NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.6259 8.1476 120.6138 55.5671 34.3698 173.3005 3 I 4.9047 8.1850 113.2358 58.6980 40.2987 173.6194 4 R 4.7246 9.2803 123.5245 54.4999 35.0570 175.9107 5 G 4.2517 8.7414 109.2190 45.8168 0.0000 172.9346 6 I 4.8506 8.8085 122.8390 59.2424 41.0293 174.7392 7 R 5.5389 8.3328 124.5311 53.7821 33.4012 175.0517 8 G 4.2497 8.2783 107.8266 45.1000 0.0000 170.9065 9 A 5.2474 8.5027 120.9739 51.1301 23.2610 175.2758 10 T 5.1266 8.7419 114.3087 61.3760 71.8168 172.1532 11 T 5.1493 8.2722 112.4112 59.9799 71.5760 173.7704 12 V 4.2987 8.5776 117.5246 60.0949 33.2931 176.1050 13 E 4.1070 9.0141 124.1809 58.5784 29.9295 177.3023 14 R 4.6111 7.4720 114.9256 54.1182 33.6894 175.4267 15 D 4.5706 8.5070 121.4909 54.1060 39.6940 175.1750 16 T 4.6398 7.7908 117.5212 58.6107 72.0008 172.7079 17 E 3.8368 8.8756 128.0226 59.7155 29.4326 178.7481 18 E 3.8700 8.3028 118.4791 59.5226 29.4149 178.4531 19 E 3.9461 7.9028 118.2139 59.4827 29.9744 178.0584 20 I 3.6550 7.9278 119.9799 64.7458 37.1445 178.3337 21 L 4.0406 8.0430 119.3788 57.9322 41.3965 179.6150 22 Q 3.9134 7.8576 119.5928 59.1435 29.0027 178.4371 23 K 4.0355 8.3137 119.7323 59.4005 32.0173 179.6985 24 T 3.7840 8.4681 116.4594 66.5741 68.4832 176.7853 25 K 3.8056 8.1960 121.7219 59.4142 32.1141 178.7434 26 Q 3.9079 7.8192 118.0619 58.9057 28.7129 178.5221 27 L 3.8717 7.7720 121.1636 58.2215 42.0219 178.9895 28 L 3.8534 7.9660 118.9137 57.8109 41.4160 179.4009 29 E 3.8121 8.1727 118.5702 59.1861 29.3831 179.2948 30 K 3.9893 8.0639 119.5986 59.0189 32.1914 179.1904 31 I 3.7006 7.6966 120.5017 64.2248 36.9802 178.2042 32 I 3.7332 7.8762 120.9611 64.4811 36.7418 177.6215 33 E 3.8639 8.1598 118.8271 59.6673 29.4454 178.5592 34 E 4.1347 8.0862 117.1263 59.4815 29.8541 178.6686 35 N 4.5941 8.1188 112.7271 52.7226 39.9952 174.4062 36 H 3.9397 8.3110 116.8392 56.9493 26.2509 175.8373 37 T 4.3550 7.7559 115.1080 62.5913 69.4271 175.3137 38 K 4.3591 8.6549 127.0554 54.5175 32.7182 176.3095 39 P 2.9700 0.0000 0.0000 64.5824 30.9359 177.1280 40 E 4.3531 7.7407 115.1008 56.3222 30.0243 176.1603 41 D 4.4146 8.2846 119.9896 54.9725 41.3811 176.1361 42 V 4.5083 6.9184 119.0592 61.1797 30.8684 175.2117 43 V 3.8906 8.1808 128.4987 64.8382 31.6188 175.6413 44 Q 4.7528 7.4805 115.3571 56.2698 31.3367 171.4782 45 M 5.2857 8.6767 118.2462 53.9139 36.2380 173.5446 46 L 5.3552 9.1639 124.5183 52.9798 45.6632 175.4930 47 L 5.4742 9.0571 122.3093 52.9816 45.9963 175.7007 48 S 5.8090 9.5741 116.3965 55.4336 66.6417 172.5959 49 A 5.2967 8.3711 122.9003 50.0747 22.2178 175.9022 50 T 4.1833 8.7254 111.9804 60.6437 70.0551 173.8274 51 P 4.3691 0.0000 0.0000 64.5941 31.2840 176.8064 52 D 4.4938 7.9098 118.9605 55.2082 40.1325 176.0905 53 L 4.4632 7.6645 120.6423 54.3847 41.8924 176.1259 54 H 4.6827 8.8535 118.4234 55.1197 30.7225 174.9888 55 A 4.0999 8.4062 123.1546 54.2770 18.4350 177.9784 56 V 4.3669 7.0459 112.8614 59.5383 34.5996 174.8554 57 F 4.2485 8.6495 120.8078 57.0013 38.9941 174.4704 58 P 4.2193 0.0000 0.0000 65.4577 31.0380 178.0734 59 A 3.9929 8.3149 119.2838 55.4526 18.1744 179.1790 60 K 3.8369 8.5917 117.8694 59.7531 32.1141 178.6453 61 A 4.0853 8.2084 120.5328 54.4823 18.2085 179.6222 62 V 3.5179 7.9100 117.1908 65.7899 31.2903 178.1258 63 R 3.9472 7.6425 117.0545 59.4234 30.0210 178.3438 64 E 4.1584 7.7808 115.8818 56.9224 30.0652 176.8108 65 L 4.4066 7.2784 120.6882 53.1233 42.7491 176.2159 66 S 4.5006 8.6065 120.5483 59.7759 63.5213 173.2220 67 G 4.1505 9.2063 113.2831 45.9758 0.0000 174.7405 68 W 4.3570 8.5051 117.3321 56.8894 28.8322 177.8599 69 Q 3.8414 7.7362 121.6247 58.6089 28.3379 176.7241 70 Y 4.5927 7.4359 112.2555 57.4115 38.9557 175.7749 71 V 3.7245 7.4900 121.6155 61.9361 32.1378 173.5200 72 P 4.5991 0.0000 0.0000 62.8321 32.5066 175.5593 73 V 5.0158 8.3383 116.3072 59.9443 35.2662 174.6129 74 T 4.7135 8.7389 117.4996 60.9477 71.3467 171.9868 75 C 5.6418 8.5769 121.9076 58.4761 31.8766 172.8899 76 M 4.9020 8.9510 116.8500 54.1794 34.9640 173.2433 77 Q 4.8342 8.4499 120.9981 54.2346 30.3230 174.9296 78 E 4.3129 8.4213 128.2978 56.3922 30.5247 176.2483 79 M 4.2557 8.4271 