NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4198 8.2493 123.6022 51.7970 19.9427 176.5654 2 S 4.2521 8.4325 114.8647 56.6601 63.8834 172.3342 3 I 2.3339 8.6728 123.1866 59.7825 39.0566 175.3816 4 P 4.2037 0.0000 0.0000 62.8451 31.6555 176.2217 5 S 4.5923 8.3945 114.7428 59.4458 64.1347 174.9734 6 S 4.6192 7.8275 109.8442 57.6890 65.1561 173.6354 7 A 4.3212 7.9163 122.1222 52.8787 18.9844 177.6004 8 S 4.4867 8.6838 116.7838 61.1874 64.0514 174.8610 9 V 5.0981 7.7065 116.7156 60.5326 34.4394 174.3600 10 Q 4.9270 9.0231 123.3624 54.7895 33.0143 173.0298 11 L 4.2441 9.1727 129.6135 55.5378 42.1490 175.8760 12 D 4.5381 9.0430 128.2133 56.2726 41.1346 175.9472 13 S 4.9048 7.5079 111.3355 57.3881 66.3150 171.7652 14 Y 5.2546 8.2553 118.2535 55.8744 41.4994 173.3394 15 N 4.8823 9.3063 117.4362 53.2533 43.2137 172.5126 16 Y 6.2196 8.5701 121.2429 57.3804 42.0363 174.2863 17 D 4.7558 8.4246 128.2114 52.7882 40.0656 178.1571 18 G 3.3050 6.6216 111.3496 46.2460 0.0000 174.7975 19 S 4.6741 7.9788 113.5887 58.8730 65.6976 174.5371 20 T 5.1709 8.4673 115.1709 60.0763 70.4838 172.3242 21 F 5.8130 9.7794 131.9094 56.7931 41.6400 174.5674 22 S 4.1766 8.5060 119.7708 56.5483 67.3985 172.5609 23 G 3.6354 5.6505 106.0463 46.0391 0.0000 171.9023 24 K 5.0411 8.4766 121.3366 54.5354 35.5475 174.8540 25 I 4.9870 8.3035 124.2527 59.8418 41.9459 173.9223 26 Y 4.8558 9.2129 125.0072 57.4701 39.1581 174.6138 27 V 4.7576 9.2689 125.0756 60.5632 34.5651 174.4829 28 K 3.9692 9.0415 130.5273 56.0906 32.5171 177.3873 29 N 4.7147 8.9438 128.9535 53.2661 35.9554 174.6121 30 I 3.8502 7.9415 122.7161 63.5305 37.9890 176.5863 31 A 4.7486 7.4872 119.2058 50.5884 22.1629 175.4053 32 Y 4.0159 8.8214 120.8893 60.7450 38.9026 177.0656 33 S 4.3068 8.1554 117.4771 58.0409 61.7546 172.6553 34 K 4.9536 8.3189 126.1012 54.4469 36.1680 176.2280 35 K 4.3930 8.8939 122.4912 55.2626 35.2334 174.8666 36 V 4.9102 8.2213 127.9956 61.2119 34.1790 174.3134 37 T 5.1204 9.0030 117.0582 60.0258 73.0475 172.9944 38 V 4.4906 8.9684 123.4596 61.3589 33.5555 174.2776 39 V 4.7594 8.1910 129.2561 61.6333 33.1354 174.3359 40 Y 5.6115 8.1613 124.6440 55.6935 41.7812 173.7769 41 A 4.3749 8.7865 121.0818 49.9418 21.6849 175.5107 42 D 5.2752 7.3720 119.4401 52.8538 41.7532 180.9806 43 G 3.2487 8.7360 105.8937 47.5911 0.0000 174.8586 44 S 4.1382 7.6299 120.2386 57.9858 63.2064 173.4569 45 D 4.1401 8.2669 117.4770 55.9508 39.3504 173.1165 46 N 4.7693 7.6347 116.0161 51.6448 40.6101 174.9993 47 W 4.1281 8.7539 124.5584 57.0616 30.2794 175.4250 48 N 4.4704 8.7875 116.7506 55.6585 36.9662 173.0963 49 N 4.2422 8.8961 107.6995 55.5642 36.5185 174.2769 50 N 4.4048 8.2043 107.1533 54.3430 37.2444 176.2010 51 G 3.7097 8.4168 106.3907 46.3928 0.0000 174.4514 52 N 4.5939 7.7573 118.2197 51.9471 39.1500 173.8219 53 I 5.0387 8.1204 123.7292 59.2809 41.0296 175.2998 54 I 4.6284 8.6660 125.9303 59.4044 40.1677 174.5609 55 A 4.6087 8.8202 129.3106 51.5660 19.3056 176.7907 56 A 4.9040 8.9511 125.3195 51.0819 21.2613 176.0369 57 S 4.4524 9.0792 112.6379 56.2980 67.0861 173.4606 58 F 3.2944 7.1478 123.2570 58.5137 38.7740 174.6610 59 S 4.3350 8.0821 119.5444 57.1246 65.0758 174.1476 60 G 3.9863 5.5736 108.7915 45.5527 0.0000 170.0041 61 P 5.3898 0.0000 0.0000 61.5642 33.7023 174.6925 62 I 4.6828 8.0358 120.2308 59.3509 39.6401 176.1416 63 S 4.2134 8.9494 123.0525 59.5958 63.3572 174.2791 64 G 3.9809 8.7784 112.6823 46.0384 0.0000 172.5436 65 S 4.5691 7.8695 110.9807 57.2312 65.7906 172.2957 66 N 4.9158 8.6569 117.9182 53.4960 39.8959 173.1443 67 Y 5.0866 7.7796 114.8222 56.9112 40.4163 174.0669 68 E 4.7037 9.2644 118.3040 55.8716 33.9925 173.1948 69 Y 5.9084 8.6536 117.4522 55.7525 40.6611 175.2768 70 W 5.0087 8.7675 121.7128 55.1802 33.1796 