NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4150 8.3044 120.3243 54.6016 33.4421 174.4972 2 K 3.9483 8.3097 121.8513 56.0141 32.8605 175.4076 3 K 4.0566 9.4409 126.9053 58.6506 33.3753 175.6534 4 H 4.8794 7.6665 113.1321 54.3209 31.7855 173.5646 5 G 3.9312 8.5923 108.5075 45.4279 0.0000 172.9442 6 I 3.7767 7.9891 118.2813 60.8558 38.4041 175.6555 7 L 4.0376 8.4637 128.4660 57.7887 42.4957 177.5660 8 N 4.4492 8.0721 118.0781 53.0163 39.8548 175.1389 9 S 4.0616 8.6330 123.6093 62.0436 63.0286 176.1286 10 H 4.1809 7.9702 119.7728 58.4524 28.4286 177.6346 11 L 4.0160 8.8570 120.8278 57.5539 41.3703 179.2584 12 A 3.9998 8.4425 121.1792 55.3723 18.1226 179.7846 13 K 3.9376 7.7666 115.3189 59.6252 32.2459 179.4688 14 I 3.8827 7.4767 120.0700 64.4659 37.1355 178.4413 15 L 3.9952 8.2637 119.9108 57.7929 41.2086 179.2825 16 A 4.0405 8.2115 120.1688 55.0570 18.3529 178.5500 17 D 4.6741 7.6723 114.2566 53.4797 41.5563 177.0386 18 L 4.1094 7.4502 120.8964 55.1133 42.1748 176.8367 19 G 4.1840 9.2716 112.4358 43.1032 0.0000 171.8137 20 H 4.2332 8.6345 119.5596 58.3129 29.8058 175.4593 21 T 3.5314 8.8820 116.8612 61.2473 68.3058 171.7943 22 D 4.6543 8.1197 122.5409 54.6180 42.2863 175.3732 23 K 5.2422 8.5206 119.0714 54.6846 36.4088 175.2807 24 I 5.0747 8.4334 115.5564 59.1556 41.6350 174.1430 25 V 4.9810 8.7260 122.5114 61.2368 34.9539 174.1687 26 I 5.0859 8.9615 127.0746 59.6459 39.7114 174.5895 27 A 5.2905 9.3775 128.7010 49.9445 22.7713 174.8583 28 D 5.1227 8.0010 117.3091 52.0357 41.5502 177.3215 29 A 4.1846 8.7707 121.0615 53.7811 18.2000 178.3178 30 G 3.8406 8.6974 104.0133 44.8050 0.0000 174.0067 31 L 4.0367 7.5296 122.8482 54.2079 42.4538 174.9046 32 P 4.3929 0.0000 0.0000 62.5284 32.1444 175.6063 33 V 4.2216 8.0205 120.2498 60.3255 32.9252 173.8831 34 P 4.3485 0.0000 0.0000 62.5152 31.8542 175.5371 35 D 4.5510 8.4430 121.5435 56.0838 41.0882 177.1402 36 G 3.9024 9.0742 112.4698 44.7870 0.0000 172.9802 37 V 4.1006 7.1334 119.8385 61.0849 32.4909 175.5269 38 L 3.9740 8.6482 130.1789 55.7489 43.0287 175.1742 39 K 4.8562 8.6810 127.3727 54.8658 33.9947 175.1807 40 I 4.2947 8.7136 129.1765 59.6671 39.1840 174.3026 41 D 5.0311 8.6343 128.0317 53.4279 41.2807 175.8474 42 L 4.7009 9.0689 126.4910 54.5397 42.6861 177.6483 43 S 4.3996 8.2239 114.6799 58.6188 63.4480 173.5554 44 L 4.5130 8.5005 124.7439 56.1048 43.9060 176.2831 45 K 4.2230 7.7223 114.0844 55.1188 34.5377 171.9140 46 P 3.3829 0.0000 0.0000 64.6139 30.7900 176.6138 47 G 4.0044 9.6987 114.0095 44.5383 0.0000 172.6736 48 L 4.9164 8.2451 120.3069 52.1345 45.0200 174.6504 49 P 4.8631 0.0000 0.0000 62.1598 33.3785 175.4906 50 A 4.3918 8.4272 122.6259 51.7650 19.4168 178.2854 51 F 4.1634 9.2833 123.0074 61.6516 39.3519 177.9819 52 Q 3.2466 7.8851 116.7768 58.8437 28.4439 178.3110 53 D 4.3123 7.8482 119.1627 57.7870 40.8914 178.9886 54 T 3.8304 7.9180 115.7713 66.6504 68.5999 176.6410 55 A 4.0011 8.0696 122.6040 54.8675 18.3863 179.6639 56 A 3.9110 8.2233 119.6374 55.3433 18.4073 179.9431 57 V 3.5469 7.7472 116.8140 66.3131 31.5982 178.3021 58 L 4.0467 8.0596 118.3908 57.6181 41.1823 179.3445 59 A 4.1396 7.6947 119.8867 54.8027 18.3282 178.7870 60 E 4.0906 7.9257 116.5153 57.8678 29.7663 176.8624 61 E 4.5945 7.9161 116.6224 56.0585 31.2151 175.0296 62 M 4.6221 7.9741 117.9662 53.2723 35.2336 174.5858 63 A 4.3621 8.4914 127.2536 51.4018 19.5969 175.9676 64 V 4.6954 8.4089 122.2937 62.3810 32.4538 175.3884 65 E 4.6126 8.9735 125.0756 56.3763 31.4402 175.2942 66 K 4.7360 7.4501 119.8148 55.5749 35.8108 173.8391 67 V 4.7442 8.9443 125.7395 61.0585 34.9884 174.1987 68 I 5.1163 8.7998 127.2725 59.6642 40.8507 174.3554 69 A 4.7429 8.6584 126.0837 50.3897 23.5007 174.9956 70 A 4.7148 7.9954 121.5613 51.3687 19.8490 178.9222 71 