NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 M 4.4876 8.3049 120.3248 55.2278 33.3315 175.3622 -2 R 3.8650 8.6608 123.5498 58.2318 30.5819 176.2301 -1 G 3.7481 8.0450 106.5040 45.7336 0.0000 172.2617 0 S 4.6447 8.2795 116.3982 56.7187 65.3908 174.7406 1 A 4.2310 8.6940 129.3203 54.3361 18.4665 178.5840 2 F 4.5868 8.0845 113.8956 59.6192 39.4712 176.4579 3 N 4.6094 7.9365 118.4015 54.0212 39.0449 173.5982 4 G 3.5432 7.9974 107.7618 43.8305 0.0000 171.5628 5 K 4.9275 8.1877 120.0755 54.5010 34.5008 176.2741 6 W 5.5491 9.7295 126.5630 54.7898 33.5684 174.0061 7 E 5.1861 9.1845 120.5071 54.4234 32.4000 175.2769 8 T 4.5044 8.7759 119.7655 63.7810 68.3918 173.6846 9 E 4.7607 9.3691 123.7599 56.6354 32.0943 176.2825 10 S 4.7524 7.7591 113.2016 57.0427 66.5722 173.1895 11 Q 5.0400 8.5734 119.8109 54.3153 32.2288 174.3065 12 E 4.5572 9.3524 123.0647 55.4173 33.2615 177.0067 13 G 4.0728 8.9531 110.4766 47.5274 0.0000 174.5950 14 Y 4.1254 8.1281 122.1288 60.4502 38.7377 177.8134 15 E 3.9835 8.2372 118.9383 59.1713 29.8168 177.5208 16 P 4.2440 0.0000 0.0000 65.2089 31.4889 178.5750 17 F 3.9705 8.1454 119.1675 61.5428 39.3637 176.9105 18 C 4.0420 7.9841 116.3550 62.7080 27.4173 176.1089 19 K 3.9969 8.1539 121.2263 59.3396 31.5441 178.6052 20 L 4.1122 7.8533 121.0677 57.5105 42.1798 178.5619 21 I 3.8586 7.1174 110.2450 61.1780 37.8107 176.1743 22 G 3.9635 7.1990 107.5175 45.3606 0.0000 173.9928 23 I 3.9121 7.7421 122.0625 60.0144 37.8294 175.0937 24 P 4.4674 0.0000 0.0000 62.1948 33.3022 177.1120 25 D 4.4165 8.6509 120.1856 57.7886 40.6606 179.0200 26 D 4.4522 8.0586 118.8947 56.1270 39.4665 178.6292 27 V 3.6660 7.7292 119.5799 65.7007 31.6463 177.7991 28 I 3.8204 7.7874 119.2859 64.4671 36.7537 178.2238 29 A 4.1143 7.9248 120.3392 55.2134 18.2734 179.5626 30 K 4.2558 7.8998 116.3602 58.8791 32.6272 179.0158 31 G 4.1068 8.3361 105.9056 44.5868 0.0000 175.5983 32 R 3.4914 7.7805 120.9167 59.0369 30.1659 176.7825 33 D 4.6639 7.8705 114.1020 53.7799 41.2743 175.8974 34 F 4.2530 7.9124 123.1581 57.9438 39.5982 174.3952 35 K 4.2158 7.6630 127.6586 54.2216 33.6831 175.6682 36 L 3.8499 8.0331 128.1435 54.6675 43.7779 175.4460 37 V 4.7601 8.3095 125.7298 61.9996 33.3716 174.2791 38 T 5.2439 9.1562 124.8603 61.8377 71.6862 172.8363 39 E 5.2524 9.4810 125.6529 54.6382 32.7074 175.0432 40 I 4.7790 8.8294 124.7126 59.3090 41.1135 174.7071 41 V 4.4810 8.6850 125.8487 61.1974 34.1558 173.7672 42 Q 3.8926 8.5290 129.8240 54.4531 30.3286 175.1087 43 N 4.7212 8.8848 126.3951 51.7928 39.9899 176.1767 44 G 3.9444 7.9400 117.1890 46.5377 0.0000 173.6232 45 D 4.6462 8.8474 128.1421 55.0575 41.6350 175.0689 46 D 4.9511 7.8254 120.7239 53.7133 42.1784 175.3942 47 F 4.9113 8.9754 122.5804 55.7072 42.4344 174.3743 48 T 5.0395 8.8783 119.8072 61.5127 71.4234 172.8182 49 W 4.9953 9.6584 135.0000 56.0377 33.5292 173.9902 50 T 5.0041 9.0991 125.2413 61.9610 70.3543 173.7113 51 Q 4.9644 9.0352 125.4053 54.3567 32.3492 174.4994 52 Y 4.6727 8.5337 122.0589 56.9246 37.9601 175.1662 53 Y 4.8890 8.6044 122.2108 55.8775 40.0317 173.7751 54 P 4.4679 0.0000 0.0000 63.6914 31.9945 175.7452 55 N 4.5399 9.3018 113.4222 54.9757 35.7994 174.6700 56 N 4.3535 8.5400 109.9034 54.7048 36.6485 175.3197 57 H 4.7203 7.9249 120.7078 55.4290 28.7504 172.7521 58 V 4.2761 7.8796 121.4550 61.8655 32.7634 174.7433 59 V 4.3792 8.9252 127.9542 61.5288 34.1574 174.0228 60 T 5.0383 8.6490 124.9408 62.1382 70.2411 173.6387 61 N 5.0488 9.7286 124.9122 51.5309 40.8924 173.9954 62 K 5.3195 8.7832 123.3204 54.5722 34.5900 175.5299 63 F 5.0802 8.8027 118.7499 55.6265 42.1448 173.0256 64 I 4.9539 8.5026 121.3635 59.1784 39.6026 175.3875 65 V 3.9103 8.6495 127.2940 65.0531 31.4948 176.1091 66 G 4.0239 9.4044 115.4408 45.3606 0.0000 172.7010 67 K 4.7048 7.7082 117.2419 53.7007 35.8178 175.8785 68 E 4.1488 9.0224 124.6163 57.3384 29.9903 176.1518 