NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.8389 8.4293 117.7991 55.9899 29.7781 172.2941 1 M 4.6868 7.9712 118.1609 52.5294 33.6777 174.3150 2 T 4.2062 8.8914 111.6913 61.0679 71.3282 176.6067 3 M 4.0817 8.7248 120.5798 58.7632 32.1217 177.6171 4 E 3.9847 8.2590 118.2099 59.7796 29.6785 179.1611 5 Q 3.9884 8.0258 117.3733 58.8959 28.6919 178.5910 6 F 4.2128 8.3754 123.0994 60.8254 39.0402 177.2427 7 L 3.6941 8.1025 118.2403 58.0627 41.4501 179.7810 8 T 3.8989 7.8970 115.9527 66.4118 68.4738 176.8662 9 S 4.0734 8.2618 116.7341 61.2574 62.7831 176.4718 10 L 3.8094 7.2404 122.2884 57.8488 41.3961 179.3034 11 D 4.3360 7.3594 115.3473 57.6380 40.5262 178.7668 12 M 4.0661 7.5812 117.5643 58.3443 32.2131 178.6313 13 I 3.7859 8.1366 120.2919 64.3441 37.2965 178.2115 14 R 4.1179 7.9735 119.7810 59.7711 29.6513 178.6038 15 S 4.4693 8.1139 112.6333 61.0816 62.9389 175.9127 16 G 3.8891 7.8244 106.6069 45.6151 0.0000 173.2834 17 C 4.9989 7.9194 116.7073 58.4094 43.0044 175.8530 18 A 4.2317 8.9705 122.8914 54.9962 17.9865 177.8152 19 P 4.4291 0.0000 0.0000 64.9405 31.4800 177.6021 20 K 3.9334 7.8435 116.4405 57.5250 32.1249 176.3932 21 F 4.9963 7.8940 116.2910 55.4256 42.5928 174.5355 22 K 4.4774 9.2256 122.1309 55.1485 31.9339 176.4811 23 L 4.8459 8.1501 123.0216 52.1591 45.5461 176.8255 24 K 4.4291 8.2196 120.5299 55.4296 34.2836 178.1760 25 T 3.8139 8.4341 120.7750 66.6885 68.4521 176.1715 26 E 3.8544 8.0821 120.6576 59.3582 29.6101 178.5130 27 D 3.9969 7.7692 118.2222 57.3270 40.9497 178.6250 28 L 3.9801 7.7995 119.4172 57.7740 41.7183 179.0712 29 D 4.3811 8.5064 119.2426 57.6063 40.7338 179.3461 30 R 4.0315 7.9125 118.1473 59.3644 30.0210 179.1055 31 L 3.7647 7.9717 118.7628 57.7692 41.5623 179.5033 32 R 4.8118 8.3372 120.0511 58.2020 29.6418 177.9700 33 V 4.3427 7.2910 108.2723 60.8124 31.7880 176.1364 34 G 4.3625 8.5830 107.5606 46.5949 0.0000 174.2358 35 D 4.8051 8.5597 121.0066 53.0660 39.8995 175.5210 36 F 4.5201 8.8014 122.5118 57.2181 39.7999 176.9331 37 N 4.8592 8.5145 119.9589 51.3488 37.3943 174.6406 38 F 4.8365 6.9943 110.3238 55.1832 40.7203 172.5961 39 P 4.2308 0.0000 0.0000 61.8465 31.5269 174.6884 40 P 4.3004 0.0000 0.0000 61.7224 32.5320 176.7147 41 S 4.3430 8.1362 115.5295 57.8457 65.2281 175.0575 42 Q 3.8539 8.4468 122.5860 59.3545 28.6400 177.9539 43 D 4.4169 8.0670 119.3690 57.4308 40.9942 178.4005 44 L 3.8507 7.9515 120.6650 58.4129 42.1049 178.9298 45 M 4.0071 7.7139 118.4321 58.7211 31.8597 178.2366 46 C 4.3543 8.2864 116.6760 59.7205 40.8791 175.5100 47 Y 3.4381 7.4283 121.9452 60.6524 38.3611 178.2550 48 T 4.2266 7.9663 110.6688 64.7104 68.7348 176.2964 49 K 4.0900 8.0604 122.3568 59.4679 32.2378 177.8565 50 C 4.3259 8.4168 118.8341 59.6524 39.0888 175.7086 51 V 3.3561 7.7601 119.4684 66.0639 31.1256 177.9693 52 A 4.1728 8.3946 120.5002 55.0940 18.0903 179.6071 53 L 4.0004 8.4960 118.1983 58.0934 41.4446 179.3247 54 M 4.0129 7.9119 117.1485 58.6071 32.3087 177.9132 55 A 4.1957 7.8643 119.2561 52.8581 18.5267 178.2693 56 G 3.8617 7.5754 104.9269 46.4908 0.0000 174.5992 57 T 4.3025 7.9521 110.0389 61.6662 69.6754 174.6699 58 V 4.9310 7.4842 114.2744 59.4791 35.6027 174.5688 59 N 4.8139 8.2021 119.1124 51.4675 38.9976 176.0437 60 K 4.1096 8.4313 116.3962 58.7170 32.1447 178.2153 61 K 4.2071 8.2464 117.5293 56.2463 32.2820 177.9852 62 G 3.9558 8.3142 107.2966 45.7693 0.0000 173.3834 63 E 4.0958 8.6622 120.8896 54.9859 29.8855 176.0649 64 F 4.6459 8.3689 126.9558 58.0956 40.1962 174.8631 65 N 4.5290 8.1532 126.7693 51.3485 38.8860 175.1140 66 A 3.6058 7.8786 128.7992 54.4512 18.8535 176.8915 67 P 4.1551 0.0000 0.0000 65.8786 31.4024 178.7510 68 K 3.9195 8.2618 117.9781 59.0760 32.0153 178.6198 69 A 3.9863 8.1558 121.6312 55.3343 18.0806 179.6475 70 L 3.9401 7.8034 115.7330 57.9024 41.7522 179.3353 71 A 4.1056 7.7583 119.7186 55.0633 18.5862 179.1681 72 Q 4.1865 8.1509 115.7008 57.5656 28.9395 178.0862 73 L 3.9300 7.5645 120.6281 57.7713 41.8825 177.7518 74 P 4.3030 0.0000 0.0000 65.5085 30.9849 177.4317 75 H 4.5998 7.9834 112.5182 56.3423 28.9298 175.4991 76 L 4.6437 7.6171 119.4313 55.4278 43.7546 176.9498 77 V 4.2236 7.8591 109.8491 58.3159 34.9446 173.7937 78 P 4.6897 0.0000 0.0000 60.9916 32.5479 175.3276 79 P 4.2251 0.0000 0.0000 66.2920 30.9232 178.5816 80 E 4.0446 8.1870 115.2752 58.6756 29.6729 177.9870 81 M 4.4899 8.0786 117.0211 54.9122 32.9029 177.4522 82 M 3.9689 7.7009 120.3823 