NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.5193 8.1633 120.6138 55.4221 34.3972 172.7983 3 I 4.9043 8.3291 117.8455 59.4122 40.0537 173.9375 4 R 4.7242 9.3600 125.6712 54.2804 34.8483 174.6149 5 G 4.2760 8.7147 108.8842 45.8088 0.0000 172.9866 6 I 4.9294 8.8269 122.6291 59.3090 41.0176 174.8823 7 R 5.1070 8.7483 123.9286 54.7430 33.5641 175.0324 8 G 4.7524 8.3540 106.9427 44.7969 0.0000 171.4828 9 A 5.1887 7.8235 120.6912 51.0879 22.9857 174.9789 10 T 5.1504 8.5568 113.9022 61.5194 71.6199 172.1823 11 T 5.2271 8.3552 113.2442 59.9636 71.8551 173.4102 12 V 4.4991 8.4043 115.5950 59.9021 34.2098 175.7953 13 E 4.3017 8.9505 121.2096 57.9596 30.0438 177.4260 14 R 4.6892 7.9894 115.6155 54.3590 34.2698 175.4417 15 D 4.6676 8.4542 121.3911 53.3600 39.7338 175.7216 16 T 4.7196 7.3701 112.6012 58.4757 73.6391 174.3000 17 E 3.8744 8.6667 123.0472 59.5670 29.6779 178.7243 18 E 3.9167 8.1723 118.6538 59.4144 29.5978 178.5958 19 E 3.9005 7.7681 116.8710 59.4508 29.5077 179.2052 20 I 3.6694 7.6929 119.7066 64.6174 37.1577 178.5412 21 L 3.9574 7.9833 119.5722 57.6451 41.3043 179.4663 22 Q 3.8953 8.0627 119.5125 59.2820 29.0990 178.5237 23 K 3.9718 8.2264 119.6511 59.6708 31.9931 179.6430 24 T 3.8804 8.2093 116.4611 66.1827 68.2687 176.8145 25 K 3.7950 8.2179 121.7633 59.6200 32.2783 178.6403 26 Q 3.9251 8.2171 118.6012 58.9500 28.5739 178.9451 27 L 3.8422 7.8489 120.9121 58.2886 42.1224 178.9781 28 L 3.8403 7.9163 118.8782 57.8462 41.4876 179.4717 29 E 3.8212 8.2944 118.7244 59.0832 29.3468 179.3907 30 K 3.9022 8.0209 119.6934 59.4350 32.3004 178.6892 31 I 3.6436 7.8002 120.2840 64.6423 37.0808 178.3536 32 I 3.7253 7.8766 120.4009 64.3228 36.7387 178.0327 33 E 3.9318 7.9651 118.6309 59.5938 29.5877 178.5691 34 E 4.0996 8.5106 117.3845 58.3829 29.5643 178.0225 35 N 4.6955 7.7772 113.3330 51.8940 39.6198 174.0700 36 H 4.1356 8.1088 116.3739 57.0059 26.9681 175.0965 37 T 4.2870 8.0804 114.8413 63.1325 69.5629 174.6482 38 K 4.6622 8.3036 124.7794 53.8682 34.5302 175.5080 39 P 2.9700 0.0000 0.0000 65.2833 31.2352 178.4350 40 E 3.9639 7.7994 114.0438 58.3327 29.9234 176.9573 41 D 4.5492 7.9770 118.7665 54.1407 41.3585 175.7572 42 V 4.2744 7.1798 120.7497 61.7666 32.2158 175.7509 43 V 3.8649 8.8093 128.8752 65.3945 31.8730 175.4748 44 Q 4.7625 7.5277 115.6077 56.0793 31.5683 171.7939 45 M 5.2965 8.7224 118.1381 53.9436 36.3502 173.5908 46 L 5.4155 8.8651 123.2118 52.9652 46.1249 175.4597 47 L 5.3953 8.7720 122.4217 52.9239 45.3986 175.7601 48 S 5.8992 9.5236 116.8220 55.8822 66.7432 172.6890 49 A 5.2084 8.1794 121.0264 50.4051 22.6450 175.9371 50 T 4.4461 8.2895 111.2522 60.6891 70.1833 173.7315 51 P 4.4452 0.0000 0.0000 64.2407 31.4295 176.4363 52 D 4.6276 7.9162 117.8949 53.4673 39.7010 175.7384 53 L 4.7321 7.4265 120.5462 53.8517 43.0941 175.7957 54 H 4.7338 9.1354 118.9875 54.8970 30.7240 174.8483 55 A 4.0929 8.4600 123.4020 54.9437 18.3634 178.0238 56 V 4.1704 6.8713 111.0350 60.6128 33.8453 172.6386 57 F 4.4409 8.2194 120.1913 56.7233 39.5154 175.0872 58 P 4.2862 0.0000 0.0000 65.6149 31.0695 178.4032 59 A 3.9630 8.3115 119.1533 55.1762 18.1465 179.3678 60 K 3.9728 8.2857 117.9208 59.4365 32.1832 178.7798 61 A 4.0633 8.4074 121.3062 54.5836 18.1998 179.6128 62 V 3.4273 7.6191 116.8583 66.0539 31.3175 178.1543 63 R 4.0554 7.7159 116.2316 58.2867 29.9359 177.6747 64 E 4.4378 7.9768 116.8145 55.4535 30.0985 175.8084 65 L 4.3723 7.4989 121.2303 52.6729 42.4616 176.1223 66 S 4.3514 8.6494 120.8228 60.8673 62.8438 174.8476 67 G 4.0870 9.2584 114.5186 45.1273 0.0000 173.3506 68 W 4.5051 8.4687 119.3068 56.4549 29.4296 177.9921 69 Q 3.9996 8.0140 118.2680 58.4192 27.9100 177.1345 70 Y 4.7287 7.5990 114.3133 57.5137 38.6722 175.5284 71 V 3.7778 7.8478 121.7239 61.8874 32.3361 173.3999 72 P 4.7157 0.0000 0.0000 62.3489 32.6953 175.3036 73 V 5.6323 8.2828 116.5484 58.7688 35.4305 174.7185 74 T 4.6101 8.2667 116.9044 60.9130 71.3247 172.4253 75 C 5.5917 8.4549 123.4719 58.3165 30.9659 172.2864 76 M 4.6252 8.0744 114.4890 54.7746 33.7418 173.2818 77 Q 4.8394 8.5828 121.7521 55.1446 30.1632 175.0175 78 E 4.3951 9.1723 