NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.0347 8.2493 123.5691 51.2981 19.6591 176.5738 5 P 4.3939 0.0000 0.0000 61.5576 32.9627 171.8322 6 E 4.6020 10.4854 123.6422 54.3509 32.9888 175.5569 7 L 5.0606 8.5784 126.7239 53.0839 43.4505 175.7354 8 R 4.6021 8.7726 121.2754 54.2044 31.9573 174.8942 9 I 4.6273 7.9956 122.0015 59.0385 41.0341 174.2557 10 F 5.1860 8.3364 122.1353 54.7830 41.6041 172.8337 11 P 5.1352 0.0000 0.0000 61.9283 32.5250 176.1013 12 K 4.2240 8.6037 116.7533 59.3612 32.8582 176.4249 13 K 4.6480 7.5166 116.1161 56.5866 35.4434 174.6305 14 M 4.5770 9.0306 120.6904 54.4414 35.7487 173.2024 15 D 5.1628 8.8234 126.3498 52.7940 42.0206 175.1068 16 A 4.5609 8.2987 125.9847 50.1974 21.4367 175.5034 17 E 4.6984 8.8925 120.8095 54.5765 31.6226 176.2111 18 L 4.4983 8.6327 123.2941 56.9486 42.1088 177.8748 19 G 3.9901 9.4590 112.4789 45.0594 0.0000 173.6128 20 Q 4.3912 7.9249 117.9980 55.5316 30.4410 175.5917 21 K 4.9145 8.4143 119.7719 56.0894 33.7262 176.8538 22 V 4.4066 8.5323 121.9948 60.3784 34.8166 173.4235 23 D 5.3240 8.7112 124.2081 52.5333 42.9965 175.5987 24 L 4.9795 8.7211 122.6666 52.8843 45.1428 175.6843 25 V 5.3349 9.2215 122.6832 61.3898 35.3489 173.6894 26 C 5.0820 9.8152 126.8594 57.6051 34.7813 171.8725 27 E 5.1602 9.1620 128.1952 54.5365 31.3834 174.7003 28 V 4.5386 8.7125 127.9797 60.4738 32.6451 175.3204 29 L 4.4609 10.2827 127.2164 52.9260 43.4371 176.7245 30 G 4.1354 8.1237 110.3704 43.8261 0.0000 171.5920 31 S 4.6455 8.2446 115.4099 56.5267 63.1828 174.2247 32 V 4.5419 7.9931 120.0944 59.9099 35.2395 175.7388 33 S 4.4472 8.6958 118.3959 59.7004 63.5888 174.6140 34 Q 4.5493 7.8050 118.2512 54.1940 30.3065 175.2078 35 G 4.1732 8.7441 106.9910 45.5623 0.0000 172.1737 36 C 4.7500 7.3622 118.7711 57.4655 34.0343 173.2515 37 S 5.2851 8.7216 121.0529 56.5588 65.9831 172.8637 38 W 5.0165 8.7420 123.5771 55.0602 31.4338 175.1837 39 L 5.2831 8.7642 123.7226 53.2780 46.2182 175.0183 40 F 4.9072 8.0860 112.2615 56.2175 41.4838 172.8457 41 Q 4.7270 8.6344 120.0892 53.6984 30.8420 175.4722 42 N 5.3155 8.7793 121.2353 52.5167 38.1908 175.1604 43 S 4.5999 8.7854 114.6968 61.0576 63.8727 175.1841 44 S 4.5367 7.6648 118.1105 55.3887 61.1851 171.8866 45 S 4.5000 7.5070 111.9312 57.2442 64.5175 175.7912 46 K 3.9594 8.2801 129.1328 58.7855 32.3761 176.7184 47 L 4.0050 7.6630 130.5667 54.5412 41.7707 176.4779 48 P 4.5286 0.0000 0.0000 62.9289 28.8218 175.5327 49 Q 4.2156 7.6005 121.2055 55.0558 30.0742 173.5017 50 P 4.5499 0.0000 0.0000 63.1538 32.7384 175.7683 51 T 4.5062 8.3209 119.1378 61.5070 71.0673 173.4457 52 F 4.4934 9.0141 129.5221 58.6308 40.0537 173.9991 53 V 4.1344 8.0672 125.3161 63.9325 33.1529 175.2837 54 V 4.3988 6.0233 117.4296 61.8467 35.0334 170.8887 55 Y 5.2190 8.7892 124.7539 56.0551 42.4236 173.6919 56 M 4.8396 8.0481 125.3603 52.9762 35.0404 175.3977 57 A 3.9640 8.5012 126.0276 52.2910 18.9289 177.2013 58 S 4.4652 8.6206 114.1919 60.3160 63.2050 175.7549 59 S 4.4260 7.9702 111.8680 59.6793 63.3985 172.5131 60 H 4.7025 7.4630 114.9620 54.6971 31.1209 172.0195 61 N 4.6699 8.4828 118.1880 52.4086 38.3832 173.5802 62 K 4.6283 8.0760 126.0229 55.3800 35.8896 174.0214 63 I 4.9469 8.5743 127.7032 59.7718 40.2774 174.9135 64 T 4.7500 8.9701 122.9204 61.7706 71.3318 173.4058 65 W 5.2962 9.0051 126.0920 54.8290 31.7761 175.6118 66 D 4.7594 9.2403 122.5895 54.8983 41.4227 176.4585 67 E 4.7631 9.0064 124.1519 56.3079 30.3333 177.1660 68 K 4.1602 8.4290 119.7038 59.2197 32.1509 178.1267 69 L 4.4685 