 43.0640 176.1943 70 S 4.9968 9.5364 117.2921 56.8850 66.5731 172.1895 71 C 5.3973 8.7497 123.3285 58.3049 29.7874 173.8241 72 V 4.6955 8.6670 116.4749 59.3708 36.1374 174.7525 73 L 4.5064 8.4930 122.9602 54.2495 42.8465 176.8095 74 K 4.2821 8.7034 122.9976 55.5033 35.4229 176.1083 75 D 4.3824 9.2945 125.0665 56.1140 39.7404 172.8142 76 D 4.3051 7.8852 112.2268 54.3007 38.8713 174.6316 77 K 4.1552 7.2968 116.5072 54.4858 36.7237 173.5803 78 P 3.8314 0.0000 0.0000 62.9290 31.6146 175.8423 79 T 4.7670 8.5396 119.9973 61.7296 73.1333 172.6248 80 L 5.2903 8.6651 126.5747 54.3126 43.6409 175.3513 81 Q 4.7705 9.0008 122.0775 55.1547 32.6748 172.8769 82 L 5.1649 8.5839 119.8996 53.3875 43.4246 175.7260 83 E 4.8449 9.4870 124.3611 54.4161 33.3140 174.7246 84 S 5.0805 8.7794 121.5903 58.5163 63.8969 173.7568 85 V 4.4803 8.2392 116.0928 58.9581 35.9356 174.9989 86 D 4.4137 8.6614 121.7620 53.8695 41.1856 175.3797 87 P 4.5074 0.0000 0.0000 64.6558 31.5208 177.1404 88 K 4.2837 8.4725 117.7366 58.0851 33.2370 177.1752 89 N 4.6289 7.9594 114.9571 53.4947 39.1020 174.3452 90 Y 4.6043 7.6616 115.1207 55.0259 41.5763 173.4250 91 P 4.6393 0.0000 0.0000 62.3273 32.4631 175.3906 92 K 4.6065 7.8106 117.0666 54.5617 35.7473 176.3546 93 K 4.0447 8.5493 120.7017 58.5629 32.4060 175.9542 94 K 4.4359 7.5162 120.3057 54.7770 31.0468 174.8341 95 M 4.3923 7.8949 122.0990 53.9468 33.3813 176.4534 96 E 4.1857 8.8626 120.9288 56.0371 30.6186 178.0252 97 K 3.7642 8.7623 123.3312 59.5379 32.4429 179.0466 98 R 3.6719 7.7094 114.6387 58.5683 29.2745 177.9293 99 F 4.7770 7.5493 114.9618 57.5103 39.6402 175.5713 100 V 4.3691 7.4005 122.4586 61.8576 32.8225 174.6824 101 F 5.2553 9.2220 126.4622 55.7204 42.6631 174.0590 102 N 5.0021 9.7094 121.8117 52.3376 39.9646 174.2114 103 K 4.3849 9.5489 127.6628 55.4571 33.6717 175.3291 104 I 5.4320 8.1614 129.4848 58.9074 39.3352 175.0945 105 E 4.4394 8.8720 128.0772 57.3913 29.4119 175.7205 106 I 4.0319 9.0344 121.2121 61.2780 39.0945 178.2356 107 N 4.5922 9.3910 115.0638 53.6836 38.1496 175.1688 108 N 4.9281 9.3826 122.1449 53.7449 40.4228 172.4444 109 K 4.8995 7.6933 115.9633 55.1585 35.3798 174.8863 110 L 5.1844 8.8323 121.4165 53.1047 45.1282 175.6123 111 E 5.1518 8.6876 120.4931 54.6296 33.8837 175.2187 112 F 5.0858 8.9665 121.0214 55.9407 41.5913 173.4100 113 E 4.7939 9.0729 125.7529 54.3365 31.4567 175.2170 114 S 4.2540 9.0962 122.0734 58.4754 62.4233 174.1104 115 A 4.0090 8.5423 129.5745 55.0119 18.2726 178.8727 116 Q 3.5653 7.8268 115.7045 58.2333 29.4051 175.8703 117 F 4.7937 7.5763 118.5485 53.9768 39.1860 171.7702 118 P 4.4730 0.0000 0.0000 64.3283 31.6909 176.2421 119 N 4.1316 9.8819 119.1221 53.6008 36.8022 173.5539 120 W 4.8147 7.9258 119.1165 55.2676 31.3791 174.8212 121 Y 5.5231 9.3322 122.0237 55.8447 41.8486 175.0541 122 I 4.3255 8.8094 123.3664 61.8843 37.6618 175.8988 123 S 5.1430 9.1073 122.9135 56.8413 67.3865 173.0186 124 T 5.0607 8.5615 111.0751 60.1933 72.3735 173.2914 125 S 4.9785 8.7280 118.1145 57.6047 64.2353 174.8421 126 Q 4.0450 8.7591 120.1511 58.9258 28.7615 177.6026 127 A 4.1888 7.7067 118.8670 51.7152 18.2244 176.5810 128 E 4.1253 8.5807 120.8157 56.8506 30.5360 175.9157 129 N 4.1320 8.2132 120.1348 55.1068 38.3181 173.6508 130 M 4.8101 7.1603 111.3173 52.6277 35.1913 174.8194 131 P 5.0524 0.0000 0.0000 62.5727 32.5187 176.3057 132 V 4.3109 8.7445 123.3655 62.9885 32.3756 175.0759 133 F 5.1376 8.6771 121.3014 55.4314 42.3204 172.6626 134 L 4.9962 8.9711 121.3434 54.1415 42.7381 175.5642 135 G 4.2764 9.4885 114.6805 44.3166 0.0000 173.4986 136 G 2.5577 7.8805 111.5858 44.2370 0.0000 173.5842 137 T 4.3590 7.2395 109.7051 60.0162 70.8734 173.5497 138 K 4.1821 8.5433 126.0152 56.2093 33.5857 176.6235 139 G 3.9771 9.0317 108.2052 46.0753 0.0000 173.4203 140 G 4.0812 7.2608 111.8565 44.0885 0.0000 174.4829 141 Q 4.0920 9.1563 121.9653 59.0687 28.6085 177.0362 142 D 4.6943 7.8025 115.9580 54.0089 42.0056 175.7056 143 I 4.3319 8.2520 123.0799 60.4818 38.4713 176.2813 144 T 5.0313 8.5196 115.1827 61.0613 70.1938 173.1468 145 D 5.4128 7.7204 121.7608 51.9558 42.8510 174.7098 146 F 5.5399 9.4455 118.6206 56.1248 44.1468 173.4819 147 T 5.0559 9.0836 109.3901 60.2510 71.9367 172.6046 148 M 5.1708 8.6724 121.7678 53.9332 35.2785 174.6263 149 Q 4.7587 8.8066 123.2329 54.1386 32.2600 174.6713 150 F 4.9456 9.2684 122.8658 57.0720 39.8513 175.4633 151 V 4.6897 8.4459 115.7259 59.1398 34.9390 176.8635 152 S 4.2892 8.8157 115.9162 58.5845 62.8393 174.2043 153 S 4.1078 7.6892 120.8527 59.1766 63.6301 170.8249 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 A 8.26 4.39 