128.3376 55.8076 30.6127 176.2870 79 M 4.1224 8.4797 122.1781 55.0572 32.0754 175.7945 80 D 4.5139 8.5304 121.4599 53.5302 41.0405 175.3153 81 V 4.3325 7.9439 126.6875 60.8880 33.4005 175.0132 82 T 4.0700 8.3452 123.9042 64.9868 68.5076 174.9567 83 G 3.9425 9.0445 115.1472 45.1233 0.0000 173.6339 84 G 3.7564 7.7521 108.6002 44.6111 0.0000 173.5556 85 L 4.0263 8.2706 122.9057 54.7658 42.5613 177.1213 86 K 4.3118 8.5102 125.2300 56.2182 33.6255 176.0160 87 K 3.8616 8.7609 117.3701 58.1475 30.1407 174.6004 88 C 5.2678 7.8255 118.0619 57.7267 34.4669 172.5945 89 I 4.7038 8.6004 127.2956 59.9853 38.8283 175.0115 90 R 5.1868 8.9666 125.6585 54.2494 33.9047 175.0284 91 V 4.8944 8.4497 120.4517 60.1801 35.4261 174.4637 92 M 4.8623 8.9510 121.8282 54.2580 34.7875 173.2371 93 M 4.8532 9.1367 127.5958 54.2760 34.4056 174.5558 94 T 4.9653 8.7835 123.5463 62.4471 70.5229 174.4410 95 V 4.9795 8.8806 119.0613 59.5102 36.5694 174.0952 96 Q 4.8178 8.6739 123.9690 55.4696 29.5986 174.6961 97 T 4.6032 8.5100 119.6374 61.5713 70.6091 172.6297 98 D 4.7317 8.7069 123.8196 53.8905 42.2381 176.5500 99 V 3.8259 7.4899 119.2068 62.3208 32.2646 174.0125 100 P 4.4533 0.0000 0.0000 62.3304 32.3681 176.7217 101 Q 3.9418 8.9199 121.3889 59.6253 28.8225 178.4736 102 D 4.7234 8.0491 113.5285 54.3362 39.8505 176.3546 103 Q 4.4730 8.2155 118.5147 55.7784 29.6138 175.8926 104 I 3.7138 7.2135 119.1265 61.2371 37.4580 176.2149 105 R 4.2892 8.5335 125.1219 55.2065 29.2508 175.4655 106 H 4.8351 8.3449 120.2585 55.0582 30.1251 175.0635 107 V 4.4754 8.3229 122.3415 61.2771 34.0840 173.7877 108 Y 4.9293 8.7506 124.5193 56.3037 40.7177 174.6967 109 L 4.8383 8.8465 123.8181 52.0636 46.0929 179.0186 110 E 3.6030 8.7844 119.9280 58.2177 28.2983 178.8723 111 K 4.1958 9.1613 127.7119 59.0788 31.8457 177.5387 112 A 4.3591 7.8579 120.2923 53.2426 18.0502 179.2804 113 V 3.6591 7.4780 111.7451 64.3524 31.7162 178.3608 114 V 3.7522 7.5652 116.6525 63.3783 31.2742 176.1806 115 L 4.1554 7.8354 124.9853 54.8617 41.6827 176.0848 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 8.16 4.52 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 3 I 8.33 4.90 1.87 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 1.34 0.41 0.98 0.00 0.00 4 R 9.36 4.72 0.00 1.70 1.78 0.00 3.13 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 5 G 8.71 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 0.00 0.00 0.00 0.00 6 I 8.83 4.93 1.91 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 1.27 0.83 0.96 0.00 0.00 7 R 8.75 5.11 0.00 1.57 1.64 0.00 3.42 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 8 G 8.35 4.75 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 9 A 7.82 5.19 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 10 T 8.56 5.15 4.20 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 1.18 0.00 0.00 11 T 8.36 5.23 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 1.29 0.00 0.00 12 V 8.40 4.50 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 0.75 0.00 0.00 0.98 0.00 0.00 13 E 8.95 4.30 0.00 2.11 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 2.41 0.00 14 R 7.99 4.69 0.00 1.82 1.75 0.00 3.15 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 15 D 8.45 4.67 0.00 2.61 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 16 T 7.37 4.72 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 8.67 3.87 0.00 2.03 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 2.37 2.37 0.00 18 E 8.17 3.92 0.00 2.06 1.93 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 2.37 2.40 0.00 19 E 7.77 3.90 0.00 2.09 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 2.32 2.34 0.00 20 I 7.69 3.67 1.86 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 1.50 0.74 0.91 0.00 0.00 21 L 7.98 3.96 0.00 1.68 1.70 0.98 0.81 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 22 Q 8.06 3.90 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 23 K 8.23 3.97 0.00 1.85 1.82 0.00 1.86 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.61 7.81 24 T 8.21 3.88 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 1.17 0.00 0.00 25 K 8.22 