A 4.0604 9.1737 124.6285 55.2285 18.2470 180.0721 72 E 3.6076 7.9087 116.3284 58.8829 29.2482 178.9392 73 I 3.7610 7.6996 118.8311 63.5148 37.7767 177.6921 74 K 4.0568 7.9549 118.3954 58.4267 31.9144 178.9175 75 A 4.0837 7.5965 120.2704 54.9523 18.8015 178.8042 76 S 4.5614 7.5862 111.1856 58.6101 65.6004 174.3866 77 N 5.0845 7.7438 118.4323 51.5603 38.6205 174.6766 78 Q 4.0744 7.9361 120.9357 58.7898 29.3041 178.1025 79 E 3.9790 8.2038 119.9574 59.7143 29.7948 178.6887 80 N 4.6353 8.2496 115.4057 55.9819 38.5504 177.2589 81 A 4.2243 8.0323 122.5928 54.9900 18.4974 179.8751 82 K 4.0203 8.6303 117.5553 59.3824 32.0839 179.0971 83 F 4.1265 8.4764 121.0754 61.5238 39.3930 176.8712 84 L 4.0916 8.2899 119.6203 58.3670 41.6455 178.8301 85 E 4.0788 7.9338 117.2741 59.6491 29.5203 178.8354 86 N 4.4591 8.0365 115.3616 55.9000 38.6524 177.0248 87 L 3.6499 7.7162 121.5036 56.7861 41.8651 178.2677 88 F 4.8472 7.7886 117.3303 55.8218 36.6841 176.6091 89 S 4.0908 7.8250 117.7973 62.1036 63.4736 176.9012 90 E 4.0916 8.1927 117.5047 59.4225 29.4574 177.5364 91 Q 4.2670 7.2382 115.4468 55.9582 30.0471 175.9629 92 E 4.2744 8.2887 121.9362 55.7986 30.9774 175.1095 93 I 4.7364 8.4419 127.8425 59.7627 39.1163 174.2322 94 E 4.6836 9.0054 129.3586 54.5024 31.8691 174.0362 95 Y 5.2453 8.6758 123.7516 56.4241 40.3045 174.8072 96 L 5.1351 8.9041 122.7163 52.3809 46.7115 176.3180 97 S 4.4747 8.5738 114.4462 58.3599 63.9166 174.5826 98 H 4.1856 9.2142 122.2422 59.8782 29.5509 177.2730 99 E 3.9798 8.3511 119.5175 59.8281 29.3346 179.2597 100 E 4.0357 8.2950 118.3542 59.0746 29.5059 179.1158 101 F 4.0560 8.6087 121.2483 61.4001 39.2812 177.3285 102 K 3.9360 8.3076 116.9723 59.4833 31.9595 178.9818 103 L 4.0819 7.7004 118.8108 57.6854 41.5236 179.3309 104 L 3.9097 7.7721 120.5840 57.9290 42.0786 178.7957 105 T 3.8054 7.4292 109.3231 63.9040 68.2662 176.3684 106 K 4.0332 7.5279 121.1260 58.9856 32.1235 177.9860 107 D 4.5195 7.8704 117.0504 54.1124 41.4308 176.7892 108 A 4.2922 6.8343 122.2503 52.3488 18.8873 177.7672 109 K 4.2960 9.1357 120.1863 58.5666 32.8629 177.0311 110 A 4.5627 7.2903 118.9601 51.2676 22.5947 175.2045 111 V 4.6178 8.3548 119.6045 61.2195 34.4778 174.5736 112 I 4.6778 9.0595 130.1328 60.2269 38.7006 174.8007 113 R 4.7709 9.0164 129.5139 55.5791 31.4234 176.0649 114 T 4.6455 8.6585 117.8206 60.4366 71.5800 174.5641 115 G 4.1036 8.8301 107.2721 46.0477 0.0000 173.2866 116 E 4.3484 8.1584 122.6421 56.4179 30.6022 177.7041 117 F 4.8852 8.9428 127.2944 57.6159 39.9231 175.4602 118 T 4.6588 7.6527 109.1334 58.6538 71.2906 171.7086 119 P 3.8102 0.0000 0.0000 64.9873 31.7036 175.4434 120 Y 3.5346 7.5821 118.0241 58.9115 34.7637 172.1395 121 A 3.8583 7.1226 120.2153 50.7872 17.1648 176.8377 122 N 5.5865 6.8731 117.8648 51.2689 43.5068 174.5379 123 C 5.1620 9.2328 113.8638 57.7977 33.6946 172.4913 124 I 4.8899 9.2081 121.5068 59.6454 39.8235 174.5338 125 L 4.8205 8.7049 127.1639 53.0859 43.7643 175.1662 126 Q 4.8643 8.8891 126.4884 54.5276 30.7385 174.8078 127 A 4.4711 9.3765 129.1115 52.3739 19.6374 177.1356 128 G 4.1367 8.7898 109.8163 45.0135 0.0000 173.2144 129 V 4.3612 7.9096 112.7289 59.5780 34.8874 175.4840 130 L 4.4436 8.2169 121.5821 54.9656 42.0111 177.0338 131 F 4.4573 7.0429 119.5425 57.2913 37.3858 173.9132 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 M 8.30 4.42 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 2 K 8.31 3.95 0.00 1.78 1.70 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.51 7.81 3 K 9.44 4.06 0.00 1.48 1.57 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.37 7.81 4 H 7.67 4.88 0.00 3.12 3.20 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.59 3.93 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 0.00 0.00 0.00 6 I 7.99 3.78 1.89 