NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6616 8.1476 120.6185 55.7892 33.9373 173.8802 2 E 4.9500 8.4492 121.1841 54.6683 32.8292 172.5669 3 A 4.4989 9.1014 122.4616 50.2649 22.4391 177.3126 4 K 4.7797 8.4987 121.7387 55.5085 34.9302 176.4084 5 A 4.2106 7.9151 117.1332 51.8544 22.2896 175.4683 6 I 4.7454 8.5507 122.5301 60.2525 39.9233 176.2347 7 A 4.6687 8.6407 127.4994 50.0326 18.7776 176.1370 8 R 4.2262 8.3527 119.2960 56.0248 31.8393 175.1087 9 Y 3.3653 8.5565 114.8550 59.1806 35.4597 170.5319 10 V 3.9523 7.3931 120.0939 61.9551 32.8083 175.4435 11 R 4.3271 8.7702 127.6746 56.5289 28.6971 175.6042 12 I 3.9201 7.1865 121.7969 60.1659 42.1577 173.3057 13 S 4.2127 8.0019 122.2822 57.4390 63.1017 172.6425 14 P 4.1793 0.0000 0.0000 66.0447 30.7284 178.7979 15 R 4.0032 8.0961 116.0127 59.5901 29.7130 179.1898 16 K 3.8728 7.8452 116.7398 59.6651 32.4551 179.4005 17 V 3.8572 7.6758 111.9887 63.9190 31.3939 178.6110 18 R 3.9327 8.4111 118.6667 59.3333 29.6633 178.6355 19 L 3.9738 7.2208 117.1649 57.9609 42.0468 179.4144 20 V 3.7493 7.7801 117.2829 66.0123 31.5299 177.8376 21 V 3.5673 8.0470 118.1175 66.3475 31.2130 177.6936 22 D 4.5148 8.1860 116.7498 56.8750 40.6244 178.4952 23 L 4.2153 7.6816 119.5731 56.7241 42.0391 178.1861 24 I 4.4013 7.7346 110.7788 59.4604 38.0606 175.2897 25 R 3.9457 7.5880 121.8856 58.0978 30.0273 175.9058 26 G 4.1866 8.9246 113.4035 46.1940 0.0000 172.6779 27 K 4.6554 7.7623 118.3783 53.9164 34.4373 176.2668 28 S 4.5260 8.1272 114.4044 58.3535 64.1791 175.1562 29 L 3.9332 8.1341 127.6860 58.5203 41.8350 179.2111 30 E 3.9215 8.1680 118.6193 59.1226 29.4676 178.1807 31 E 3.9160 8.1980 118.6782 59.3171 29.8044 178.5746 32 A 4.0118 8.2760 120.9209 55.0763 18.5587 179.4959 33 R 3.8580 8.1418 116.7582 59.8984 30.0871 179.0511 34 N 4.4395 8.0265 115.6994 56.0779 38.5143 177.5496 35 I 3.7651 7.4756 121.4886 64.6045 37.0768 178.3813 36 L 4.0188 7.7225 118.2788 57.7323 41.4389 179.2289 37 R 3.8417 7.4855 117.5226 59.2701 30.0127 177.3492 38 Y 4.6994 7.2355 112.8920 56.8004 38.5912 175.4999 39 T 4.1112 7.2894 115.7498 61.8373 67.8850 174.8076 40 N 4.7153 8.5391 128.2583 51.8733 37.7978 173.4946 41 K 4.5600 7.5792 119.9756 53.7788 36.5513 176.8701 42 R 4.1418 8.7279 121.8036 59.5143 30.2840 179.0371 43 G 3.9275 8.3211 104.5158 47.0769 0.0000 175.2182 44 A 4.0422 7.6737 122.8476 55.4634 18.4623 178.8462 45 Y 3.8690 7.8097 117.7663 61.0813 38.4706 178.5498 46 F 4.1449 8.2764 117.9698 60.1880 39.0393 177.8226 47 V 3.6525 7.9139 117.5185 65.6001 31.2604 178.0183 48 A 3.8819 8.3648 121.0953 54.8057 18.2607 179.4560 49 K 3.6429 7.6838 118.3433 59.5575 32.2181 179.4312 50 V 3.5555 7.3353 119.0588 64.7729 31.1324 177.9686 51 L 3.8641 7.8863 120.3625 57.6320 42.0212 178.2329 52 E 4.0143 8.3622 119.5587 59.3935 29.5130 178.8487 53 S 4.0861 7.9811 112.7796 61.1227 62.4406 175.8704 54 A 3.9189 8.1335 123.5792 54.8291 18.0101 179.5662 55 A 3.8872 7.7562 119.1562 55.1148 18.4421 179.5457 56 A 3.9359 7.9357 118.8087 55.6194 18.2896 179.4201 57 N 4.2608 8.2286 113.4833 56.4880 38.8664 177.2312 58 A 4.1323 7.9485 122.0819 55.3370 18.4111 178.8790 59 V 4.1202 7.8432 118.4207 64.6883 31.4940 177.0981 60 N 4.5957 8.4798 115.4648 54.5722 38.5744 175.7443 61 N 4.9634 8.1014 114.2144 54.0416 43.0001 174.9933 62 H 4.7680 7.9164 113.1509 55.1104 31.0908 172.5694 63 D 4.4592 8.3807 115.9084 54.2912 37.9491 173.3313 64 M 5.1003 7.7000 117.8689 54.7822 32.8883 175.4202 65 L 4.5845 8.1542 121.8245 53.3543 43.2042 177.6693 66 E 3.9337 8.8166 123.7044 59.3676 29.7403 177.1073 67 D 4.8099 8.0124 116.0289 54.3881 41.1203 176.9035 68 R 4.6213 8.0960 113.3538 55.8002 31.1264 174.1582 69 L 5.4594 7.7956 119.3865 55.1152 43.9399 174.8862 70 Y 4.8924 8.7596 116.4238 56.5495 41.8218 174.0293 71 V 4.3514 8.0714 118.2696 61.2157 30.3009 176.5449 72 K 3.3521 7.5491 126.9275 58.8974 32.7062 175.4645 73 A 4.4886 7.5108 118.2789 51.7285 23.1723 174.9158 74 A 4.7571 8.1053 118.4217 51.7849 21.9404 175.4845 75 Y 4.7269 7.7644 