NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 S 4.4954 8.3344 115.5538 57.6069 64.7836 172.7721 20 L 4.3162 8.3763 123.1540 53.7228 42.3210 174.6366 21 S 4.7912 9.6784 121.0883 56.9480 67.3087 172.2965 22 I 4.9329 8.2305 121.6954 59.9768 39.3582 175.3393 23 T 3.9726 8.7077 123.4908 64.1432 69.1940 174.4882 24 T 3.2611 8.6466 124.1634 63.5294 64.8595 170.5148 25 P 4.5348 0.0000 0.0000 64.2489 32.6952 176.6427 26 E 5.4243 7.5839 119.9809 55.9453 33.0836 173.7329 27 E 4.9247 8.7662 124.3786 55.0975 34.9279 173.7371 28 M 5.3080 8.6118 119.4649 53.7280 35.3512 175.2957 29 I 4.4913 8.3178 123.6701 59.5336 40.1363 174.3682 30 E 4.9238 8.8179 127.0029 55.4257 30.5273 175.8269 31 K 4.8063 9.1610 122.4894 54.7859 37.5233 175.1628 32 A 4.7939 8.5316 123.6042 49.7246 21.3535 176.4616 33 K 4.2111 8.3608 121.4649 58.0006 32.6271 177.5996 34 G 3.9466 9.1799 114.7236 45.2826 0.0000 173.1949 35 E 4.5761 7.7819 119.2976 55.6791 31.7943 175.0272 36 T 4.9875 8.2767 110.8240 60.0963 70.7970 173.6377 37 A 4.4246 8.6981 128.2034 50.8766 20.6818 175.3597 38 Y 4.8741 8.5162 124.5611 55.9974 39.6749 175.2519 39 L 4.3581 8.4418 129.7940 52.4555 42.3541 174.3114 40 P 4.3883 0.0000 0.0000 62.7461 32.6904 177.7377 41 C 5.0051 9.2533 121.5646 55.9483 45.5413 170.9482 42 K 5.1281 8.3157 122.1528 54.4419 33.8876 175.2683 43 F 5.5032 8.3724 119.5594 55.3618 41.0580 174.3111 44 T 4.6749 8.9103 116.9963 61.9566 70.9921 173.3422 45 L 4.7938 8.5409 125.4979 53.5716 43.6268 176.1614 46 S 4.5988 9.1882 117.9487 56.6005 63.7683 173.3408 47 P 4.3284 0.0000 0.0000 65.5053 31.2534 177.9133 48 E 4.1110 8.0534 114.5955 58.5181 29.8148 177.5184 49 D 4.8742 7.6215 120.1271 54.1726 38.5717 175.6054 50 Q 4.4181 8.1305 119.8191 55.4520 30.2476 176.2742 51 G 3.9088 7.9702 107.8632 43.6646 0.0000 171.5531 52 P 4.3516 0.0000 0.0000 62.0756 31.8068 176.0251 53 L 4.1975 8.3918 124.1116 55.5484 42.9174 176.1149 54 D 4.7401 9.0961 125.9979 53.1882 43.6041 173.2543 55 I 5.2266 9.0439 126.7259 59.3043 40.8941 174.6115 56 E 5.3485 9.2007 122.8526 54.8841 33.4998 173.8221 57 W 5.2444 9.1848 121.2653 55.1156 32.1444 174.9094 58 L 5.2834 9.3371 122.9026 52.8823 45.7952 175.1325 59 I 4.2173 8.3952 120.6653 59.3800 41.1221 174.5386 60 S 5.0161 8.8492 126.8251 55.9255 63.2157 170.9294 61 P 4.7730 0.0000 0.0000 62.4440 31.3770 176.8945 62 A 4.1027 8.7563 125.2082 54.9763 18.4520 178.7466 63 D 4.4366 8.4312 115.9215 56.8039 41.1327 175.4436 64 N 5.1488 7.5845 113.1880 51.1773 40.5056 173.6417 65 Q 4.1642 8.6318 116.0843 58.2923 29.1375 177.3498 66 K 4.2510 7.5286 115.9987 56.5564 33.2641 176.4497 67 V 4.4110 7.6003 119.0249 60.4942 34.9640 174.3526 68 D 4.2387 7.9442 118.0420 55.5407 38.7152 174.5372 69 Q 4.5456 7.9713 117.7425 54.1533 30.8621 177.6541 70 V 4.0455 8.5149 117.9386 62.2960 31.5632 175.9432 71 I 4.5469 8.4567 117.1684 62.0506 39.9402 175.4017 72 I 4.9178 7.5114 119.9131 59.9878 41.4468 172.9910 73 L 5.5434 9.3554 127.5687 53.7660 46.3472 174.3676 74 Y 5.4645 9.6429 126.1748 56.1584 41.8446 174.1037 75 S 4.6247 8.8878 120.3352 57.2751 67.0775 174.2822 76 G 4.1587 9.0241 107.9832 47.1589 0.0000 172.9751 77 D 4.6208 7.8193 113.8629 53.3747 39.0332 173.7189 78 K 4.4952 7.1410 116.8145 54.4825 35.4397 174.5624 79 I 5.0824 7.9789 124.5355 59.7203 39.4072 174.7447 80 Y 4.8372 9.1987 122.4870 56.4821 40.4258 175.7008 81 D 5.0604 8.7289 121.0995 53.0060 41.4125 175.5198 82 D 4.6770 7.5089 120.1160 54.4428 40.4929 175.0253 83 Y 4.5416 7.8686 118.0094 59.4466 40.7329 176.2663 84 Y 4.5544 7.9244 124.5867 54.9475 38.6772 173.4433 85 P 4.2485 0.0000 0.0000 65.9886 31.3245 178.5695 86 D 4.2938 7.6160 117.2909 56.7989 40.9939 176.8654 87 L 4.5496 8.1195 117.1675 54.1615 41.6945 175.8242 88 K 3.8606 7.6110 120.7228 58.2545 32.0273 177.0151 89 G 3.9717 9.0358 113.5530 45.9829 0.0000 173.3603 90 R 4.6677 8.1923 117.1590 54.6912 32.1961 175.4151 91 V 5.1090 7.8134 118.9831 60.4801 33.9680 174.1916 92 H 4.7882 7.8823 120.1540 54.2878 31.5602 172.7998 93 F 4.8269 8.7370 119.9617 58.1494 38.8541 175.7095 94 T 4.2304 8.9011 113.7250 63.9638 69.4001 175.6929 95 S 4.3438 7.9937 116.0959 57.7904 62.9606 173.4645 96 N 4.6064 8.6356 123.4800 54.4061 38.2813 174.8901 97 D 4.7271 7.9977 118.7310 52.2092 41.1778 175.1885 98 L 4.2112 7.9987 124.8197 56.5802 42.7881 178.9811 99 K 4.2105 