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 1.31 0.87 0.97 0.00 0.00 7 L 8.46 4.04 0.00 1.63 1.68 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.07 4.45 0.00 2.81 2.70 0.00 0.00 6.96 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 9 S 8.63 4.06 0.00 4.02 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 10 H 7.97 4.18 0.00 3.34 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.86 4.02 0.00 1.81 1.74 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.44 4.00 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 13 K 7.77 3.94 0.00 1.93 1.91 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.65 7.81 14 I 7.48 3.88 2.06 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 1.54 1.68 0.93 0.00 0.00 15 L 8.26 4.00 0.00 1.81 1.74 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.21 4.04 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 17 D 7.67 4.67 0.00 2.63 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 18 L 7.45 4.11 0.00 1.77 1.64 0.94 0.62 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 G 9.27 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 0.00 0.00 0.00 0.00 20 H 8.63 4.23 0.00 3.00 3.20 0.00 5.77 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 21 T 8.88 3.53 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 1.01 0.00 0.00 22 D 8.12 4.65 0.00 2.71 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 23 K 8.52 5.24 0.00 1.61 1.59 0.00 1.54 0.00 0.00 1.80 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.53 7.81 24 I 8.43 5.07 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.92 0.92 0.00 0.00 25 V 8.73 4.98 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 1.02 0.00 0.00 0.87 0.00 0.00 26 I 8.96 5.09 2.14 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 1.24 0.79 1.05 0.00 0.00 27 A 9.38 5.29 1.28 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 28 D 8.00 5.12 0.00 2.89 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 29 A 8.77 4.18 1.34 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 0.00 0.00 0.00 30 G 8.70 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 0.00 0.00 0.00 31 L 7.53 4.04 0.00 1.64 1.64 1.10 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.39 0.00 2.22 2.03 0.00 3.83 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 2.00 1.96 0.00 33 V 8.02 4.22 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 0.87 0.00 0.00 0.95 0.00 0.00 34 P 0.00 4.35 0.00 2.19 1.94 0.00 3.64 0.00 0.00 3.94 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 35 D 8.44 4.55 0.00 2.65 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 36 G 9.07 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 0.00 0.00 0.00 37 V 7.13 4.10 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 0.74 0.00 0.00 0.91 0.00 0.00 38 L 8.65 3.97 0.00 1.81 1.55 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.68 4.86 0.00 1.79 1.68 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.45 7.81 40 I 8.71 4.29 1.90 0.00 0.00 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 1.09 0.67 0.94 0.00 0.00 41 D 8.63 5.03 0.00 2.70 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 42 L 9.07 4.70 0.00 1.55 1.71 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.22 4.40 0.00 4.05 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 44 L 8.50 4.51 0.00 1.56 1.66 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.72 4.22 0.00 1.83 1.79 0.00 1.54 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 1.30 7.81 46 P 0.00 3.38 0.00 1.61 0.77 0.00 3.47 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.53 0.00 47 G 9.70 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 0.00 0.00 0.00 48 L 8.25 4.92 0.00 1.48 1.52 0.89 0.91 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 