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 2 P 0.00 3.27 0.00 2.15 1.85 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 3 V 9.40 4.19 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 0.81 0.00 0.00 1.09 0.00 0.00 4 R 8.48 4.67 0.00 1.90 1.96 0.00 3.07 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 5 S 8.65 5.63 0.00 3.78 3.80 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 6 L 8.73 4.88 0.00 1.96 1.92 1.02 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.87 5.41 0.00 2.72 2.79 0.00 0.00 6.66 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 8 C 8.78 5.21 0.00 2.90 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.91 5.12 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 10 L 8.63 5.35 0.00 1.49 1.55 -0.29 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.83 5.06 0.00 1.95 1.80 0.00 3.27 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.60 0.00 12 D 8.81 4.48 0.00 2.10 2.35 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 13 S 8.16 4.30 0.00 3.96 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 14 Q 7.93 4.40 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 15 Q 8.03 3.68 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 16 K 8.14 4.25 0.00 1.93 1.64 0.00 1.53 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.83 1.21 7.81 17 S 8.97 4.94 0.00 3.78 3.79 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 18 L 8.37 5.32 0.00 1.67 1.63 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.49 4.76 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 0.74 0.00 0.00 0.93 0.00 0.00 20 M 8.46 4.06 0.00 1.82 1.93 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 21 S 9.85 4.13 0.00 3.80 3.74 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 22 G 7.75 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.03 0.00 1.28 1.91 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 24 Y 7.20 4.91 0.00 3.20 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 25 E 7.96 4.88 0.00 2.06 1.76 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 2.34 2.42 0.00 26 L 8.61 5.31 0.00 1.67 1.57 1.09 0.78 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 27 K 9.11 5.21 0.00 1.67 1.68 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.38 7.81 28 A 8.83 5.46 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 29 L 8.64 4.90 0.00 1.90 1.73 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 30 H 9.92 4.65 0.00 3.21 3.32 0.00 5.79 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.08 4.82 0.00 1.71 1.51 0.94 0.76 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 32 Q 8.60 4.51 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.68 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 33 G 8.49 3.85 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 0.00 0.00 0.00 34 Q 8.63 4.06 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.98 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 35 D 8.05 4.67 0.00 2.83 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 36 M 7.86 4.17 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 37 E 8.02 4.33 0.00 1.99 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 0.00 2.54 2.31 0.00 38 Q 7.50 4.14 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 39 Q 7.43 4.32 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.84 0.00 0.00 0.00 0.00 0.00 2.59 2.28 0.00 40 V 8.41 3.62 1.76 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 -0.04 0.00 0.00 0.78 0.00 0.00 41 V 8.01 4.32 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 0.94 0.00 0.00 0.88 0.00 0.00 42 F 9.13 4.85 0.00 2.96 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.17 4.91 0.00 3.80 3.71 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 44 M 9.31 4.69 0.00 2.02 1.79 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 2.32 1.92 0.00 45 S 8.87 5.17 0.00 3.85 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 46 F 9.08 4.66 0.00 3.00 3.13 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 47 V 7.82 4.29 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 0.69 0.00 0.00 0.97 0.00 0.00 48 Q 8.98 4.30 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.10 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 49 G 8.16 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 0.00 0.00 0.00 50 E 8.30 4.02 0.00 1.94 1.88 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 2.30 2.31 0.00 51 E 8.58 5.00 0.00 1.97 1.80 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 2.21 2.43 0.00 52 S 8.45 4.64 0.00 3.97 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.76 4.53 0.00 2.75 2.93 