115.5139 56.5147 41.4910 173.0591 76 V 4.8143 8.7102 120.8650 60.3824 34.0068 174.5872 77 D 5.1021 8.2738 122.0520 52.4215 44.5617 175.0461 78 E 4.2208 8.7964 123.3181 55.7911 29.9999 176.4487 79 G 3.7530 7.8283 116.5528 44.4376 0.0000 169.7921 80 P 4.6115 0.0000 0.0000 63.0174 32.4483 174.7131 81 A 4.6623 8.0848 119.8219 50.2235 21.9550 176.5053 82 L 4.2884 8.5969 122.9751 53.6476 41.7750 175.8775 83 K 4.5923 8.3886 123.3618 56.3069 32.7705 176.7296 84 R 4.7603 9.2454 122.9921 54.3358 34.7238 175.7002 85 V 4.4796 8.2489 114.6686 61.3805 33.2393 175.4485 86 L 4.1407 7.8410 119.1192 53.9572 45.2216 172.0605 87 P 4.6003 0.0000 0.0000 63.1446 31.9096 175.9544 88 R 4.7647 8.6774 124.4309 53.6431 33.8186 174.8347 89 A 4.1440 8.5206 124.6948 53.8372 18.7750 178.1995 90 R 3.8263 9.6085 117.9306 56.9987 27.7135 177.5637 91 G 3.9595 8.0947 105.0937 44.9652 0.0000 174.5052 92 R 4.0229 7.7185 119.7141 56.3379 31.2556 175.7722 93 A 4.9609 8.6167 125.2751 50.3640 18.9214 174.3237 94 D 4.8631 8.4116 120.7387 53.6495 42.8272 176.1532 95 I 4.4252 8.3506 117.3720 60.6687 38.9087 174.9172 96 I 4.3609 9.3643 127.1369 59.3410 40.5320 174.2132 97 K 4.6348 8.4638 129.3982 54.5421 32.8405 174.7944 98 K 4.2900 8.6259 125.2623 55.3619 31.6526 176.8345 99 R 4.4383 8.2155 124.8801 56.0092 32.1022 174.6605 100 T 5.0447 8.0911 113.1938 60.7938 71.3530 172.2496 101 S 4.8733 8.7318 120.0142 56.4848 66.8098 173.9687 102 H 5.3716 8.1981 114.9097 54.6770 29.0326 174.2195 103 I 3.7563 7.7465 120.3409 62.1068 38.7525 176.9140 104 T 4.6347 8.7020 123.7038 61.5005 71.3562 173.2742 105 V 4.5600 8.3799 125.2308 60.9189 34.8632 173.9027 106 I 4.8212 8.3990 121.6697 59.2934 40.0530 175.7851 107 L 5.0988 7.9130 127.8847 54.2365 44.4279 175.6476 108 G 4.1921 7.9117 103.1875 45.9774 0.0000 173.1113 109 E 4.3777 8.0120 121.5059 57.6149 30.5759 175.9480 110 K 3.8465 8.9626 126.6683 57.8059 31.6951 177.7364 111 H 4.7229 8.8647 117.3775 54.9052 30.6421 174.3638 112 G 3.6656 8.6307 107.1947 46.4831 0.0000 172.7320 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 8.15 4.66 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.64 0.00 2 E 8.45 4.95 0.00 2.11 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 2.17 2.35 0.00 3 A 9.10 4.50 1.13 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 0.00 0.00 4 K 8.50 4.78 0.00 1.62 1.72 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.40 7.81 5 A 7.92 4.21 1.17 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 6 I 8.55 4.75 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.63 0.91 0.00 0.00 7 A 8.64 4.67 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 8 R 8.35 4.23 0.00 1.88 2.25 0.00 3.41 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.63 0.00 9 Y 8.56 3.37 0.00 3.09 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 10 V 7.39 3.95 1.99 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 0.58 0.00 0.00 1.10 0.00 0.00 11 R 8.77 4.33 0.00 1.73 1.87 0.00 3.48 0.00 0.00 3.14 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 12 I 7.19 3.92 1.40 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.41 0.56 0.00 0.00 13 S 8.00 4.21 0.00 3.86 3.68 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 14 P 0.00 4.18 0.00 2.17 2.06 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.26 0.00 15 R 8.10 4.00 0.00 1.84 2.01 0.00 3.12 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 16 K 7.85 3.87 0.00 1.95 1.87 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.52 7.81 17 V 7.68 3.86 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 0.85 0.00 0.00 1.02 0.00 0.00 18 R 8.41 3.93 0.00 1.96 2.02 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 19 L 7.22 3.97 0.00 1.77 1.76 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.78 3.75 2.26 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 1.07 0.00 0.00 0.98 0.00 0.00 21 V 8.05 3.57 2.25 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 1.00 0.00 0.00 0.95 0.00 0.00 22 D 8.19 4.51 0.00 2.81 