7.8247 116.5201 59.4482 32.6652 178.1307 100 S 4.1629 7.3458 113.8886 60.1261 62.9695 173.0200 101 G 2.0000 5.9944 112.0615 44.2751 0.0000 172.7985 102 D 4.6159 7.5246 120.9065 52.4948 42.3232 174.2658 103 A 4.8340 9.0727 129.0552 51.8437 20.0424 176.8548 104 S 4.9114 8.4646 115.5843 60.2130 64.2732 173.6180 105 I 4.9487 8.0657 115.4913 59.1790 41.4010 173.5637 106 N 5.1730 8.5763 120.3549 51.7131 41.0460 174.4706 107 V 4.5321 8.4112 124.5862 61.3093 32.0199 175.1070 108 T 4.2824 8.6375 118.3371 60.4360 70.4719 173.6744 109 N 4.1711 8.4750 118.5878 54.1820 37.4186 174.4545 110 L 4.2075 8.4255 119.3351 55.5355 43.0693 177.4676 111 Q 4.9741 9.5182 121.1926 53.5907 31.9020 176.8145 112 L 4.0932 8.3327 118.5074 57.8798 41.7093 179.4321 113 S 4.8620 7.8615 110.1684 59.1029 63.3213 174.4368 114 D 4.6837 7.8712 120.0702 55.6059 41.2238 176.6314 115 I 4.0111 7.7393 122.2543 61.0368 38.1809 176.1677 116 G 4.0964 8.0098 112.4960 46.9892 0.0000 170.5164 117 T 5.1092 7.7481 116.6284 62.4063 70.4448 173.9340 118 Y 5.0320 9.6061 124.9646 56.4378 40.3197 174.3463 119 Q 4.9545 9.0990 126.5453 54.4737 31.6207 173.1492 120 C 4.0091 8.8256 127.0831 54.5398 45.9202 172.1618 121 K 4.8077 8.7930 126.5696 54.5779 34.3343 175.2287 122 V 4.3447 8.5861 125.9269 60.8711 33.8017 174.4544 123 K 4.9072 8.8661 127.1366 54.7338 35.8022 175.7158 124 K 4.9681 8.9515 125.2966 54.5312 34.1950 173.8678 125 A 4.4392 8.6130 127.3192 51.6606 19.1141 176.1521 126 P 4.4308 0.0000 0.0000 63.4183 32.1694 177.0512 127 G 3.6917 8.1458 110.3696 45.8671 0.0000 172.8728 128 V 4.8425 8.0273 122.2325 61.2501 34.6450 173.7786 129 A 4.8780 9.2267 128.9019 50.4866 22.8794 174.3899 130 N 5.4347 8.5321 116.4650 51.2423 41.4199 173.5009 131 K 4.7068 8.7518 119.8918 54.7960 36.0152 174.7363 132 K 5.0248 8.5075 126.7623 54.7724 34.7918 175.2389 133 I 4.8395 8.8981 125.3679 59.8288 40.5635 174.4238 134 H 5.0593 8.8775 125.2698 54.8639 29.8731 174.0539 135 L 4.8282 9.1152 127.6115 53.8001 43.5302 175.3090 136 V 4.7109 8.5775 126.3881 60.9609 34.4000 175.7525 137 V 4.5534 8.2883 125.3028 62.1991 31.6398 174.9019 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 19 S 8.33 4.50 0.00 3.89 3.95 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 20 L 8.38 4.32 0.00 1.97 1.61 0.98 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.68 4.79 0.00 3.84 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 22 I 8.23 4.93 1.86 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.63 0.97 0.00 0.00 23 T 8.71 3.97 4.26 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 1.23 0.00 0.00 24 T 8.65 3.26 4.35 0.00 0.00 0.00 0.00 0.00 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 25 P 0.00 4.53 0.00 2.10 2.28 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 26 E 7.58 5.42 0.00 2.08 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 0.00 2.31 2.15 0.00 27 E 8.77 4.92 0.00 1.91 1.78 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 0.00 2.30 2.33 0.00 28 M 8.61 5.31 0.00 1.88 1.98 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 2.55 2.78 0.00 29 I 8.32 4.49 1.83 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 1.20 0.57 0.88 0.00 0.00 30 E 8.82 4.92 0.00 1.85 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 0.00 2.28 2.34 0.00 31 K 9.16 4.81 0.00 1.58 1.62 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.48 7.81 32 A 8.53 4.79 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 33 K 8.36 4.21 0.00 1.73 1.74 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.57 7.81 34 G 9.18 3.95 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 0.00 0.00 0.00 35 E 7.78 4.58 0.00 2.05 1.87 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 2.29 2.34 0.00 36 T 8.28 4.99 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 37 A 8.70 4.42 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.52 4.87 0.00 2.86 2.90 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 39 L 8.44 4.36 0.00 0.86 1.33 0.11 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.39 0.00 2.03 1.77 0.00 3.70 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.87 0.00 41 C 9.25 5.01 0.00 3.20 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 42 K 8.32 5.13 0.00 1.73 1.66 0.00 1.65 0.00 0.00 1.96 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.40 7.81 43 F 