173.9838 71 T 5.0841 9.2427 119.8062 60.2192 69.9478 172.8770 72 F 5.2973 8.1574 120.9698 55.4903 41.7193 173.4702 73 S 4.9782 8.5376 113.4137 57.5219 65.3440 172.9428 74 A 4.6286 8.9610 126.2253 51.2825 23.1453 175.1690 75 S 5.2920 8.9632 116.4038 57.1251 63.9774 174.5517 76 V 4.4721 8.2834 123.2382 61.0322 33.3200 173.8069 77 K 4.1468 9.1822 125.0760 58.9872 33.4391 177.2202 78 G 3.8774 7.8906 111.9235 43.5424 0.0000 172.7719 79 I 5.2245 7.8742 125.9750 60.0963 40.3555 173.4867 80 K 4.4116 8.5301 129.5229 57.9176 33.7231 175.6150 81 E 5.2337 7.5300 115.8834 55.1971 33.2995 173.3858 82 F 6.0193 8.8174 115.0887 56.2890 42.2601 172.3079 83 Y 5.6930 9.7267 116.9711 56.1028 42.2169 173.4788 84 I 5.1386 9.2326 120.3668 59.5278 39.9993 174.8522 85 K 4.9924 8.9732 127.8912 54.9914 35.2440 174.6408 86 Y 5.2074 8.7025 127.4297 56.6889 42.0318 173.1113 87 E 5.0386 9.3874 127.9646 54.7788 31.9129 175.7778 88 V 4.4373 8.5268 121.3271 61.2829 35.1298 173.4738 89 S 3.6183 9.6037 117.3868 60.1115 60.3644 172.4083 90 G 3.9416 8.1298 101.4784 46.3706 0.0000 173.2428 91 K 4.4295 8.1468 117.9555 54.2169 35.3122 175.3152 92 T 4.5585 7.3803 115.3069 62.3041 71.5559 173.3354 93 Y 4.8984 8.7769 124.0483 56.3724 41.8662 174.4021 94 Y 5.4184 8.7488 117.4548 56.5856 42.7930 174.8692 95 D 4.9929 9.8550 121.7741 52.4175 43.3704 175.1801 96 N 4.7403 8.5613 122.6391 51.8435 38.3272 174.3603 97 N 3.8641 8.7989 113.3101 56.6899 36.6017 173.3275 98 N 3.9100 8.6411 116.8121 54.4111 36.8389 174.6228 99 S 3.5719 8.0803 105.6847 59.2375 61.9957 172.4956 100 A 4.3052 7.6764 122.2453 51.7363 19.8634 178.1222 101 N 3.9391 7.9981 115.5242 52.5890 38.7292 172.7835 102 Y 4.3330 7.8554 115.7718 57.1357 39.7253 175.3315 103 Q 4.5797 8.3827 122.4718 54.3761 29.8483 175.6409 104 V 4.0773 8.0449 125.5074 62.7812 32.1950 175.6347 105 S 4.7583 8.6302 120.2814 57.5704 66.0211 174.3651 106 T 4.1902 8.5950 116.0596 62.4912 67.1236 174.2886 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 8.25 4.42 1.48 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 0.00 0.00 2 S 8.43 4.25 0.00 4.05 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 3 I 8.67 2.33 1.43 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.36 0.73 0.00 0.00 4 P 0.00 4.20 0.00 1.15 1.77 0.00 2.37 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.12 0.00 5 S 8.39 4.59 0.00 3.98 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.83 4.62 0.00 3.83 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.92 4.32 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 8 S 8.68 4.49 0.00 3.60 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.71 5.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.96 0.00 0.00 10 Q 9.02 4.93 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.04 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 11 L 9.17 4.24 0.00 1.69 1.62 1.12 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 12 D 9.04 4.54 0.00 1.98 2.42 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 0.00 13 S 7.51 4.90 0.00 3.80 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.26 5.25 0.00 3.08 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 9.31 4.88 0.00 2.66 2.55 0.00 0.00 7.02 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.57 6.22 0.00 3.16 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 17 D 8.42 4.76 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 18 G 6.62 3.31 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 0.00 19 S 7.98 4.67 0.00 3.87 4.04 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 20 T 8.47 5.17 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 1.28 0.00 0.00 21 F 9.78 5.81 0.00 2.68 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 22 S 8.51 4.18 0.00 3.51 3.65 