58.4952 32.1490 178.1602 83 E 3.8515 8.0265 118.6525 59.3549 29.9468 178.0002 84 M 3.9548 8.0407 117.7699 58.9835 32.2080 178.2452 85 S 4.0013 8.0676 114.8835 61.5301 62.9969 176.6484 86 R 3.8809 8.5323 121.1551 59.3147 29.8462 178.7756 87 K 3.8510 8.1819 119.2209 59.9342 32.1717 178.9646 88 S 4.1311 8.1621 115.2188 61.2445 62.2385 176.7112 89 V 3.8005 8.1360 121.5709 66.1646 31.0788 177.7599 90 E 4.0046 8.0226 117.3419 59.3461 29.5990 178.3896 91 A 4.2035 8.1857 119.7298 54.2468 18.7176 177.4131 92 C 4.8204 7.9912 113.0000 56.5698 41.0103 176.0388 93 R 4.1910 7.8975 118.1389 58.8007 29.2049 177.1983 94 D 4.7826 7.9489 115.9531 54.1865 42.1998 177.8065 95 T 3.8814 7.6993 117.6966 67.1845 68.4839 175.8089 96 H 4.4493 8.2373 115.9813 58.4080 28.3428 177.3865 97 K 4.0829 7.6173 120.1951 58.5652 31.9132 178.2708 98 Q 3.9974 7.6475 116.3914 55.7585 29.0693 175.4448 99 F 5.0013 7.3623 117.5963 55.5999 42.7783 174.5896 100 K 4.4569 8.7390 120.7321 57.2447 34.2000 177.3364 101 E 4.3474 8.0359 119.5640 55.1151 31.4875 176.9203 102 S 4.4178 8.6021 123.0012 61.4518 63.0705 177.5432 103 C 4.3315 8.4939 119.8567 59.4412 39.8818 175.4974 104 E 3.7559 8.7700 121.2275 59.1968 29.0852 178.7789 105 R 3.9209 8.1834 118.4087 59.4876 30.1134 179.2328 106 V 3.5250 7.6030 117.0630 66.0635 31.5270 177.2459 107 Y 3.8786 7.8346 120.5928 60.2772 38.6128 178.3425 108 Q 3.5179 8.0606 118.9118 58.8464 28.5425 179.0258 109 T 3.3038 7.1188 116.8397 66.1951 68.3854 176.6853 110 A 3.3482 7.3340 122.8776 54.6567 18.2094 179.5905 111 K 2.4800 6.9416 118.1595 59.0518 32.0549 178.1599 112 C 3.9420 7.4630 118.6429 59.5000 39.8805 175.2745 113 F 4.1374 7.5419 119.9268 60.7841 38.2575 177.8452 114 S 3.3071 6.7559 111.9260 61.3188 62.6622 176.0312 115 E 4.0535 7.7019 120.9036 58.3253 29.3810 178.0314 116 N 4.6525 7.9727 114.4051 52.6155 39.0990 175.2553 117 A 3.9845 7.2165 124.7818 52.5347 18.5737 176.8100 118 D 4.7570 8.7741 122.1850 53.3793 40.0403 176.2687 119 G 4.0953 7.3983 107.5130 44.7990 0.0000 171.9490 120 Q 4.1840 8.7648 118.4444 56.0414 29.1957 175.3783 121 F 5.1693 8.8600 124.4268 56.6862 41.9080 174.1491 122 M 5.2729 7.9705 124.0083 52.1699 35.1937 174.3758 123 W 4.6719 8.6511 133.0103 54.5001 33.7803 173.9652 124 P 4.2819 0.0000 0.0000 63.0219 30.7107 176.1391 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 0 H 8.43 4.84 0.00 3.02 3.31 0.00 5.85 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 1 M 7.97 4.69 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.73 0.00 2 T 8.89 4.21 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 1.23 0.00 0.00 3 M 8.72 4.08 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.74 0.00 4 E 8.26 3.98 0.00 2.07 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 2.42 2.44 0.00 5 Q 8.03 3.99 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 6 F 8.38 4.21 0.00 3.10 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 7 L 8.10 3.69 0.00 1.73 1.65 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.90 3.90 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 1.18 0.00 0.00 9 S 8.26 4.07 0.00 3.93 4.19 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 10 L 7.24 3.81 0.00 1.58 1.57 0.62 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.36 4.34 0.00 2.84 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 M 7.58 4.07 0.00 1.97 2.19 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 2.73 2.56 0.00 13 I 8.14 3.79 1.85 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.10 0.73 0.00 0.00 14 R 7.97 4.12 0.00 2.21 2.16 0.00 3.13 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 15 S 8.11 4.47 0.00 4.09 4.12 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 16 G 7.82 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 17 C 7.92 5.00 0.00 3.07 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 18 A 8.97 4.23 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.43 0.00 2.06 2.14 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 20 K 7.84 3.93 0.00 1.07 1.11 0.00 1.65 0.00 0.00 1.58 0.00 0.00 3.19 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.37 7.81 21 F 7.89 5.00 0.00 3.08 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 22 K 9.23 4.48 0.00 1.78 1.80 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.57 7.81 23 L 8.15 4.85 0.00 1.51 1.40 0.64 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.22 4.43 0.00 1.90 1.66 