120.5562 54.5992 32.4204 176.1582 80 D 4.5268 8.3875 120.3173 53.2847 40.4803 175.0673 81 V 4.2479 7.8236 125.9362 60.6218 33.2113 175.1090 82 T 3.9902 8.3975 123.7416 66.1543 68.3026 174.2718 83 G 3.9580 9.0359 115.1213 44.8797 0.0000 173.3351 84 G 3.7383 7.9041 108.6485 44.9497 0.0000 173.4206 85 L 4.1464 8.2307 122.8353 54.3788 42.7521 176.8570 86 K 4.3240 8.4800 125.1146 56.2451 33.8295 176.1278 87 K 4.0098 8.9595 117.5185 57.1903 30.1410 174.5089 88 C 5.3334 7.8939 117.6282 57.6982 35.1028 173.0005 89 I 5.1198 8.8112 124.8385 59.6924 40.7293 174.7218 90 R 5.3375 9.3698 124.3270 54.4291 34.7646 174.6009 91 V 4.8886 8.6335 120.2703 60.2297 35.4164 174.3660 92 M 4.6165 9.2969 122.8711 54.1784 34.2729 173.2934 93 M 4.7827 9.3085 127.1598 54.2109 34.2633 174.5637 94 T 4.9678 8.7897 124.2655 62.5948 70.2700 174.6061 95 V 4.9823 8.9268 119.5671 59.2416 36.1181 174.7470 96 Q 4.5519 9.0163 125.4115 56.6169 29.4468 174.9626 97 T 4.3836 8.4223 119.4501 62.2403 70.8123 172.3380 98 D 4.8709 8.7334 122.0124 53.7225 42.8503 177.1011 99 V 3.7154 7.3867 120.1604 61.9025 32.2339 174.0574 100 P 4.4226 0.0000 0.0000 62.2896 32.2878 176.9414 101 Q 3.9249 8.9721 123.5454 59.4982 28.9180 179.3136 102 D 4.5391 8.1068 114.4633 55.3928 39.5700 176.5770 103 Q 4.4064 8.1552 117.9311 55.9995 29.5791 176.1392 104 I 3.7704 7.4182 119.3874 61.2475 37.5842 175.5371 105 R 4.4874 8.7130 123.7804 54.8093 31.4177 175.2680 106 H 4.9206 8.6178 120.2753 54.4016 30.6436 174.6893 107 V 4.4173 7.9215 121.3979 61.3137 34.2034 174.0440 108 Y 5.0372 8.4967 123.7224 56.4682 41.2635 174.4303 109 L 4.8269 9.0653 123.8569 51.6814 46.1620 180.1554 110 E 3.5502 8.8274 120.7472 57.8415 29.0396 179.2119 111 K 4.2853 8.9750 129.8681 58.8467 31.8707 177.3891 112 A 4.2600 8.1986 121.1351 53.6166 18.1154 179.2469 113 V 3.6890 7.3196 109.7428 63.3998 31.7363 177.6469 114 V 4.0653 7.2308 117.4830 62.2815 32.0105 177.2756 115 L 3.9664 7.8143 120.1488 57.5774 41.5227 177.7093 116 R 4.1282 6.6914 118.3980 54.6415 31.6826 173.1486 117 P 4.3738 0.0000 0.0000 62.5349 31.4221 176.7289 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 2 M 8.15 4.63 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 3 I 8.18 4.90 1.88 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 1.35 0.97 0.91 0.00 0.00 4 R 9.28 4.72 0.00 1.72 1.81 0.00 3.31 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 5 G 8.74 4.25 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 6 I 8.81 4.85 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 1.24 0.84 0.89 0.00 0.00 7 R 8.33 5.54 0.00 1.72 1.78 0.00 3.64 0.00 0.00 3.32 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.40 0.00 8 G 8.28 4.25 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 9 A 8.50 5.25 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 10 T 8.74 5.13 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 1.23 0.00 0.00 11 T 8.27 5.15 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 1.23 0.00 0.00 12 V 8.58 4.30 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 0.63 0.00 0.00 0.97 0.00 0.00 13 E 9.01 4.11 0.00 1.95 2.20 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 2.28 2.38 0.00 14 R 7.47 4.61 0.00 1.77 1.75 0.00 3.25 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 15 D 8.51 4.57 0.00 2.60 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 16 T 7.79 4.64 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 1.20 0.00 0.00 17 E 8.88 3.84 0.00 2.05 1.96 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 2.38 2.40 0.00 18 E 8.30 3.87 0.00 2.02 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 2.38 2.33 0.00 19 E 7.90 3.95 0.00 2.11 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 2.66 2.44 0.00 20 I 7.93 3.66 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.58 0.90 0.00 0.00 21 L 8.04 4.04 0.00 1.76 1.71 0.96 1.07 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 22 Q 7.86 3.91 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 23 K 8.31 4.04 0.00 1.91 1.82 0.00 1.84 0.00 0.00 1.63 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.61 7.81 24 T 8.47 3.78 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 1.19 