69 S 4.9075 9.0353 122.2652 56.6107 67.4107 172.9237 70 D 4.9369 8.6226 122.0705 54.3484 41.5622 175.8108 71 M 4.7025 9.0203 122.5616 53.2482 35.8778 174.1741 72 E 5.2573 8.5742 121.5602 54.7629 32.9736 175.3996 73 T 4.5097 8.8742 117.2514 60.1665 71.1866 175.9762 74 V 3.2738 8.3880 121.1668 65.8978 31.4388 176.7471 75 G 3.7201 7.9405 105.5239 45.6241 0.0000 173.9999 76 G 3.9174 7.9991 107.0332 45.1864 0.0000 173.8153 77 K 4.3031 8.0399 120.1475 55.8527 33.1651 176.1365 78 K 5.2210 8.5724 124.3240 55.1561 34.2809 175.3806 79 F 4.8607 8.5663 117.7587 56.3422 41.8203 172.4856 80 K 4.9603 8.7175 117.7001 54.7967 34.7742 176.1214 81 G 4.3022 8.7026 109.5456 45.2784 0.0000 171.5068 82 I 4.7906 8.2984 120.8360 59.2781 39.6887 175.2246 83 V 4.4390 8.3234 127.3927 61.2166 33.3291 175.0083 84 S 4.9095 8.6092 122.7897 57.5730 65.5496 172.8417 85 M 5.0199 8.5297 120.3659 54.0581 34.2839 175.0997 86 E 4.4135 9.2675 126.8271 55.1255 31.7534 176.1216 87 G 3.8552 9.4120 115.6090 46.7004 0.0000 173.4221 88 G 4.0729 8.5341 105.7864 45.0339 0.0000 173.5660 89 K 4.8175 7.6262 120.3923 54.8313 34.3233 175.4275 90 L 4.9203 8.9923 125.9179 53.9918 43.3210 175.8137 91 T 4.9897 8.8016 120.6372 61.5698 72.2684 172.7287 92 I 4.6633 8.3572 125.9738 59.1850 40.9650 174.3544 93 S 4.6331 8.6337 123.1262 56.8392 64.8268 172.5513 94 F 5.1464 8.4734 121.7070 53.6029 40.8990 172.6157 95 P 4.4372 0.0000 0.0000 64.5085 31.4750 177.3331 96 K 4.0744 9.9377 120.2330 56.6970 30.2311 174.8246 97 Y 5.1277 7.6261 120.3633 56.3311 42.4605 173.2002 98 Q 4.5320 8.6017 127.2627 54.1605 33.3323 173.4053 99 Q 4.7103 8.2976 124.9863 54.6278 32.7114 173.5957 100 T 5.1887 8.7271 122.9735 61.9315 71.6400 173.3870 101 T 5.3393 8.9628 115.6389 60.0916 72.2585 172.6308 102 E 5.1295 8.9942 121.2481 55.4823 33.8808 173.4879 103 I 4.5926 7.7814 120.9144 59.8570 38.8579 175.7780 104 S 4.3071 8.9310 121.8651 57.4834 64.6836 173.8811 105 G 4.1432 9.6209 117.3940 46.8593 0.0000 174.0861 106 G 4.0066 8.5985 105.5545 45.0517 0.0000 174.0095 107 K 5.0322 7.5716 118.4684 54.1867 35.7034 175.2086 108 L 4.1692 8.1657 126.0259 54.4231 43.1544 175.5296 109 V 4.6878 8.7822 127.6254 61.1840 34.0917 173.9034 110 E 5.0025 9.4032 128.2995 54.9449 32.1018 175.1379 111 T 4.9607 8.9609 122.3432 61.9837 71.1518 173.3392 112 S 5.0094 8.8819 123.5267 56.8951 65.9144 173.5898 113 T 5.2754 8.7899 120.2329 61.8098 71.7071 172.8176 114 A 5.3254 8.9657 127.7020 50.2323 22.3146 174.8976 115 S 5.1272 8.7590 117.2443 57.4722 65.5247 174.8429 116 G 3.9220 8.4349 109.2611 45.4866 0.0000 173.7127 117 A 3.9725 8.5947 121.5141 54.9857 18.9512 178.7195 118 Q 4.3130 7.9683 113.5183 56.0809 29.7970 175.0622 119 G 4.0648 7.9875 104.2546 44.3249 0.0000 172.8713 120 T 5.1722 8.2112 112.3260 59.7808 71.9703 173.8648 121 A 4.8862 8.8124 124.0323 50.2038 22.6446 174.9684 122 V 4.9611 8.4868 119.7967 60.9813 34.7374 173.9626 123 L 4.9901 8.9060 129.3996 53.1267 45.2380 174.9553 124 V 4.7119 8.8856 126.3360 61.2491 34.0439 173.8409 125 R 4.9834 9.1462 129.4695 54.9031 32.4092 174.6585 126 T 5.1436 8.9369 122.9882 61.8988 71.8087 173.3175 127 S 5.3718 9.1293 121.8566 56.5839 66.8145 173.2991 128 K 5.0016 8.8038 122.3410 55.0007 35.1768 175.7809 129 K 3.9883 8.4555 122.6404 56.5792 32.8823 176.2054 130 V 4.6254 7.9936 117.3669 59.6705 35.9114 175.8015 131 L 3.9901 8.0683 121.5477 56.3092 39.9944 175.3833 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 -3 M 8.30 4.49 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 -2 R 8.66 3.86 0.00 1.87 1.96 0.00 3.20 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 -1 G 8.04 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 S 8.28 4.64 0.00 3.87 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 1 A 8.69 4.23 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 2 F 8.08 4.59 0.00 3.23 3.22 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 