NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3446 0.0000 0.0000 62.3615 32.5482 175.1189 3 R 4.1832 8.5129 124.0162 54.1283 31.2973 174.4216 4 A 4.5014 8.1045 129.2236 49.9599 19.1006 175.5906 5 K 4.1458 8.2990 120.0344 57.4368 33.6639 178.1728 6 T 3.9137 8.5338 119.6961 66.6292 69.2251 175.0844 7 G 3.8279 7.8867 108.5609 46.6574 0.0000 175.2088 8 V 3.7811 8.2989 112.0615 63.9170 31.7801 177.1608 9 V 3.2322 7.9255 115.7202 66.7669 31.2145 177.2116 10 R 3.6872 7.8534 116.7133 59.5880 30.2191 178.6551 11 R 3.7440 7.8474 117.5833 59.5382 30.0226 178.4841 12 R 3.8633 7.8704 117.5353 59.3431 29.9563 178.9753 13 K 3.9860 8.0062 118.1809 60.0580 32.0301 179.0904 14 H 4.6058 8.2217 116.1712 58.7199 28.4994 177.3913 15 K 3.8672 8.2877 120.7049 59.8414 32.1898 178.1534 16 K 4.0410 8.6680 119.9930 59.3464 32.1528 178.4137 17 I 3.6642 7.7089 119.7931 64.8190 37.2384 178.2150 18 L 3.9984 8.1191 119.2884 57.8749 41.4396 179.6647 19 K 3.9429 7.9857 119.3783 59.4165 31.9608 178.8356 20 L 4.0519 7.7772 117.7141 56.6041 41.9142 178.1243 21 A 3.8669 7.6043 119.5183 50.0660 19.4341 176.5951 22 K 3.6819 6.9535 117.0643 58.4102 32.4782 177.1515 23 G 3.8705 8.9572 111.1072 45.4346 0.0000 172.6796 24 Y 4.9848 7.1501 116.4673 56.1922 39.6633 175.0325 25 W 4.3453 8.8534 131.1947 58.2234 32.5450 176.9189 26 G 3.8858 8.0533 112.8583 46.3752 0.0000 174.8251 27 L 4.0748 8.6329 118.1103 57.7024 41.9697 179.2125 28 R 3.6697 8.2297 117.8816 58.1692 30.1286 177.8203 29 S 4.8145 8.2394 109.7662 57.4717 64.5400 174.7812 30 K 4.3303 8.0421 118.1091 56.0793 33.6949 175.7643 31 S 4.5559 8.3431 115.1936 57.0118 62.3783 175.6375 32 F 3.6399 7.8637 128.3906 60.2069 40.6886 177.2262 33 R 3.6401 8.1603 116.9875 59.3862 29.9704 179.1143 34 K 3.8988 7.9105 117.2934 59.4006 31.8932 179.3143 35 A 4.4508 7.9790 122.5788 54.3683 18.4395 179.4959 36 R 3.2852 7.9619 117.5025 59.3821 30.1133 178.6439 37 E 4.0098 7.7558 117.9430 59.8047 29.4797 179.2586 38 T 3.7963 7.4459 115.7532 66.8518 68.3700 176.5779 39 L 4.0469 7.9454 120.8148 57.4506 41.4390 179.3809 40 F 4.4599 7.8452 117.7543 60.7622 38.9182 177.6169 41 A 3.7858 8.0367 119.6102 54.7959 18.1383 179.2229 42 A 4.1830 8.2760 119.6112 55.5010 18.4612 179.6951 43 G 3.8948 8.4219 104.2611 48.5223 0.0000 175.5067 44 N 4.4135 7.9222 119.3903 55.8513 38.3080 177.0574 45 Y 4.2800 8.1797 117.4361 61.7944 38.2567 178.0446 46 A 4.0131 8.8045 121.7734 54.8436 18.1998 178.7857 47 Y 3.9820 8.5028 115.5886 60.8345 39.3666 179.1988 48 A 4.1379 8.9269 121.7646 55.4178 18.3692 179.0396 49 H 4.4510 8.8957 114.8471 58.4647 28.8375 178.0321 50 R 3.9698 7.6022 119.3147 58.8294 29.7539 178.8095 51 K 4.1063 7.8019 118.0941 59.1975 32.1217 179.2404 52 R 3.7749 7.6259 116.5195 58.7324 30.1048 178.4449 53 R 3.8619 8.2987 120.0832 58.8973 30.0866 178.0043 54 K 3.8979 8.0859 116.8800 60.3686 31.8978 178.9725 55 R 3.9525 7.8182 117.6652 59.2235 29.5539 178.6440 56 D 4.3239 8.1625 118.2950 56.8305 41.2967 178.3408 57 F 3.5635 7.5534 117.7731 60.2024 38.8371 177.1949 58 R 4.0635 7.3983 118.2367 59.6782 29.7546 178.4253 59 R 3.7841 7.1967 117.8929 59.1872 30.0303 178.6208 60 L 3.7620 7.0530 118.5231 58.0648 42.0492 178.7025 61 W 4.6216 7.5638 118.7731 60.2182 28.9400 178.5700 62 I 3.3061 8.0304 119.4446 64.3424 36.4868 178.6081 63 V 3.4497 7.5833 118.8993 66.5974 31.2412 177.0878 64 R 3.8583 8.8170 118.2066 59.4431 29.7033 177.9966 65 I 3.7432 8.5085 118.9223 64.9712 37.5372 177.3777 66 N 4.3394 8.9144 117.6430 57.1856 38.4254 176.1133 67 A 4.0146 8.2953 121.3337 55.6874 18.8375 178.8641 68 A 4.0106 8.3272 119.2870 55.8723 18.4270 179.1408 69 C 4.5356 9.3513 111.2199 60.0567 29.7718 175.9701 70 R 4.3426 8.0459 122.5329 58.9388 29.7204 177.8163 71 Q 4.0764 7.9735 118.9327 59.3391 29.0948 177.5190 72 H 4.4072 8.2934 117.0544 57.0466 29.1236 177.0544 73 G 5.0758 7.0927 118.2517 46.0214 0.0000 171.2603 74 L 4.8894 7.1004 119.5314 52.9486 43.8087 175.6080 75 N 4.7062 8.6136 116.1697 52.9351 40.3926 176.0302 76 Y 4.2564 8.4511 122.4215 60.9809 38.7933 178.1233 77 S 3.9405 8.2734 115.1794 61.5696 63.1764 176.0979 78 T 3.8834 7.9792 113.6347 64.1599 68.2199 175.6349 79 F 4.2535 8.5317 123.4634 61.2510 39.2355 177.2320 80 I 3.4528 7.4299 118.3820 