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 23 G 5.65 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 24 K 8.48 5.04 0.00 1.51 1.38 0.00 1.14 0.00 0.00 1.27 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.17 7.81 25 I 8.30 4.99 2.09 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.67 0.94 0.00 0.00 26 Y 9.21 4.86 0.00 2.94 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 9.27 4.76 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 0.23 0.00 0.00 0.61 0.00 0.00 28 K 9.04 3.97 0.00 1.86 1.66 0.00 1.66 0.00 0.00 1.42 0.00 0.00 2.67 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.12 0.56 7.81 29 N 8.94 4.71 0.00 2.86 2.74 0.00 0.00 7.28 8.38 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 30 I 7.94 3.85 1.88 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 1.15 0.76 0.91 0.00 0.00 31 A 7.49 4.75 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 32 Y 8.82 4.02 0.00 2.97 3.06 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 33 S 8.16 4.31 0.00 4.02 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 34 K 8.32 4.95 0.00 1.54 1.54 0.00 1.84 0.00 0.00 1.51 0.00 0.00 3.19 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.75 7.81 35 K 8.89 4.39 0.00 1.84 1.62 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.45 7.81 36 V 8.22 4.91 1.68 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 0.87 0.00 0.00 -0.29 0.00 0.00 37 T 9.00 5.12 4.22 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 1.23 0.00 0.00 38 V 8.97 4.49 1.66 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 0.69 0.00 0.00 -0.27 0.00 0.00 39 V 8.19 4.76 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 0.77 0.00 0.00 0.79 0.00 0.00 40 Y 8.16 5.61 0.00 3.01 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 41 A 8.79 4.37 0.05 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 0.00 0.00 42 D 7.37 5.28 0.00 2.76 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 43 G 8.74 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.63 4.14 0.00 3.82 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 45 D 8.27 4.14 0.00 2.72 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 46 N 7.63 4.77 0.00 2.74 2.58 0.00 0.00 7.08 7.95 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 47 W 8.75 4.13 0.00 3.53 3.31 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 48 N 8.79 4.47 0.00 2.87 2.74 0.00 0.00 7.34 6.71 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 49 N 8.90 4.24 0.00 2.89 2.86 0.00 0.00 7.34 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 50 N 8.20 4.40 0.00 2.93 3.00 0.00 0.00 6.76 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.42 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 0.00 0.00 0.00 52 N 7.76 4.59 0.00 1.97 1.75 0.00 0.00 6.90 7.39 0.00 0.00 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 I 8.12 5.04 1.87 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 1.31 0.56 0.91 0.00 0.00 54 I 8.67 4.63 1.77 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.45 0.98 0.00 0.00 55 A 8.82 4.61 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 56 A 8.95 4.90 1.59 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 0.00 0.00 0.00 57 S 9.08 4.45 0.00 3.66 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 58 F 7.15 3.29 0.00 1.99 2.53 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 59 S 8.08 4.33 0.00 3.62 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 60 G 5.57 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 0.00 0.00 0.00 61 P 0.00 5.39 0.00 2.21 2.31 0.00 3.80 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 2.03 2.12 0.00 62 I 8.04 4.68 2.00 0.00 0.00 0.39 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 0.53 0.95 0.00 0.00 63 S 8.95 4.21 0.00 