3 N 7.94 4.61 0.00 2.85 2.78 0.00 0.00 7.12 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 4 G 8.00 3.54 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 0.00 0.00 0.00 5 K 8.19 4.93 0.00 1.73 1.49 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.42 7.81 6 W 9.73 5.55 0.00 3.20 3.03 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 7 E 9.18 5.19 0.00 1.93 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 2.16 2.24 0.00 8 T 8.78 4.50 4.14 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 1.17 0.00 0.00 9 E 9.37 4.76 0.00 1.88 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 2.29 2.27 0.00 10 S 7.76 4.75 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 11 Q 8.57 5.04 0.00 1.86 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 12 E 9.35 4.56 0.00 1.85 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 2.22 2.37 0.00 13 G 8.95 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 0.00 0.00 0.00 14 Y 8.13 4.13 0.00 3.11 3.03 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 15 E 8.24 3.98 0.00 2.15 2.01 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 2.49 2.62 0.00 16 P 0.00 4.24 0.00 2.21 2.12 0.00 3.77 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 2.16 2.17 0.00 17 F 8.15 3.97 0.00 3.29 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 18 C 7.98 4.04 0.00 2.95 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 19 K 8.15 4.00 0.00 1.93 1.88 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.57 7.81 20 L 7.85 4.11 0.00 1.69 1.66 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.12 3.86 1.70 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.67 0.40 0.00 0.00 22 G 7.20 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 0.00 0.00 0.00 23 I 7.74 3.91 1.92 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 1.27 0.53 0.90 0.00 0.00 24 P 0.00 4.47 0.00 2.31 1.96 0.00 3.59 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 25 D 8.65 4.42 0.00 2.69 2.74 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 26 D 8.06 4.45 0.00 2.92 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 27 V 7.73 3.67 2.22 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 1.16 0.00 0.00 0.94 0.00 0.00 28 I 7.79 3.82 2.08 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 1.33 1.04 1.00 0.00 0.00 29 A 7.92 4.11 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 30 K 7.90 4.26 0.00 1.89 1.92 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.66 1.62 7.81 31 G 8.34 4.11 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 0.00 0.00 0.00 32 R 7.78 3.49 0.00 2.07 2.00 0.00 3.29 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 33 D 7.87 4.66 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 34 F 7.91 4.25 0.00 3.03 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 35 K 7.66 4.22 0.00 1.40 1.67 0.00 1.93 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.24 7.81 36 L 8.03 3.85 0.00 1.87 1.53 0.64 0.90 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 37 V 8.31 4.76 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 0.94 0.00 0.00 0.83 0.00 0.00 38 T 9.16 5.24 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 1.16 0.00 0.00 39 E 9.48 5.25 0.00 1.96 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 2.27 2.43 0.00 40 I 8.83 4.78 2.09 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.22 0.65 0.00 0.00 41 V 8.68 4.48 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 0.95 0.00 0.00 0.91 0.00 0.00 42 Q 8.53 3.89 0.00 1.10 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.94 0.00 0.00 0.00 0.00 0.00 1.91 1.34 0.00 43 N 8.88 4.72 0.00 2.63 2.52 0.00 0.00 6.70 7.84 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 44 G 7.94 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 0.00 0.00 0.00 45 D 8.85 4.65 0.00 2.78 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 46 D 7.83 4.95 0.00 2.74 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 47 F 8.98 4.91 0.00 1.51 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.88 5.04 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 1.25 0.00 0.00 49 W 9.66 5.00 0.00 3.69 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 50 T 9.10 5.