8.9295 115.1625 53.7177 42.9132 175.9242 70 N 4.3017 8.0509 115.7917 54.4852 35.9286 175.7345 71 S 4.4745 8.0628 114.6688 60.9937 63.1286 176.5122 72 S 2.0000 7.5471 115.9358 60.0163 62.6677 175.9982 73 K 3.9858 7.5743 121.2589 58.1425 32.1395 177.2954 74 L 4.5388 7.7270 117.2798 54.3465 43.7513 176.1050 75 F 5.4452 7.9932 115.8043 55.6934 43.2845 174.2256 76 S 5.1984 8.9867 114.7354 56.9638 66.6750 173.3145 77 A 5.3919 8.9066 123.6832 50.6539 21.9156 175.0323 78 M 4.9560 9.3691 118.6142 54.1892 35.4640 173.7105 79 R 4.9508 8.3706 118.4100 54.9363 33.3939 173.5350 80 D 5.0657 8.4085 124.5274 51.4205 42.2992 177.2758 81 T 3.9820 8.5852 108.5452 63.6116 68.6795 174.3044 82 N 4.8329 8.4004 119.8691 53.2565 39.3344 174.1917 83 N 3.7936 7.5613 112.2885 54.6381 36.9700 174.4322 84 K 4.9674 7.5318 116.2477 54.9771 35.2875 175.6971 85 Y 5.1795 9.6186 124.1653 56.2422 40.4901 175.0191 86 V 5.0548 9.6345 124.7005 61.0084 34.8946 173.8966 87 L 5.0212 8.8344 129.4910 53.2892 44.8874 174.8492 88 T 5.0082 8.6091 116.8701 59.6665 71.5429 173.2740 89 L 3.7922 8.9038 127.5404 54.2177 41.8190 177.7384 90 N 4.2669 8.3686 123.1830 55.8887 39.3024 175.6129 91 K 4.3717 7.5721 119.5362 54.8545 33.9839 175.1719 92 F 4.2454 9.6137 131.8738 58.6990 40.4185 174.0861 93 S 4.5111 7.3560 118.7409 55.9226 66.5510 174.5544 94 K 3.6733 8.5601 121.5801 59.7735 31.8569 178.4432 95 E 4.1357 7.6223 116.5892 58.2445 29.3625 177.0898 96 N 4.5879 7.7451 115.2418 52.7050 39.6693 174.7300 97 E 4.4601 8.1278 121.9888 56.2965 30.9937 176.4810 98 G 4.0941 8.2962 111.9109 47.0132 0.0000 170.6550 99 Y 5.3429 8.2667 118.7113 56.9236 39.3906 175.3656 100 Y 5.2297 9.5087 123.4770 57.3699 40.4158 174.8997 101 F 5.4242 8.8823 115.2402 56.3863 41.8127 172.7433 102 C 4.7571 8.7636 115.1502 56.7756 32.6306 172.3575 103 S 5.1112 8.6672 113.3638 57.0851 66.0418 173.0607 104 V 4.7781 8.5748 117.9112 59.7026 36.1328 174.2025 105 I 4.9806 8.3915 123.9562 59.6413 39.5959 175.2189 106 S 4.4292 8.8654 120.7487 57.6684 65.2530 173.5492 107 N 3.9592 9.7794 126.3563 54.7860 35.7181 174.9613 108 S 3.7681 8.0775 108.9677 58.8688 61.5525 171.7948 109 V 4.0958 7.4921 121.2820 61.0965 32.7021 174.1877 110 M 4.6040 8.1878 126.8997 54.8249 32.8399 175.0524 111 Y 4.4238 8.8305 121.8425 56.0332 40.9036 174.8557 112 F 5.5914 8.5037 121.0622 55.7834 42.4077 175.5630 113 S 4.6387 8.5808 117.1637 57.4052 64.9790 173.8369 114 S 4.3852 8.5197 115.6001 58.4894 63.2600 173.7506 115 V 4.4516 8.1419 122.1709 62.3266 32.4332 175.1848 116 V 4.4487 9.4061 128.7076 60.7490 33.1675 172.9377 117 P 4.8127 0.0000 0.0000 62.5582 32.8600 175.7333 118 V 4.5465 9.3152 125.1158 60.9265 32.7806 173.7202 119 L 5.2486 8.3863 126.5487 52.0857 45.2645 175.6042 120 Q 4.4916 10.4814 124.7629 56.3451 29.4082 175.3071 121 K 4.4735 8.8738 128.9048 54.9288 33.7189 176.1844 122 V 3.8772 8.2534 126.8583 62.6592 32.2895 176.0514 123 S 4.3450 8.7889 123.8820 61.5544 63.0807 174.8240 124 S 4.3604 7.7824 112.9838 57.0954 63.0675 173.4370 125 A 4.1743 8.4892 128.0809 52.5949 18.0885 177.3510 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 4 A 8.25 4.03 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 5 P 0.00 4.39 0.00 1.93 1.83 0.00 2.36 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.53 0.00 6 E 10.49 4.60 0.00 1.83 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 2.16 2.23 0.00 7 L 8.58 5.06 0.00 1.50 1.50 0.82 0.86 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 8 R 8.77 4.60 0.00 1.82 2.02 0.00 2.80 0.00 0.00 3.50 