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.49 7.81 25 T 8.43 3.81 4.20 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 0.00 0.00 1.23 0.00 0.00 26 E 8.08 3.85 0.00 1.94 1.83 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 2.13 2.27 0.00 27 D 7.77 4.00 0.00 2.89 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.80 3.98 0.00 1.78 1.67 0.75 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.51 4.38 0.00 2.76 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 30 R 7.91 4.03 0.00 1.85 2.25 0.00 2.75 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 31 L 7.97 3.76 0.00 1.80 1.69 0.84 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.34 4.81 0.00 2.08 2.21 0.00 3.12 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 33 V 7.29 4.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.09 0.00 0.00 34 G 8.58 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 0.00 0.00 0.00 0.00 35 D 8.56 4.81 0.00 2.74 2.89 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 36 F 8.80 4.52 0.00 2.88 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 37 N 8.51 4.86 0.00 2.99 2.90 0.00 0.00 6.71 6.73 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 38 F 6.99 4.84 0.00 3.07 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.23 0.00 2.07 2.01 0.00 3.85 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 2.07 2.09 0.00 40 P 0.00 4.30 0.00 1.46 1.14 0.00 3.48 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.44 0.00 41 S 8.14 4.34 0.00 4.04 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 42 Q 8.45 3.85 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 43 D 8.07 4.42 0.00 2.83 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.95 3.85 0.00 1.67 1.64 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 45 M 7.71 4.01 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.62 0.00 46 C 8.29 4.35 0.00 2.83 3.32 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 47 Y 7.43 3.44 0.00 2.50 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 48 T 7.97 4.23 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 1.35 0.00 0.00 49 K 8.06 4.09 0.00 1.93 2.10 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.52 1.52 7.81 50 C 8.42 4.33 0.00 3.32 3.36 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 51 V 7.76 3.36 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.42 0.00 0.00 52 A 8.39 4.17 1.62 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 53 L 8.50 4.00 0.00 1.95 1.77 0.98 0.75 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 54 M 7.91 4.01 0.00 2.12 2.08 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 2.60 2.53 0.00 55 A 7.86 4.20 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 56 G 7.58 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 57 T 7.95 4.30 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 58 V 7.48 4.93 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.03 0.00 0.00 59 N 8.20 4.81 0.00 2.97 2.98 0.00 0.00 7.34 7.67 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 60 K 8.43 4.11 0.00 1.79 1.94 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.49 7.81 61 K 8.25 4.21 0.00 1.98 1.86 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.45 7.81 62 G 8.31 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 63 E 8.66 4.10 0.00 2.14 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 2.39 2.28 0.00 64 F 8.37 4.65 0.00 2.88 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 65 N 8.15 4.53 0.00 2.62 2.47 0.00 0.00 6.76 8.94 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 66 A 7.88 3.61 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.16 0.00 2.12 2.11 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 68 K 8.26 3.92 0.00 1.83 1.81 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.42 7.81 69 A 8.16 3.99 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 70 L 7.80 3.94 0.00 1.76 1.74 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.76 4.11 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 72 Q 8.15 4.19 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.63 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 73 L 7.56 3.93 0.00 1.75 1.71 0.90 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.30 0.00 1.83 1.71 0.00 3.55 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 75 H 7.98 4.60 0.00 3.23 3.30 0.00 5.60 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.62 4.64 0.00 1.71 1.71 