3.91 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 64 G 8.78 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 65 S 7.87 4.57 0.00 3.84 3.77 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 66 N 8.66 4.92 0.00 2.73 2.49 0.00 0.00 6.79 7.56 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 67 Y 7.78 5.09 0.00 2.90 2.83 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 68 E 9.26 4.70 0.00 2.43 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 2.69 2.86 0.00 69 Y 8.65 5.91 0.00 2.81 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 70 W 8.77 5.01 0.00 3.24 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 9.24 5.08 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 1.07 0.00 0.00 72 F 8.16 5.30 0.00 3.06 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 73 S 8.54 4.98 0.00 3.72 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 74 A 8.96 4.63 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 75 S 8.96 5.29 0.00 3.82 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.28 4.47 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 0.39 0.00 0.00 0.81 0.00 0.00 77 K 9.18 4.15 0.00 1.94 2.03 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.41 7.81 78 G 7.89 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.87 5.22 1.19 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.01 -0.02 0.00 0.00 80 K 8.53 4.41 0.00 1.82 1.57 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.40 7.81 81 E 7.53 5.23 0.00 2.20 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 2.21 2.15 0.00 82 F 8.82 6.02 0.00 3.41 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 9.73 5.69 0.00 3.19 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 84 I 9.23 5.14 2.14 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.00 0.98 0.00 0.00 85 K 8.97 4.99 0.00 2.03 1.68 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.13 1.28 7.81 86 Y 8.70 5.21 0.00 2.90 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 87 E 9.39 5.04 0.00 1.85 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 2.22 2.08 0.00 88 V 8.53 4.44 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 0.23 0.00 0.00 0.92 0.00 0.00 89 S 9.60 3.62 0.00 3.97 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 90 G 8.13 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 91 K 8.15 4.43 0.00 1.76 1.02 0.00 1.38 0.00 0.00 1.47 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.48 7.81 92 T 7.38 4.56 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 0.79 0.00 0.00 93 Y 8.78 4.90 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 94 Y 8.75 5.42 0.00 2.77 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 95 D 9.86 4.99 0.00 3.10 2.86 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 96 N 8.56 4.74 0.00 2.83 2.77 0.00 0.00 6.03 6.96 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 97 N 8.80 3.86 0.00 1.44 1.75 0.00 0.00 7.25 6.71 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 98 N 8.64 3.91 0.00 2.81 2.79 0.00 0.00 7.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.08 3.57 0.00 3.92 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 0.00 100 A 7.68 4.31 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 0.00 101 N 8.00 3.94 0.00 2.89 3.14 0.00 0.00 6.93 7.38 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 0.00 102 Y 7.86 4.33 0.00 1.43 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 0.00 0.00 0.00 0.00 103 Q 8.38 4.58 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 104 V 8.04 4.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.82 0.00 0.00 105 S 8.63 4.76 0.00 4.15 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 0.00 106 T 8.60 4.19 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 1.23 0.00 0.00