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 9 I 8.00 4.63 1.78 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.29 0.97 0.00 0.00 10 F 8.34 5.19 0.00 3.19 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 11 P 0.00 5.14 0.00 2.38 2.20 0.00 3.89 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 2.08 1.97 0.00 12 K 8.60 4.22 0.00 1.95 2.06 0.00 1.65 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.48 7.81 13 K 7.52 4.65 0.00 1.78 1.84 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.41 7.81 14 M 9.03 4.58 0.00 1.96 1.81 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 15 D 8.82 5.16 0.00 2.52 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.30 4.56 0.24 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 17 E 8.89 4.70 0.00 2.04 1.86 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 2.25 2.23 0.00 18 L 8.63 4.50 0.00 1.67 1.66 0.94 1.02 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 19 G 9.46 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 20 Q 7.92 4.39 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 21 K 8.41 4.91 0.00 1.62 1.72 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.39 7.81 22 V 8.53 4.41 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 0.73 0.00 0.00 0.74 0.00 0.00 23 D 8.71 5.32 0.00 2.56 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.72 4.98 0.00 0.61 1.43 0.45 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 25 V 9.22 5.33 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 1.37 0.00 0.00 1.11 0.00 0.00 26 C 9.82 5.08 0.00 2.52 2.61 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 0.00 0.00 0.00 0.00 27 E 9.16 5.16 0.00 2.44 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 2.31 2.33 0.00 28 V 8.71 4.54 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 1.01 0.00 0.00 0.91 0.00 0.00 29 L 10.28 4.46 0.00 1.56 1.62 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.12 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 31 S 8.24 4.65 0.00 3.80 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 32 V 7.99 4.54 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 0.72 0.00 0.00 0.99 0.00 0.00 33 S 8.70 4.45 0.00 3.87 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 34 Q 7.80 4.55 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 35 G 8.74 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 0.00 0.00 0.00 0.00 36 C 7.36 4.75 0.00 1.73 1.18 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 0.00 37 S 8.72 5.29 0.00 3.84 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 38 W 8.74 5.02 0.00 2.98 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 39 L 8.76 5.28 0.00 0.27 1.10 1.20 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.09 4.91 0.00 2.27 1.72 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 41 Q 8.63 4.73 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.98 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 42 N 8.78 5.32 0.00 2.98 2.94 0.00 0.00 6.41 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 43 S 8.79 4.60 0.00 4.13 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 44 S 7.66 4.54 0.00 3.93 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 45 S 7.51 4.50 0.00 3.79 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 46 K 8.28 3.96 0.00 1.79 1.72 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.48 7.81 47 L 7.66 4.00 0.00 1.62 1.65 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.53 0.00 2.13 2.08 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 