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 23 L 7.68 4.22 0.00 1.93 1.75 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.73 4.40 1.88 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 1.58 0.73 0.92 0.00 0.00 25 R 7.59 3.95 0.00 1.81 1.93 0.00 3.32 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 26 G 8.92 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 0.00 0.00 0.00 27 K 7.76 4.66 0.00 2.12 1.75 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.43 7.81 28 S 8.13 4.53 0.00 3.99 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 29 L 8.13 3.93 0.00 1.97 1.68 0.92 0.88 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 30 E 8.17 3.92 0.00 2.09 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 2.40 2.38 0.00 31 E 8.20 3.92 0.00 2.10 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 0.00 2.41 2.41 0.00 32 A 8.28 4.01 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.14 3.86 0.00 2.07 2.00 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 34 N 8.03 4.44 0.00 2.91 2.97 0.00 0.00 7.09 8.41 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 35 I 7.48 3.77 2.06 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 1.56 1.21 0.94 0.00 0.00 36 L 7.72 4.02 0.00 1.75 1.71 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.49 3.84 0.00 1.74 1.97 0.00 2.83 0.00 0.00 2.91 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.50 0.00 38 Y 7.24 4.70 0.00 2.96 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 T 7.29 4.11 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 40 N 8.54 4.72 0.00 2.74 2.77 0.00 0.00 6.99 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 41 K 7.58 4.56 0.00 1.82 1.68 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.37 7.81 42 R 8.73 4.14 0.00 1.95 2.01 0.00 3.26 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.86 0.00 43 G 8.32 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 44 A 7.67 4.04 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.81 3.87 0.00 2.89 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 46 F 8.28 4.14 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 47 V 7.91 3.65 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 1.09 0.00 0.00 1.00 0.00 0.00 48 A 8.36 3.88 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 49 K 7.68 3.64 0.00 1.26 1.52 0.00 1.43 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.31 1.30 7.81 50 V 7.34 3.56 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 0.77 0.00 0.00 0.89 0.00 0.00 51 L 7.89 3.86 0.00 1.68 1.94 0.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.36 4.01 0.00 2.24 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 2.25 2.32 0.00 53 S 7.98 4.09 0.00 3.92 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 54 A 8.13 3.92 1.32 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 0.00 0.00 55 A 7.76 3.89 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 56 A 7.94 3.94 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 57 N 8.23 4.26 0.00 2.69 2.93 0.00 0.00 7.08 8.06 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 58 A 7.95 4.13 1.42 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 0.00 0.00 59 V 7.84 4.12 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 1.18 0.00 0.00 1.08 0.00 0.00 60 N 8.48 4.60 0.00 2.80 2.84 0.00 0.00 6.98 8.78 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 61 N 8.10 4.96 0.00 2.88 2.65 0.00 0.00 6.68 7.83 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 62 H 7.92 4.77 0.00 3.25 3.24 0.00 6.05 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.38 4.46 0.00 2.91 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 64 M 7.70 5.10 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.61 0.00 65 L 8.15 4.58 0.00 1.71 1.58 0.92 0.82 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 66 E 8.82 3.93 0.00 1.93 1.99 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 2.30 2.34 0.00 67 D 8.01 4.81 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 68 R 8.10 4.62 0.00 1.86 2.06 0.00 