49 P 0.00 4.86 0.00 2.13 2.18 0.00 3.73 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 2.11 2.00 0.00 50 A 8.43 4.39 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 51 F 9.28 4.16 0.00 3.15 3.18 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 52 Q 7.89 3.25 0.00 1.66 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 1.16 2.32 0.00 53 D 7.85 4.31 0.00 2.81 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 54 T 7.92 3.83 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 1.23 0.00 0.00 55 A 8.07 4.00 1.23 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 0.00 0.00 0.00 56 A 8.22 3.91 1.47 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 0.00 0.00 57 V 7.75 3.55 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 1.03 0.00 0.00 1.00 0.00 0.00 58 L 8.06 4.05 0.00 1.88 1.78 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.69 4.14 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 60 E 7.93 4.09 0.00 1.97 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 0.00 2.31 2.38 0.00 61 E 7.92 4.59 0.00 1.97 1.94 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 2.38 2.36 0.00 62 M 7.97 4.62 0.00 2.15 1.91 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 2.52 2.48 0.00 63 A 8.49 4.36 1.25 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 64 V 8.41 4.70 2.30 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 0.78 0.00 0.00 1.14 0.00 0.00 65 E 8.97 4.61 0.00 2.06 2.13 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 2.47 2.22 0.00 66 K 7.45 4.74 0.00 1.78 1.57 0.00 1.62 0.00 0.00 1.86 0.00 0.00 2.77 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.47 7.81 67 V 8.94 4.74 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 0.73 0.00 0.00 -0.07 0.00 0.00 68 I 8.80 5.12 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.47 1.04 0.00 0.00 69 A 8.66 4.74 1.04 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 0.00 0.00 70 A 8.00 4.71 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 71 A 9.17 4.06 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 72 E 7.91 3.61 0.00 1.16 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 0.00 0.00 0.00 1.84 2.07 0.00 73 I 7.70 3.76 2.00 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 1.70 1.42 1.10 0.00 0.00 74 K 7.95 4.06 0.00 1.71 1.71 0.00 1.24 0.00 0.00 1.36 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.10 7.81 75 A 7.60 4.08 1.23 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 0.00 0.00 0.00 76 S 7.59 4.56 0.00 3.89 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 77 N 7.74 5.08 0.00 2.81 2.68 0.00 0.00 7.10 7.65 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 78 Q 7.94 4.07 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 79 E 8.20 3.98 0.00 2.07 2.00 0.00 0.00 0.00 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 2.46 0.00 80 N 8.25 4.64 0.00 2.98 3.04 0.00 0.00 6.89 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 81 A 8.03 4.22 1.53 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 0.00 0.00 82 K 8.63 4.02 0.00 2.05 1.94 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.72 7.81 83 F 8.48 4.13 0.00 3.23 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.29 4.09 0.00 2.38 1.87 1.28 1.22 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 85 E 7.93 4.08 0.00 2.17 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 0.00 2.59 2.70 0.00 86 N 8.04 4.46 0.00 2.69 2.78 0.00 0.00 7.03 7.19 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 87 L 7.72 3.65 0.00 0.68 1.31 0.46 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 88 F 7.79 4.85 0.00 3.17 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 89 S 7.82 4.09 0.00 3.83 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 90 E 8.19 4.09 0.00 