0.00 0.00 6.59 8.06 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 54 D 8.30 4.94 0.00 2.73 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 55 K 8.05 4.83 0.00 1.82 1.70 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.46 7.81 56 I 8.63 4.92 2.02 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 1.36 1.27 1.21 0.00 0.00 57 P 0.00 4.94 0.00 2.16 2.22 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 58 V 9.35 5.00 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 0.40 0.00 0.00 1.10 0.00 0.00 59 A 8.89 5.36 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 60 L 8.93 4.75 0.00 1.43 1.31 -0.38 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.72 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 4.39 0.00 1.41 1.35 0.83 0.76 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 63 K 8.68 3.91 0.00 1.67 1.65 0.00 1.94 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.50 7.81 64 E 8.94 3.86 0.00 2.23 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 0.00 2.12 2.25 0.00 65 K 7.72 4.56 0.00 1.58 1.59 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.23 7.81 66 N 8.43 4.87 0.00 2.98 3.04 0.00 0.00 5.99 6.67 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 67 L 7.27 5.39 0.00 1.43 1.53 0.79 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 9.07 5.11 0.00 2.85 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 0.00 69 L 8.96 4.84 0.00 1.78 1.76 0.60 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 70 S 9.54 5.00 0.00 3.99 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 C 8.75 5.40 0.00 2.84 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 72 V 8.67 4.70 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 0.70 0.00 0.00 0.91 0.00 0.00 73 L 8.49 4.51 0.00 1.49 1.49 0.97 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.70 4.28 0.00 1.64 1.62 0.00 1.80 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.30 7.81 75 D 9.29 4.38 0.00 2.74 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 76 D 7.89 4.31 0.00 2.78 2.64 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 77 K 7.30 4.16 0.00 1.87 1.48 0.00 1.52 0.00 0.00 1.48 0.00 0.00 3.15 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.38 7.81 78 P 0.00 3.83 0.00 0.49 0.49 0.00 2.50 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.52 0.00 79 T 8.54 4.77 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 1.23 0.00 0.00 80 L 8.67 5.29 0.00 1.80 1.70 1.19 0.72 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 81 Q 9.00 4.77 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 82 L 8.58 5.16 0.00 1.92 1.86 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 83 E 9.49 4.84 0.00 2.05 1.95 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 2.44 2.34 0.00 84 S 8.78 5.08 0.00 3.86 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 85 V 8.24 4.48 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 0.00 0.00 -0.06 0.00 0.00 0.62 0.00 0.00 86 D 8.66 4.41 0.00 2.80 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 87 P 0.00 4.51 0.00 2.26 2.21 0.00 3.85 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 88 K 8.47 4.28 0.00 1.90 2.00 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.43 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.70 1.42 7.81 89 N 7.96 4.63 0.00 2.80 2.69 0.00 0.00 6.77 8.61 0.00 0.00 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 Y 7.66 4.60 0.00 2.87 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 91 P 0.00 4.64 0.00 2.24 2.25 0.00 3.79 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 92 K 7.81 4.61 0.00 1.66 1.51 0.00 1.28 0.00 0.00 1.07 0.00 0.00 2.68 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.76 1.21 7.81 93 K 8.55 4.04 0.00 1.82 1.83 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.46 7.81 94 K 7.52 4.44 0.00 1.69 1.66 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.47 7.81 95 M 7.89 4.39 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 96 E 8.86 4.19 0.00 2.17 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 97 K 8.76 3.76 0.00 1.72 1.66 0.00 1.52 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.31 7.81 98 R 7.71 3.67 0.00 1.91 1.88 0.00 2.62 0.00 0.00 3.02 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 99 F 7.55 4.78 0.00 3.21 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 0.00 100 V 7.40 4.37 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 1.02 0.00 0.00 1.02 0.00 0.00 101 F 9.22 5.26 0.00 3.10 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 0.00 102 N 9.71 5.00 0.00 2.67 2.79 0.00 0.00 6.42 5.12 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 