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.86 4.22 1.74 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 0.59 0.00 0.00 0.83 0.00 0.00 78 P 0.00 4.69 0.00 2.35 2.27 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 79 P 0.00 4.23 0.00 2.14 2.14 0.00 3.62 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 80 E 8.19 4.04 0.00 1.84 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 81 M 8.08 4.49 0.00 1.78 1.75 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 2.29 2.39 0.00 82 M 7.70 3.97 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.88 0.00 83 E 8.03 3.85 0.00 2.06 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 2.36 2.41 0.00 84 M 8.04 3.95 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.67 0.00 85 S 8.07 4.00 0.00 3.99 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 86 R 8.53 3.88 0.00 1.95 1.99 0.00 3.13 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 87 K 8.18 3.85 0.00 1.80 2.06 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.49 7.81 88 S 8.16 4.13 0.00 3.81 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 89 V 8.14 3.80 2.31 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 1.29 0.00 0.00 1.07 0.00 0.00 90 E 8.02 4.00 0.00 2.04 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 2.34 2.39 0.00 91 A 8.19 4.20 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 92 C 7.99 4.82 0.00 3.13 2.71 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 93 R 7.90 4.19 0.00 2.18 2.51 0.00 3.23 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.70 0.00 94 D 7.95 4.78 0.00 2.71 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 95 T 7.70 3.88 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 1.22 0.00 0.00 96 H 8.24 4.45 0.00 3.50 3.63 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.62 4.08 0.00 1.82 1.84 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.13 7.81 98 Q 7.65 4.00 0.00 1.53 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.69 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 99 F 7.36 5.00 0.00 3.02 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 0.00 100 K 8.74 4.46 0.00 1.76 1.86 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.40 7.81 101 E 8.04 4.35 0.00 2.04 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 2.39 2.32 0.00 102 S 8.60 4.42 0.00 4.15 4.19 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 0.00 103 C 8.49 4.33 0.00 3.26 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 0.00 104 E 8.77 3.76 0.00 1.98 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 2.17 1.78 0.00 105 R 8.18 3.92 0.00 2.14 2.22 0.00 3.33 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.91 0.00 106 V 7.60 3.52 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 1.10 0.00 0.00 107 Y 7.83 3.88 0.00 3.03 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 0.00 108 Q 8.06 3.52 0.00 1.62 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.60 0.00 0.00 0.00 0.00 0.00 1.93 1.16 0.00 109 T 7.12 3.30 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 -0.04 0.00 0.00 110 A 7.33 3.35 0.36 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 K 6.94 2.48 0.00 0.90 1.32 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.12 1.18 7.81 112 C 7.46 3.94 0.00 2.83 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 0.00 113 F 7.54 4.14 0.00 2.58 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 0.00 0.00 0.00 0.00 114 S 6.76 3.31 0.00 4.19 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 0.00 115 E 7.70 4.05 0.00 1.81 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 2.27 2.29 0.00 116 N 7.97 4.65 0.00 2.74 2.81 0.00 0.00 6.97 7.29 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 0.00 117 A 7.22 3.98 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 0.00 118 D 8.77 4.76 0.00 2.80 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 0.00 119 G 7.40 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 0.00 0.00 0.00 120 Q 8.76 4.18 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.63 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 121 F 8.86 5.17 0.00 3.04 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 0.00 122 M 7.97 5.27 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.41 0.00 123 W 8.65 4.67 0.00 3.73 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 0.00 124 P 0.00 4.28 0.00 1.72 1.88 0.00 2.20 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.69 0.00