1.98 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 2.31 2.32 0.00 91 Q 7.24 4.27 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.78 0.00 0.00 0.00 0.00 0.00 2.65 2.44 0.00 92 E 8.29 4.27 0.00 1.98 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 0.00 2.27 2.29 0.00 93 I 8.44 4.74 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.79 0.68 0.00 0.00 94 E 9.01 4.68 0.00 1.97 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 0.00 2.24 2.28 0.00 95 Y 8.68 5.25 0.00 2.86 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 96 L 8.90 5.14 0.00 1.68 1.60 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.57 4.47 0.00 4.03 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 98 H 9.21 4.19 0.00 3.48 3.50 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.35 3.98 0.00 2.05 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 2.47 2.40 0.00 100 E 8.29 4.04 0.00 2.20 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 2.36 2.48 0.00 101 F 8.61 4.06 0.00 3.14 3.30 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 0.00 102 K 8.31 3.94 0.00 1.89 1.85 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.53 7.81 103 L 7.70 4.08 0.00 1.89 1.68 0.91 0.51 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 0.00 104 L 7.77 3.91 0.00 1.79 1.41 0.82 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.43 3.81 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 0.82 0.00 0.00 106 K 7.53 4.03 0.00 1.74 1.88 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.55 7.81 107 D 7.87 4.52 0.00 2.69 2.67 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 0.00 108 A 6.83 4.29 1.23 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 0.00 0.00 0.00 109 K 9.14 4.30 0.00 1.62 1.88 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.59 1.54 7.81 110 A 7.29 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.35 4.62 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 1.10 0.00 0.00 0.94 0.00 0.00 112 I 9.06 4.68 1.94 0.00 0.00 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 1.15 0.64 0.96 0.00 0.00 113 R 9.02 4.77 0.00 1.91 1.83 0.00 3.10 0.00 0.00 3.50 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 114 T 8.66 4.65 4.56 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 1.37 0.00 0.00 115 G 8.83 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 0.00 116 E 8.16 4.35 0.00 2.35 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 2.29 2.48 0.00 117 F 8.94 4.89 0.00 2.90 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 0.00 118 T 7.65 4.66 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 1.28 0.00 0.00 119 P 0.00 3.81 0.00 2.16 2.02 0.00 3.82 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 2.04 2.06 0.00 120 Y 7.58 3.53 0.00 2.94 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 0.00 121 A 7.12 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 6.87 5.59 0.00 2.18 2.82 0.00 0.00 7.05 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 0.00 123 C 9.23 5.16 0.00 3.20 3.24 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 0.00 124 I 9.21 4.89 1.88 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.60 0.84 0.00 0.00 125 L 8.70 4.82 0.00 1.57 1.53 1.01 0.05 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 0.00 126 Q 8.89 4.86 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 127 A 9.38 4.47 1.28 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 0.00 128 G 8.79 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 0.00 129 V 7.91 4.36 1.69 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 0.20 0.00 0.00 0.46 0.00 0.00 130 L 8.22 4.44 0.00 1.82 1.80 0.98 0.79 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 0.00 131 F 7.04 4.46 0.00 3.11 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