49 Q 7.60 4.22 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.15 7.03 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 50 P 0.00 4.55 0.00 2.04 2.15 0.00 3.67 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 2.06 2.18 0.00 51 T 8.32 4.51 3.45 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 1.28 0.00 0.00 52 F 9.01 4.49 0.00 2.98 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 V 8.07 4.13 1.89 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 0.24 0.00 0.00 0.93 0.00 0.00 54 V 6.02 4.40 1.54 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 -0.71 0.00 0.00 0.14 0.00 0.00 55 Y 8.79 5.22 0.00 3.38 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 56 M 8.05 4.84 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 57 A 8.50 3.96 1.14 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 58 S 8.62 4.47 0.00 4.02 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 59 S 7.97 4.43 0.00 4.08 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 60 H 7.46 4.70 0.00 3.27 3.32 0.00 5.51 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 61 N 8.48 4.67 0.00 2.72 2.83 0.00 0.00 6.64 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 62 K 8.08 4.63 0.00 1.99 1.71 0.00 1.80 0.00 0.00 1.97 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.55 1.57 7.81 63 I 8.57 4.95 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.82 0.57 0.00 0.00 64 T 8.97 4.75 4.49 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 0.00 0.00 0.00 1.34 0.00 0.00 65 W 9.01 5.30 0.00 3.22 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 66 D 9.24 4.76 0.00 3.28 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 67 E 9.01 4.76 0.00 2.07 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 2.33 2.61 0.00 68 K 8.43 4.16 0.00 2.07 1.92 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.46 7.81 69 L 8.93 4.47 0.00 1.78 1.79 1.08 1.28 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 70 N 8.05 4.30 0.00 2.89 2.81 0.00 0.00 7.10 7.28 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 71 S 8.06 4.47 0.00 4.18 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 0.00 72 S 7.55 2.00 0.00 2.72 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 73 K 7.57 3.99 0.00 1.77 1.82 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.50 7.81 74 L 7.73 4.54 0.00 1.47 1.33 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 75 F 7.99 5.45 0.00 3.15 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 76 S 8.99 5.20 0.00 3.81 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 77 A 8.91 5.39 1.02 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 78 M 9.37 4.96 0.00 2.07 2.15 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 2.50 2.53 0.00 79 R 8.37 4.95 0.00 1.74 1.72 0.00 2.99 0.00 0.00 3.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 80 D 8.41 5.07 0.00 2.70 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 81 T 8.59 3.98 4.21 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 0.00 0.00 0.00 1.18 0.00 0.00 82 N 8.40 4.83 0.00 2.82 2.82 0.00 0.00 7.01 7.69 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 83 N 7.56 3.79 0.00 2.93 2.92 0.00 0.00 6.84 7.90 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 84 K 7.53 4.97 0.00 1.96 1.75 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.40 7.81 85 Y 9.62 5.18 0.00 2.99 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 86 V 9.63 5.05 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 1.08 0.00 0.00 1.03 0.00 0.00 87 