0.00 0.00 25 K 8.20 3.81 0.00 1.74 1.96 0.00 1.57 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.49 7.81 26 Q 7.82 3.91 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 27 L 7.77 3.87 0.00 1.71 1.77 0.82 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.97 3.85 0.00 1.64 1.34 0.75 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.17 3.81 0.00 2.10 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 2.20 2.38 0.00 30 K 8.06 3.99 0.00 1.84 1.74 0.00 1.49 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.50 7.81 31 I 7.70 3.70 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.65 0.89 0.00 0.00 32 I 7.88 3.73 1.93 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.59 1.06 0.00 0.00 33 E 8.16 3.86 0.00 2.06 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 2.31 2.35 0.00 34 E 8.09 4.13 0.00 1.99 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 2.62 2.49 0.00 35 N 8.12 4.59 0.00 2.85 2.89 0.00 0.00 7.40 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 36 H 8.31 3.94 0.00 3.28 3.41 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.76 4.36 4.57 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 0.00 0.00 0.00 1.44 0.00 0.00 38 K 8.65 4.36 0.00 1.95 1.82 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.37 7.81 39 P 0.00 2.97 0.00 1.44 0.49 0.00 3.52 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.50 0.00 40 E 7.74 4.35 0.00 2.01 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 2.13 2.19 0.00 41 D 8.28 4.41 0.00 2.75 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 42 V 6.92 4.51 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 0.93 0.00 0.00 0.84 0.00 0.00 43 V 8.18 3.89 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 0.82 0.00 0.00 0.97 0.00 0.00 44 Q 7.48 4.75 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.65 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 45 M 8.68 5.29 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 46 L 9.16 5.36 0.00 1.58 1.51 0.94 0.39 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 47 L 9.06 5.47 0.00 1.60 1.51 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 48 S 9.57 5.81 0.00 3.83 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 49 A 8.37 5.30 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 50 T 8.73 4.18 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 1.25 0.00 0.00 51 P 0.00 4.37 0.00 2.21 2.23 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 52 D 7.91 4.49 0.00 2.92 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 53 L 7.66 4.46 0.00 1.59 1.57 0.94 0.75 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 54 H 8.85 4.68 0.00 3.07 3.22 0.00 5.66 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 55 A 8.41 4.10 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 56 V 7.05 4.37 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 1.02 0.00 0.00 57 F 8.65 4.25 0.00 3.14 2.99 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 58 P 0.00 4.22 0.00 2.18 2.12 0.00 3.76 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 59 A 8.31 3.99 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 60 K 8.59 3.84 0.00 1.95 1.94 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.50 7.81 61 A 8.21 4.09 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 62 V 7.91 3.52 2.21 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 1.17 0.00 0.00 0.93 0.00 0.00 63 R 7.64 3.95 0.00 2.04 1.99 0.00 3.22 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 64 E 7.78 4.16 0.00 1.94 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 2.39 0.00 65 L 7.28 4.41 0.00 1.51 1.30 0.18 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.61 4.50 0.00 3.93 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 67 G 9.21 4.15 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 0.00 68 W 8.51 4.36 0.00 3.70 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 69 Q 7.74 3.84 0.00 1.80 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 6.39 0.00 0.00 0.00 0.00 0.00 1.58 2.04 0.00 70 Y 7.44 4.59 0.00 2.98 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 71 V 7.49 3.72 2.37 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 