8.37 5.50 0.00 3.02 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 44 T 8.91 4.67 4.28 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 1.22 0.00 0.00 45 L 8.54 4.79 0.00 1.60 1.65 1.05 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 46 S 9.19 4.60 0.00 3.80 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 47 P 0.00 4.33 0.00 2.08 2.11 0.00 3.74 0.00 0.00 3.72 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 48 E 8.05 4.11 0.00 2.07 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 0.00 2.28 2.33 0.00 49 D 7.62 4.87 0.00 2.88 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 50 Q 8.13 4.42 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 51 G 7.97 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 0.00 0.00 0.00 52 P 0.00 4.35 0.00 2.19 2.07 0.00 3.77 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 1.98 1.95 0.00 53 L 8.39 4.20 0.00 1.73 1.76 0.65 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 54 D 9.10 4.74 0.00 2.95 2.56 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 0.00 55 I 9.04 5.23 2.05 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.65 1.03 0.00 0.00 56 E 9.20 5.35 0.00 2.01 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 2.13 2.24 0.00 57 W 9.18 5.24 0.00 3.27 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 58 L 9.34 5.28 0.00 1.45 1.43 0.90 0.48 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 59 I 8.40 4.22 1.19 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.99 0.06 0.00 0.00 60 S 8.85 5.02 0.00 3.69 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 61 P 0.00 4.77 0.00 2.14 2.14 0.00 3.90 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 62 A 8.76 4.10 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 63 D 8.43 4.44 0.00 2.83 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 64 N 7.58 5.15 0.00 2.75 2.79 0.00 0.00 6.06 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 65 Q 8.63 4.16 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 66 K 7.53 4.25 0.00 2.02 1.83 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.46 7.81 67 V 7.60 4.41 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 0.78 0.00 0.00 0.91 0.00 0.00 68 D 7.94 4.24 0.00 2.72 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 69 Q 7.97 4.55 0.00 1.90 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 70 V 8.51 4.05 1.63 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 0.49 0.00 0.00 0.67 0.00 0.00 71 I 8.46 4.55 1.87 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 1.32 0.68 0.63 0.00 0.00 72 I 7.51 4.92 1.79 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.35 0.62 0.00 0.00 73 L 9.36 5.54 0.00 2.16 1.88 0.88 0.74 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 74 Y 9.64 5.46 0.00 3.09 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 75 S 8.89 4.62 0.00 3.93 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 76 G 9.02 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.82 4.62 0.00 2.77 2.77 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 78 K 7.14 4.50 0.00 1.79 1.35 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.86 1.21 7.81 79 I 7.98 5.08 1.98 0.00 0.00 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 1.94 1.04 1.26 0.00 0.00 80 Y 9.20 4.84 0.00 3.34 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 81 D 8.73 5.06 0.00 2.75 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 0.00 0.00 0.00 0.00 82 D 7.51 4.68 0.00 2.53 2.41 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 83 Y 7.87 4.54 0.00 3.18 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.92 4.55 0.00 3.22 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 85 P 0.00 4.25 0.00 2.13 2.25 0.00 3.52 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 1.82 1.91 0.00 86 D 7.62 4.29 0.00 2.54 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 87 L 8.12 4.55 0.00 1.99 1.77 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 88 K 7.61 3.86 0.00 1.76 1.82 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.47 7.81 89 G 9.04 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 0.00 0.00 0.00 90 R 8.19 4.67 0.00 1.90 2.06 0.00 3.29 0.00 0.00 3.21 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 91 V 7.81 5.11 2.04 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 0.83 0.00 0.00 