64.8358 37.0561 177.2242 81 H 4.2873 8.7697 119.8592 59.0991 29.4823 177.2188 82 G 3.9433 8.4054 107.3818 47.8147 0.0000 174.9648 83 L 4.1619 7.8742 121.8892 57.5381 42.0415 178.9980 84 K 3.9480 8.4528 120.2733 59.3032 32.1047 178.7366 85 K 4.0864 7.9293 115.2344 57.9512 32.1552 177.2848 86 A 4.2802 7.4577 120.0087 51.7279 20.0393 176.9853 87 G 3.7182 8.0620 103.0825 47.1039 0.0000 175.2641 88 I 4.3909 7.1483 112.0964 57.8813 37.2390 176.1072 89 E 4.1227 8.4260 126.5598 58.7112 31.7629 178.5527 90 V 3.3420 8.4831 114.2466 65.2704 30.1103 180.7478 91 D 3.4921 9.1763 115.1035 53.6226 44.5117 170.1254 92 R 3.8546 7.6692 134.1976 56.0368 29.5285 177.4366 93 K 4.1257 8.4634 125.3295 59.5593 31.8150 177.2145 94 N 2.0000 6.7808 116.1851 55.7615 39.2361 175.0837 95 L 3.9295 7.2499 115.6161 56.1119 41.7799 178.2970 96 A 4.6828 7.8757 121.0213 52.0211 17.8175 179.2714 97 D 4.5461 8.0483 121.8355 58.1655 42.4417 179.3891 98 L 4.4730 7.2235 123.0122 53.2807 39.5686 178.6772 99 A 3.3323 8.8814 119.2516 52.2958 16.9175 177.0717 100 V 4.2616 7.8919 114.7863 62.8801 34.7824 173.5924 101 R 3.8030 8.7454 120.4588 56.8297 28.5063 176.4204 102 E 4.7574 7.8154 114.8816 54.3597 31.9361 175.5359 103 P 4.5294 0.0000 0.0000 65.0040 30.9151 177.3382 104 Q 3.9781 7.9000 117.7192 59.2920 29.0723 178.3032 105 V 3.7766 7.7839 112.7838 64.3694 31.8450 177.9365 106 F 4.1360 8.0426 120.3518 61.7366 38.9977 176.9207 107 A 4.1269 7.9864 119.5742 55.5710 17.9736 179.5525 108 E 3.8864 8.8305 117.0923 59.3871 29.6511 179.1197 109 L 4.0168 7.8032 116.2337 56.7478 41.8340 178.8531 110 V 3.0298 7.0534 118.1832 64.9437 31.7285 177.1779 111 E 3.8151 7.6595 118.0779 59.7411 29.4440 179.5842 112 R 3.8122 8.1347 117.4828 60.2356 29.9317 178.0055 113 A 4.3336 7.7544 119.8288 53.9971 18.3870 178.8438 114 K 3.8814 8.6465 116.2983 58.4745 32.7594 178.7714 115 A 4.0423 8.0325 122.4757 54.4790 19.0373 179.3015 116 A 4.2818 7.6998 116.7947 52.7173 18.0298 177.1907 117 Q 4.3250 8.0274 117.8835 58.9716 30.9686 175.7352 118 G 3.8249 7.5378 109.6912 45.8908 0.0000 172.9185 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 P 0.00 4.34 0.00 2.05 2.07 0.00 3.62 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 1.92 2.07 0.00 3 R 8.51 4.18 0.00 1.83 1.81 0.00 3.21 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 4 A 8.10 4.50 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 5 K 8.30 4.15 0.00 1.86 1.82 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.45 7.81 6 T 8.53 3.91 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 1.16 0.00 0.00 7 G 7.89 3.83 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 0.00 0.00 0.00 8 V 8.30 3.78 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 0.74 0.00 0.00 0.91 0.00 0.00 9 V 7.93 3.23 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 1.01 0.00 0.00 0.95 0.00 0.00 10 R 7.85 3.69 0.00 1.80 1.77 0.00 3.11 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.51 0.00 11 R 7.85 3.74 0.00 1.84 2.03 0.00 3.22 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 12 R 7.87 3.86 0.00 2.05 1.95 0.00 3.19 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 1.86 0.00 13 K 8.01 3.99 0.00 1.91 1.95 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.50 7.81 14 H 8.22 4.61 0.00 3.26 3.34 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.29 3.87 0.00 1.82 2.01 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.53 7.81 16 K 8.67 4.04 0.00 1.85 2.01 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.51 7.81 17 I 7.71 3.66 2.10 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 1.86 0.72 0.67 0.00 0.00 18 L 8.12 4.00 0.00 1.90 1.76 1.08 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.99 3.94 0.00 1.84 1.99 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.46 7.81 20 L 7.78 4.05 0.00 1.86 1.71 0.93 0.90 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 21 A 7.60 3.87 1.43 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 0.00 0.00 0.00 22 K 6.95 3.68 0.00 1.65 1.70 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.51 7.81 23 G 8.96 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 0.00 0.00 0.00 24 Y 7.15 4.98 0.00 3.11 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 25 W 8.85 