2.73 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 69 L 7.80 5.46 0.00 1.91 1.92 0.98 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.76 4.89 0.00 3.26 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 71 V 8.07 4.35 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 0.86 0.00 0.00 0.95 0.00 0.00 72 K 7.55 3.35 0.00 1.46 1.75 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.49 7.81 73 A 7.51 4.49 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 74 A 8.11 4.76 1.15 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 0.00 0.00 0.00 0.00 0.00 75 Y 7.76 4.73 0.00 2.97 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 76 V 8.71 4.81 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 0.78 0.00 0.00 0.97 0.00 0.00 77 D 8.27 5.10 0.00 2.68 2.65 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 78 E 8.80 4.22 0.00 1.95 1.85 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 2.21 2.25 0.00 79 G 7.83 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 0.00 0.00 0.00 80 P 0.00 4.61 0.00 2.02 2.15 0.00 3.24 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 81 A 8.08 4.66 1.15 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 0.00 0.00 0.00 0.00 0.00 82 L 8.60 4.29 0.00 1.81 1.64 0.89 0.65 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 83 K 8.39 4.59 0.00 1.63 1.74 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.61 7.81 84 R 9.25 4.76 0.00 1.61 1.76 0.00 3.28 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 85 V 8.25 4.48 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 0.64 0.00 0.00 0.93 0.00 0.00 86 L 7.84 4.14 0.00 1.85 1.74 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.60 0.00 1.97 2.00 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 88 R 8.68 4.76 0.00 1.99 1.77 0.00 3.15 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 89 A 8.52 4.14 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 90 R 9.61 3.83 0.00 1.97 2.03 0.00 3.22 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 91 G 8.09 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 92 R 7.72 4.02 0.00 1.73 1.87 0.00 3.07 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 93 A 8.62 4.96 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 94 D 8.41 4.86 0.00 2.66 2.59 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 95 I 8.35 4.43 1.86 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 1.22 0.52 0.91 0.00 0.00 96 I 9.36 4.36 1.86 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 1.10 0.77 0.90 0.00 0.00 97 K 8.46 4.63 0.00 1.75 1.66 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.40 7.81 98 K 8.63 4.29 0.00 1.71 1.73 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.41 7.81 99 R 8.22 4.44 0.00 1.71 1.81 0.00 3.03 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 100 T 8.09 5.04 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 0.99 0.00 0.00 101 S 8.73 4.87 0.00 3.67 3.68 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 0.00 102 H 8.20 5.37 0.00 3.14 3.15 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.75 3.76 1.87 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 1.37 0.51 0.87 0.00 0.00 104 T 8.70 4.63 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 0.89 0.00 0.00 105 V 8.38 4.56 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 0.93 0.00 0.00 0.85 0.00 0.00 106 I 8.40 4.82 1.82 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 0.87 0.88 0.00 0.00 107 L 7.91 5.10 0.00 1.62 1.62 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.91 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 0.00 0.00 0.00 109 E 8.01 4.38 0.00 1.98 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 2.37 2.44 0.00 110 K 8.96 3.85 0.00 1.91 1.51 0.00 1.02 0.00 0.00 1.23 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.41 1.50 7.81 111 H 8.86 4.72 0.00 3.21 3.05 0.00 5.62 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 0.00 112 G 8.63 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 0.00 0.00 0.00