0.93 0.00 0.00 0.80 0.00 0.00 72 P 0.00 4.60 0.00 2.17 2.19 0.00 3.72 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.01 0.00 73 V 8.34 5.02 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 0.78 0.00 0.00 0.94 0.00 0.00 74 T 8.74 4.71 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 1.21 0.00 0.00 75 C 8.58 5.64 0.00 2.99 2.97 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 76 M 8.95 4.90 0.00 2.05 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 2.60 2.50 0.00 77 Q 8.45 4.83 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 7.07 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 78 E 8.42 4.31 0.00 1.97 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 2.33 2.32 0.00 79 M 8.43 4.26 0.00 2.17 2.05 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 2.56 2.53 0.00 80 D 8.39 4.53 0.00 2.66 2.66 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 0.00 0.00 0.00 0.00 81 V 7.82 4.25 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 1.04 0.00 0.00 0.93 0.00 0.00 82 T 8.40 3.99 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 1.21 0.00 0.00 83 G 9.04 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 84 G 7.90 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 0.00 0.00 0.00 85 L 8.23 4.15 0.00 1.61 1.60 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.48 4.32 0.00 1.78 1.84 0.00 1.97 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.39 7.81 87 K 8.96 4.01 0.00 1.94 1.93 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.31 7.81 88 C 7.89 5.33 0.00 3.02 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 89 I 8.81 5.12 1.86 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 1.22 0.89 0.94 0.00 0.00 90 R 9.37 5.34 0.00 1.66 1.76 0.00 3.09 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 91 V 8.63 4.89 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 0.63 0.00 0.00 0.97 0.00 0.00 92 M 9.30 4.62 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 93 M 9.31 4.78 0.00 2.12 1.96 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 2.67 2.62 0.00 94 T 8.79 4.97 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 95 V 8.93 4.98 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 0.81 0.00 0.00 1.01 0.00 0.00 96 Q 9.02 4.55 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 97 T 8.42 4.38 4.25 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 1.28 0.00 0.00 98 D 8.73 4.87 0.00 2.66 2.64 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 99 V 7.39 3.72 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 0.76 0.00 0.00 0.93 0.00 0.00 100 P 0.00 4.42 0.00 2.22 1.96 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 101 Q 8.97 3.92 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 102 D 8.11 4.54 0.00 2.84 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 0.00 103 Q 8.16 4.41 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 104 I 7.42 3.77 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.75 0.82 0.00 0.00 105 R 8.71 4.49 0.00 1.88 1.84 0.00 3.16 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 106 H 8.62 4.92 0.00 3.18 3.35 0.00 5.85 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.92 4.42 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 1.01 0.00 0.00 0.87 0.00 0.00 108 Y 8.50 5.04 0.00 2.88 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 0.00 109 L 9.07 4.83 0.00 1.53 1.54 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.83 3.55 0.00 2.10 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 2.32 2.39 0.00 111 K 8.98 4.29 0.00 1.81 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 112 A 8.20 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.32 3.69 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 1.02 0.00 0.00 114 V 7.23 4.07 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 0.85 0.00 0.00 0.91 0.00 0.00 115 L 7.81 3.97 0.00 1.53 1.63 1.05 0.82 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 0.00 116 R 6.69 4.13 0.00 0.67 1.45 0.00 3.24 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.47 0.00 117 P 0.00 4.37 0.00 1.99 1.92 0.00 3.60 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00