4.35 0.00 3.52 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 26 G 8.05 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 0.00 0.00 0.00 27 L 8.63 4.07 0.00 1.75 1.80 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.23 3.67 0.00 2.32 2.06 0.00 3.09 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 29 S 8.24 4.81 0.00 4.03 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 30 K 8.04 4.33 0.00 1.76 1.89 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.52 7.81 31 S 8.34 4.56 0.00 3.78 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 32 F 7.86 3.64 0.00 3.08 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 33 R 8.16 3.64 0.00 1.93 2.00 0.00 3.31 0.00 0.00 3.45 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.92 0.00 34 K 7.91 3.90 0.00 2.04 1.89 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.65 7.81 35 A 7.98 4.45 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 36 R 7.96 3.29 0.00 0.92 1.50 0.00 2.90 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.93 0.00 37 E 7.76 4.01 0.00 2.08 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 2.29 2.57 0.00 38 T 7.45 3.80 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 0.53 0.00 0.00 39 L 7.95 4.05 0.00 1.59 1.64 0.91 1.38 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 40 F 7.85 4.46 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 41 A 8.04 3.79 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.28 4.18 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.42 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 0.00 0.00 0.00 44 N 7.92 4.41 0.00 2.59 2.76 0.00 0.00 7.10 7.33 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 45 Y 8.18 4.28 0.00 3.17 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 46 A 8.80 4.01 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.50 3.98 0.00 3.17 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 48 A 8.93 4.14 1.55 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 0.00 0.00 49 H 8.90 4.45 0.00 3.41 3.34 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.60 3.97 0.00 1.75 1.91 0.00 3.13 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 51 K 7.80 4.11 0.00 1.85 1.79 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.18 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.33 1.28 7.81 52 R 7.63 3.77 0.00 2.01 1.89 0.00 3.22 0.00 0.00 3.07 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 53 R 8.30 3.86 0.00 2.02 2.01 0.00 3.29 0.00 0.00 3.22 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.74 0.00 54 K 8.09 3.90 0.00 1.86 1.91 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.62 7.81 55 R 7.82 3.95 0.00 1.84 1.97 0.00 3.11 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 56 D 8.16 4.32 0.00 2.81 2.17 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 57 F 7.55 3.56 0.00 2.70 1.45 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 58 R 7.40 4.06 0.00 2.02 1.95 0.00 3.16 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.99 0.00 59 R 7.20 3.78 0.00 2.13 1.84 0.00 3.07 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 60 L 7.05 3.76 0.00 1.57 1.48 0.87 1.12 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 61 W 7.56 4.62 0.00 3.72 3.26 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 0.00 62 I 8.03 3.31 1.86 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 1.07 -0.29 0.50 0.00 0.00 63 V 7.58 3.45 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 1.06 0.00 0.00 0.90 0.00 0.00 64 R 8.82 3.86 0.00 2.26 1.97 0.00 3.26 0.00 0.00 3.25 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 65 I 8.51 3.74 2.14 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.46 1.34 0.00 0.00 66 N 8.91 4.34 0.00 2.99 3.02 0.00 0.00 7.16 6.49 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 67 A 8.30 4.01 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 68 A 8.33 4.01 1.06 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 0.00 0.00 0.00 0.00 0.00 0.00 69 C 9.35 4.54 0.00 3.10 3.79 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 70 R 8.05 4.34 0.00 2.05 2.09 0.00 3.36 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.63 0.00 71 Q 7.97 4.08 0.00 2.16 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 