L 8.83 5.02 0.00 0.27 0.13 0.50 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.61 5.01 4.58 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 1.24 0.00 0.00 89 L 8.90 3.79 0.00 1.46 1.37 0.70 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 90 N 8.37 4.27 0.00 2.58 2.79 0.00 0.00 6.78 7.63 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 91 K 7.57 4.37 0.00 1.62 1.57 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.47 7.81 92 F 9.61 4.25 0.00 3.14 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 93 S 7.36 4.51 0.00 3.66 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 94 K 8.56 3.67 0.00 1.76 1.78 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.53 7.81 95 E 7.62 4.14 0.00 1.86 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 2.33 2.33 0.00 96 N 7.75 4.59 0.00 2.41 2.77 0.00 0.00 6.90 7.63 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 97 E 8.13 4.46 0.00 2.23 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 2.66 0.00 98 G 8.30 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 99 Y 8.27 5.34 0.00 3.16 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 0.00 100 Y 9.51 5.23 0.00 3.11 3.17 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 0.00 101 F 8.88 5.42 0.00 3.17 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 0.00 102 C 8.76 4.76 0.00 2.20 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 0.00 103 S 8.67 5.11 0.00 4.14 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 0.00 104 V 8.57 4.78 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 0.48 0.00 0.00 0.88 0.00 0.00 105 I 8.39 4.98 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.53 0.89 0.00 0.00 106 S 8.87 4.43 0.00 3.79 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 0.00 107 N 9.78 3.96 0.00 2.92 2.86 0.00 0.00 7.20 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 0.00 108 S 8.08 3.77 0.00 4.01 3.97 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 0.00 0.00 0.00 109 V 7.49 4.10 1.86 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 0.25 0.00 0.00 0.85 0.00 0.00 110 M 8.19 4.60 0.00 1.46 1.78 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 111 Y 8.83 4.42 0.00 2.75 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 0.00 112 F 8.50 5.59 0.00 2.89 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 0.00 113 S 8.58 4.64 0.00 3.88 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 0.00 114 S 8.52 4.39 0.00 3.94 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 0.00 115 V 8.14 4.45 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 0.98 0.00 0.00 0.78 0.00 0.00 116 V 9.41 4.45 2.33 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 1.15 0.00 0.00 1.18 0.00 0.00 117 P 0.00 4.81 0.00 2.22 2.17 0.00 3.71 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 118 V 9.32 4.55 2.27 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 0.74 0.00 0.00 0.79 0.00 0.00 119 L 8.39 5.25 0.00 1.59 1.51 0.97 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 10.48 4.49 0.00 2.40 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 121 K 8.87 4.47 0.00 1.69 1.67 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.35 7.81 122 V 8.25 3.88 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 0.92 0.00 0.00 0.95 0.00 0.00 123 S 8.79 4.35 0.00 3.90 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 0.00 124 S 7.78 4.36 0.00 3.83 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 0.00 125 A 8.49 4.17 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