3.80 0.00 1.88 1.90 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.38 7.81 26 Q 8.22 3.93 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 27 L 7.85 3.84 0.00 1.71 1.78 0.87 0.53 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 28 L 7.92 3.84 0.00 1.49 1.38 0.71 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.29 3.82 0.00 2.15 1.93 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 2.20 2.34 0.00 30 K 8.02 3.90 0.00 2.00 1.76 0.00 1.52 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.50 7.81 31 I 7.80 3.64 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.52 0.91 0.00 0.00 32 I 7.88 3.73 1.96 0.00 0.00 0.38 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 0.83 1.10 0.00 0.00 33 E 7.97 3.93 0.00 2.05 2.23 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 2.32 2.36 0.00 34 E 8.51 4.10 0.00 1.90 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 2.45 2.50 0.00 35 N 7.78 4.70 0.00 2.80 2.81 0.00 0.00 7.31 8.53 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 36 H 8.11 4.14 0.00 3.30 3.38 0.00 5.84 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.08 4.29 4.48 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 1.35 0.00 0.00 38 K 8.30 4.66 0.00 1.89 1.75 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.38 7.81 39 P 0.00 2.97 0.00 1.78 1.13 0.00 3.45 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.21 0.00 40 E 7.80 3.96 0.00 1.99 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 2.20 2.21 0.00 41 D 7.98 4.55 0.00 2.70 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 42 V 7.18 4.27 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 0.86 0.00 0.00 0.75 0.00 0.00 43 V 8.81 3.86 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 0.81 0.00 0.00 0.92 0.00 0.00 44 Q 7.53 4.76 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.62 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 45 M 8.72 5.30 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 46 L 8.87 5.42 0.00 1.60 1.49 0.92 0.34 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 47 L 8.77 5.40 0.00 1.63 1.52 0.93 0.74 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 48 S 9.52 5.90 0.00 3.82 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 49 A 8.18 5.21 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 8.29 4.45 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 1.25 0.00 0.00 51 P 0.00 4.45 0.00 2.21 2.21 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 52 D 7.92 4.63 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 7.43 4.73 0.00 1.49 1.55 0.90 0.96 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 54 H 9.14 4.73 0.00 3.05 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 8.46 4.09 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 V 6.87 4.17 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 0.66 0.00 0.00 0.94 0.00 0.00 57 F 8.22 4.44 0.00 3.12 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 58 P 0.00 4.29 0.00 2.18 2.12 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 59 A 8.31 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 3.97 0.00 1.99 1.93 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.48 7.81 61 A 8.41 4.06 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 62 V 7.62 3.43 2.23 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 1.14 0.00 0.00 0.95 0.00 0.00 63 R 7.72 4.06 0.00 2.05 1.97 0.00 3.21 0.00 0.00 3.37 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 64 E 7.98 4.44 0.00 2.02 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 2.29 2.31 0.00 65 L 7.50 4.37 0.00 1.60 1.11 0.15 0.49 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 66 S 8.65 4.35 0.00 3.94 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 67 G 9.26 4.09 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 0.00 0.00 0.00 68 W 8.47 4.51 0.00 3.56 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 8.01 4.00 0.00 1.87 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 1.16 1.66 0.00 70 Y 7.60 4.73 0.00 2.93 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 71 V 7.85 3.78 2.29 