72 H 8.29 4.41 0.00 3.10 3.33 0.00 5.90 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.09 5.08 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 0.00 0.00 0.00 74 L 7.10 4.89 0.00 1.85 1.76 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.61 4.71 0.00 2.92 2.87 0.00 0.00 7.09 6.90 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 76 Y 8.45 4.26 0.00 3.34 3.15 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 77 S 8.27 3.94 0.00 4.10 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 78 T 7.98 3.88 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 1.24 0.00 0.00 79 F 8.53 4.25 0.00 3.12 3.10 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 80 I 7.43 3.45 1.63 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 0.34 -0.33 0.75 0.00 0.00 81 H 8.77 4.29 0.00 3.17 3.40 0.00 5.80 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 82 G 8.41 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 0.00 0.00 0.00 83 L 7.87 4.16 0.00 2.17 1.79 1.22 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.45 3.95 0.00 1.91 1.94 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.47 7.81 85 K 7.93 4.09 0.00 1.78 1.83 0.00 1.28 0.00 0.00 1.46 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.37 7.81 86 A 7.46 4.28 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 87 G 8.06 3.72 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 0.00 0.00 0.00 88 I 7.15 4.39 1.87 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 1.43 0.91 0.91 0.00 0.00 89 E 8.43 4.12 0.00 1.96 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 0.00 2.31 2.31 0.00 90 V 8.48 3.34 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 0.91 0.00 0.00 0.90 0.00 0.00 91 D 9.18 3.49 0.00 2.81 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 92 R 7.67 3.85 0.00 2.16 1.76 0.00 3.12 0.00 0.00 3.05 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.38 0.00 93 K 8.46 4.13 0.00 1.94 2.14 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.76 7.81 94 N 6.78 2.00 0.00 1.44 2.08 0.00 0.00 6.99 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 95 L 7.25 3.93 0.00 1.75 1.60 0.84 0.69 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 96 A 7.88 4.68 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 97 D 8.05 4.55 0.00 2.58 2.74 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 98 L 7.22 4.47 0.00 2.26 1.60 1.25 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.88 3.33 0.41 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 0.00 0.00 100 V 7.89 4.26 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 0.89 0.00 0.00 0.89 0.00 0.00 101 R 8.75 3.80 0.00 2.07 2.04 0.00 3.12 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 102 E 7.82 4.76 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 2.19 2.34 0.00 103 P 0.00 4.53 0.00 2.33 2.32 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 104 Q 7.90 3.98 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 7.10 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 105 V 7.78 3.78 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 0.91 0.00 0.00 1.12 0.00 0.00 106 F 8.04 4.14 0.00 3.13 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 4.13 1.49 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 0.00 0.00 108 E 8.83 3.89 0.00 2.10 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 2.30 2.34 0.00 109 L 7.80 4.02 0.00 1.65 1.82 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.05 3.03 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 0.79 0.00 0.00 -0.21 0.00 0.00 111 E 7.66 3.82 0.00 1.87 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 2.25 2.45 0.00 112 R 8.13 3.81 0.00 1.76 2.00 0.00 3.25 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 113 A 7.75 4.33 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 114 K 8.65 3.88 0.00 1.92 2.00 0.00 1.17 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.40 7.81 115 A 8.03 4.04 1.35 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 0.00 0.00 0.00 116 A 7.70 4.28 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.03 4.33 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.21 2.43 0.00 118 G 7.54 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00