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 51 Q 9.04 4.96 0.00 1.94 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 52 Y 8.53 4.67 0.00 2.85 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 53 Y 8.60 4.89 0.00 3.24 2.92 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 54 P 0.00 4.47 0.00 2.14 1.98 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 55 N 9.30 4.54 0.00 2.88 2.93 0.00 0.00 6.95 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 56 N 8.54 4.35 0.00 2.94 2.98 0.00 0.00 7.11 8.16 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 57 H 7.92 4.72 0.00 3.39 3.45 0.00 5.77 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.88 4.28 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 0.45 0.00 0.00 0.98 0.00 0.00 59 V 8.93 4.38 2.40 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 1.14 0.00 0.00 0.97 0.00 0.00 60 T 8.65 5.04 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 61 N 9.73 5.05 0.00 2.86 2.89 0.00 0.00 6.38 7.97 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 62 K 8.78 5.32 0.00 1.65 1.74 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.44 7.81 63 F 8.80 5.08 0.00 3.01 3.03 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 64 I 8.50 4.95 1.93 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 1.13 1.25 0.96 0.00 0.00 65 V 8.65 3.91 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 1.19 0.00 0.00 66 G 9.40 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 67 K 7.71 4.70 0.00 1.66 1.70 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.42 7.81 68 E 9.02 4.15 0.00 1.98 1.90 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 2.29 2.36 0.00 69 S 9.04 4.91 0.00 3.79 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 70 D 8.62 4.94 0.00 2.53 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 71 M 9.02 4.70 0.00 0.93 0.72 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.18 0.00 72 E 8.57 5.26 0.00 1.93 1.81 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 2.22 2.30 0.00 73 T 8.87 4.51 4.25 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 1.42 0.00 0.00 74 V 8.39 3.27 1.79 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 -0.35 0.00 0.00 0.50 0.00 0.00 75 G 7.94 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 76 G 8.00 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 77 K 8.04 4.30 0.00 1.74 1.76 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.52 7.81 78 K 8.57 5.22 0.00 1.65 1.72 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.44 7.81 79 F 8.57 4.86 0.00 2.97 3.02 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 80 K 8.72 4.96 0.00 1.62 1.69 0.00 1.75 0.00 0.00 1.88 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.26 1.37 7.81 81 G 8.70 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 0.00 0.00 0.00 0.00 82 I 8.30 4.79 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 1.33 0.73 0.92 0.00 0.00 83 V 8.32 4.44 1.90 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 0.79 0.00 0.00 0.25 0.00 0.00 84 S 8.61 4.91 0.00 3.96 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 85 M 8.53 5.02 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 86 E 9.27 4.41 0.00 1.97 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 2.23 2.24 0.00 87 G 9.41 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 0.00 0.00 0.00 88 G 8.53 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 0.00 0.00 0.00 89 K 7.63 4.82 0.00 1.88 1.75 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.43 7.81 