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 0.88 0.00 0.00 0.63 0.00 0.00 72 P 0.00 4.72 0.00 2.16 2.18 0.00 3.70 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.00 0.00 73 V 8.28 5.63 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 0.83 0.00 0.00 0.93 0.00 0.00 74 T 8.27 4.61 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 1.19 0.00 0.00 75 C 8.45 5.59 0.00 2.91 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 76 M 8.07 4.63 0.00 2.05 2.12 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 2.53 2.70 0.00 77 Q 8.58 4.84 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 7.07 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 78 E 9.17 4.40 0.00 1.96 1.90 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 2.33 2.31 0.00 79 M 8.48 4.12 0.00 2.17 2.06 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 2.57 2.53 0.00 80 D 8.53 4.51 0.00 2.64 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 81 V 7.94 4.33 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 1.06 0.00 0.00 0.94 0.00 0.00 82 T 8.35 4.07 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 3.94 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 84 G 7.75 3.76 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 0.00 0.00 0.00 85 L 8.27 4.03 0.00 1.61 1.62 0.93 0.65 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 86 K 8.51 4.31 0.00 1.79 1.94 0.00 1.97 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.40 7.81 87 K 8.76 3.86 0.00 1.95 1.90 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.45 7.81 88 C 7.83 5.27 0.00 2.93 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 89 I 8.60 4.70 1.85 0.00 0.00 nan 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 0.50 0.90 0.00 0.00 90 R 8.97 5.19 0.00 1.71 1.75 0.00 3.18 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 91 V 8.45 4.89 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 0.77 0.00 0.00 0.92 0.00 0.00 92 M 8.95 4.86 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 93 M 9.14 4.85 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.62 0.00 94 T 8.78 4.97 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 1.22 0.00 0.00 95 V 8.88 4.98 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 0.77 0.00 0.00 1.01 0.00 0.00 96 Q 8.67 4.82 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 97 T 8.51 4.60 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 98 D 8.71 4.73 0.00 2.64 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 7.49 3.83 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 0.96 0.00 0.00 100 P 0.00 4.45 0.00 2.42 2.17 0.00 3.80 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 2.08 1.96 0.00 101 Q 8.92 3.94 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.06 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 102 D 8.05 4.72 0.00 2.82 2.78 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 0.00 0.00 0.00 103 Q 8.22 4.47 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 104 I 7.21 3.71 1.78 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 1.30 0.76 0.86 0.00 0.00 105 R 8.53 4.29 0.00 1.89 1.90 0.00 3.31 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 106 H 8.34 4.84 0.00 3.23 3.36 0.00 5.67 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 0.00 107 V 8.32 4.48 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 1.04 0.00 0.00 0.91 0.00 0.00 108 Y 8.75 4.93 0.00 2.85 3.06 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 0.00 109 L 8.85 4.84 0.00 1.53 1.53 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.78 3.60 0.00 2.16 1.30 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 2.30 2.25 0.00 111 K 9.16 4.20 0.00 1.83 1.86 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.46 7.81 112 A 7.86 4.36 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 0.00 113 V 7.48 3.66 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 0.96 0.00 0.00 0.99 0.00 0.00 114 V 7.57 3.75 2.14 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 0.79 0.00 0.00 0.92 0.00 0.00 115 L 7.84 4.16 0.00 1.52 1.56 1.07 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00