0.00 103 K 9.55 4.38 0.00 1.85 1.85 0.00 1.62 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.25 0.81 7.81 104 I 8.16 5.43 1.87 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.25 0.93 0.00 0.00 105 E 8.87 4.44 0.00 1.86 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 2.31 2.30 0.00 106 I 9.03 4.03 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.71 0.89 0.00 0.00 107 N 9.39 4.59 0.00 2.79 2.26 0.00 0.00 6.53 8.00 0.00 0.00 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 N 9.38 4.93 0.00 2.64 2.76 0.00 0.00 6.76 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 0.00 109 K 7.69 4.90 0.00 1.80 1.67 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.52 7.81 110 L 8.83 5.18 0.00 1.56 1.08 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.69 5.15 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.18 0.00 112 F 8.97 5.09 0.00 2.78 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 9.07 4.79 0.00 2.02 1.78 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 2.05 1.47 0.00 114 S 9.10 4.25 0.00 4.03 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.54 4.01 1.16 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 0.00 0.00 116 Q 7.83 3.57 0.00 1.51 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.04 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 117 F 7.58 4.79 0.00 3.05 2.62 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 0.00 118 P 0.00 4.47 0.00 2.11 2.05 0.00 3.88 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 119 N 9.88 4.13 0.00 2.89 3.00 0.00 0.00 6.90 5.12 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 0.00 120 W 7.93 4.81 0.00 3.62 3.26 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 0.00 121 Y 9.33 5.52 0.00 2.87 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 0.00 122 I 8.81 4.33 1.77 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.38 0.62 0.00 0.00 123 S 9.11 5.14 0.00 2.72 3.27 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 0.00 124 T 8.56 5.06 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 125 S 8.73 4.98 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 0.00 126 Q 8.76 4.04 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.48 2.31 0.00 127 A 7.71 4.19 1.26 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 0.00 0.00 0.00 128 E 8.58 4.13 0.00 2.09 1.84 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 2.40 2.38 0.00 129 N 8.21 4.13 0.00 2.87 2.83 0.00 0.00 7.04 7.64 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 0.00 130 M 7.16 4.81 0.00 1.98 2.00 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 2.55 2.89 0.00 131 P 0.00 5.05 0.00 2.06 2.06 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 132 V 8.74 4.31 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 0.82 0.00 0.00 0.99 0.00 0.00 133 F 8.68 5.14 0.00 3.29 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 0.00 134 L 8.97 5.00 0.00 1.87 1.90 1.26 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 135 G 9.49 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 0.00 0.00 0.00 136 G 7.88 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.24 4.36 4.18 0.00 0.00 0.00 0.00 0.00 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 0.00 138 K 8.54 4.18 0.00 1.64 1.59 0.00 0.61 0.00 0.00 1.37 0.00 0.00 2.61 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.76 0.67 7.81 139 G 9.03 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 0.00 140 G 7.26 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 9.16 4.09 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 142 D 7.80 4.69 0.00 2.76 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 0.00 143 I 8.25 4.33 1.70 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.62 0.63 0.00 0.00 144 T 8.52 5.03 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 1.11 0.00 0.00 145 D 7.72 5.41 0.00 2.69 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 0.00 146 F 9.45 5.54 0.00 3.13 3.11 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 0.00 0.00 0.00 147 T 9.08 5.06 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 148 M 8.67 5.17 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.93 0.00 149 Q 8.81 4.76 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 150 F 9.27 4.95 0.00 2.90 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 0.00 151 V 8.45 4.69 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 0.96 0.00 0.00 152 S 8.82 4.29 0.00 4.00 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 0.00 153 S 7.69 4.11 0.00 4.09 3.91 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 0.00