90 L 8.99 4.92 0.00 1.70 1.36 0.58 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.80 4.99 4.17 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 1.16 0.00 0.00 92 I 8.36 4.66 1.70 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.73 0.88 0.00 0.00 93 S 8.63 4.63 0.00 3.77 3.66 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 94 F 8.47 5.15 0.00 3.20 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 95 P 0.00 4.44 0.00 2.16 2.12 0.00 3.97 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 2.10 2.19 0.00 96 K 9.94 4.07 0.00 2.09 2.01 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.45 7.81 97 Y 7.63 5.13 0.00 2.71 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 0.00 0.00 0.00 0.00 98 Q 8.60 4.53 0.00 1.83 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.55 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 99 Q 8.30 4.71 0.00 1.80 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.54 0.00 0.00 0.00 0.00 0.00 2.09 2.33 0.00 100 T 8.73 5.19 4.17 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 1.18 0.00 0.00 101 T 8.96 5.34 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 102 E 8.99 5.13 0.00 2.06 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 0.00 2.18 2.25 0.00 103 I 7.78 4.59 1.60 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.42 0.93 0.00 0.00 104 S 8.93 4.31 0.00 3.72 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 0.00 105 G 9.62 4.14 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 0.00 106 G 8.60 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 0.00 107 K 7.57 5.03 0.00 1.91 1.79 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.43 7.81 108 L 8.17 4.17 0.00 0.27 0.82 0.74 0.42 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 0.00 109 V 8.78 4.69 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 0.89 0.00 0.00 0.95 0.00 0.00 110 E 9.40 5.00 0.00 1.88 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 2.31 2.28 0.00 111 T 8.96 4.96 4.17 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 1.16 0.00 0.00 112 S 8.88 5.01 0.00 3.22 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 0.00 113 T 8.79 5.28 4.13 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 1.25 0.00 0.00 114 A 8.97 5.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.76 5.13 0.00 3.68 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 0.00 116 G 8.43 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 0.00 117 A 8.59 3.97 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 0.00 118 Q 7.97 4.31 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.18 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 119 G 7.99 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.21 5.17 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 121 A 8.81 4.89 1.24 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 0.00 0.00 0.00 122 V 8.49 4.96 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 0.96 0.00 0.00 0.95 0.00 0.00 123 L 8.91 4.99 0.00 1.40 0.66 0.97 0.34 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 0.00 124 V 8.89 4.71 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 0.95 0.00 0.00 0.91 0.00 0.00 125 R 9.15 4.98 0.00 1.87 1.76 0.00 3.14 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 126 T 8.94 5.14 4.25 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 1.28 0.00 0.00 127 S 9.13 5.37 0.00 3.77 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.80 5.00 0.00 1.86 1.97 0.00 1.30 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.37 7.81 129 K 8.46 3.99 0.00 1.24 1.41 0.00 0.93 0.00 0.00 1.33 0.00 0.00 2.49 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.89 0.32 7.81 130 V 7.99 4.63 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 0.67 0.00 0.00 0.82 0.00 0.00 131 L 8.07 3.99 0.00 1.60 1.44 0.82 0.47 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