0.91 0.00 0.00 92 H 7.88 4.79 0.00 3.21 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 93 F 8.74 4.83 0.00 3.06 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 94 T 8.90 4.23 4.36 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 1.38 0.00 0.00 95 S 7.99 4.34 0.00 4.05 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 96 N 8.64 4.61 0.00 2.88 2.93 0.00 0.00 5.80 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 97 D 8.00 4.73 0.00 2.70 2.49 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 0.00 98 L 8.00 4.21 0.00 1.34 1.07 -0.49 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.82 4.21 0.00 2.00 2.04 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.48 7.81 100 S 7.35 4.16 0.00 3.99 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 0.00 101 G 5.99 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 0.00 0.00 0.00 0.00 0.00 0.00 102 D 7.52 4.62 0.00 2.60 2.45 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 0.00 103 A 9.07 4.83 1.56 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 0.00 0.00 0.00 104 S 8.46 4.91 0.00 3.94 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 0.00 105 I 8.07 4.95 1.33 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.38 0.13 0.00 0.00 106 N 8.58 5.17 0.00 2.33 2.60 0.00 0.00 6.83 7.88 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 0.00 107 V 8.41 4.53 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 1.01 0.00 0.00 0.63 0.00 0.00 108 T 8.64 4.28 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 1.23 0.00 0.00 109 N 8.48 4.17 0.00 2.80 2.83 0.00 0.00 7.02 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 0.00 110 L 8.43 4.21 0.00 1.72 1.59 0.92 0.90 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 0.00 111 Q 9.52 4.97 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 112 L 8.33 4.09 0.00 1.73 1.74 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 113 S 7.86 4.86 0.00 4.03 4.01 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 0.00 114 D 7.87 4.68 0.00 2.91 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 0.00 115 I 7.74 4.01 1.92 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 1.27 1.09 0.96 0.00 0.00 116 G 8.01 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 0.00 117 T 7.75 5.11 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 1.24 0.00 0.00 118 Y 9.61 5.03 0.00 2.93 3.20 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 0.00 119 Q 9.10 4.95 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.13 2.32 0.00 120 C 8.83 4.01 0.00 1.23 2.18 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 0.00 121 K 8.79 4.81 0.00 1.66 1.56 0.00 1.60 0.00 0.00 1.49 0.00 0.00 2.71 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.24 1.23 7.81 122 V 8.59 4.34 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 0.17 0.00 0.00 0.59 0.00 0.00 123 K 8.87 4.91 0.00 1.75 1.58 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.74 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.26 7.81 124 K 8.95 4.97 0.00 1.69 1.60 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.54 7.81 125 A 8.61 4.44 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 0.00 126 P 0.00 4.43 0.00 2.18 2.17 0.00 3.88 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 127 G 8.15 3.69 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 0.00 0.00 0.00 128 V 8.03 4.84 2.04 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 0.73 0.00 0.00 0.89 0.00 0.00 129 A 9.23 4.88 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 0.00 130 N 8.53 5.43 0.00 2.63 2.63 0.00 0.00 5.76 7.13 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 0.00 131 K 8.75 4.71 0.00 1.71 1.44 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.29 1.45 7.81 132 K 8.51 5.02 0.00 1.64 1.61 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.35 7.81 133 I 8.90 4.84 2.02 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 1.27 1.02 0.92 0.00 0.00 134 H 8.88 5.06 0.00 3.15 3.30 0.00 5.60 0.00 0.00 0.00 0.00 6.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 9.12 4.83 0.00 1.65 1.86 0.85 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.58 4.71 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 0.97 0.00 0.00 137 V 8.29 4.55 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 1.20 0.00 0.00 0.95 0.00 0.00