NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2164 8.3049 118.1934 53.5779 32.8013 174.6028 2 L 3.2434 8.0440 116.4678 54.4046 38.7288 172.7541 3 T 3.9872 8.5474 115.2442 63.8077 70.2113 174.5694 4 D 4.4263 7.6839 121.7401 50.9128 42.7243 172.9879 5 P 4.2967 0.0000 0.0000 66.4904 31.3275 177.9670 6 I 3.4796 8.1478 115.8987 64.9587 35.8845 177.9840 7 A 3.8822 8.9393 121.0492 55.5364 18.4589 179.1043 8 D 4.0264 8.2879 116.5413 57.4943 41.5149 177.8008 9 M 3.8704 7.9461 118.5919 59.0924 32.2365 178.5380 10 L 3.9489 7.3695 118.7185 57.7012 41.5444 179.8323 11 T 3.7737 8.6112 116.9745 66.6648 68.5968 176.9070 12 R 3.6336 8.0356 119.3812 59.6374 29.9817 179.0501 13 I 3.6691 7.5991 118.9039 64.3454 35.9698 178.4904 14 R 3.8163 7.7752 119.5215 59.3005 29.6257 178.1809 15 N 4.5074 8.7876 116.4957 55.2906 38.8685 177.0090 16 A 4.2087 7.8976 122.6068 55.0688 19.2250 179.4688 17 T 4.1917 7.7381 108.1981 65.0974 68.1556 176.1561 18 R 3.8515 7.1836 116.8718 57.7067 30.2573 177.9715 19 V 4.0458 7.7546 109.9868 59.6266 33.4437 175.2732 20 Y 3.8483 6.6094 114.8115 58.7861 35.2503 169.8324 21 K 4.4055 7.8070 119.0094 54.5521 34.1423 174.7500 22 E 4.1029 8.7096 128.0320 59.0951 29.8782 176.5887 23 S 5.4087 7.5185 110.2156 56.0150 66.2548 171.7846 24 T 4.3184 7.8029 112.3468 61.7953 70.2726 172.4756 25 D 5.7864 8.6436 127.0235 53.8564 43.7898 175.6461 26 V 4.6632 8.0508 120.5664 61.4240 33.1098 169.3293 27 P 4.0510 0.0000 0.0000 62.8993 31.7655 176.0461 28 A 4.2743 8.5761 125.6656 51.3910 20.0218 177.0578 29 S 4.6218 8.3358 110.4306 56.7056 65.3176 177.5231 30 R 3.9601 8.4625 128.4364 59.9926 29.6380 177.9163 31 F 4.2313 8.2047 119.6907 60.9750 39.5112 177.1349 32 K 3.7473 8.4343 118.6110 59.4093 31.2615 179.0282 33 E 3.4552 7.9833 118.1002 59.3496 29.2110 178.8029 34 E 4.0735 7.6550 117.1355 60.0111 29.8666 179.3896 35 I 3.5800 7.2062 118.7273 64.0644 37.0230 178.0538 36 L 3.8308 7.7592 119.3960 58.2199 41.4043 179.7858 37 R 4.0085 9.1418 117.9035 58.7652 28.4065 177.3102 38 I 4.2957 8.1434 118.0462 62.4976 38.4140 177.5334 39 L 4.5376 8.7111 120.6667 57.0650 41.3160 179.0931 40 A 4.2017 7.9543 120.5208 54.8922 18.7574 179.2305 41 R 4.1420 7.4252 111.8819 57.7569 30.0880 176.4740 42 E 4.4922 7.3284 112.9801 54.9464 31.9443 175.2433 43 G 3.7031 8.7679 107.3416 46.7997 0.0000 174.3685 44 F 4.6940 8.9392 117.6024 57.4534 40.0355 176.6329 45 I 4.9270 7.2972 112.4648 58.8201 40.4546 176.1673 46 K 4.1117 8.7733 121.2343 57.9130 32.3131 177.8348 47 G 4.2762 6.1257 102.6017 44.1702 0.0000 170.3103 48 Y 6.0115 7.6271 117.7534 55.0671 41.8663 174.2581 49 E 4.6330 8.7590 112.9464 55.2231 32.6192 174.6437 50 R 3.9811 9.2013 123.0682 57.5929 30.2511 175.7545 51 V 4.7422 7.9325 121.3841 60.7291 35.0579 174.6002 52 D 4.8386 8.5052 118.4352 54.6061 43.7180 176.9027 53 V 4.1782 8.4225 124.8764 62.6212 32.5390 173.6927 54 D 4.4022 8.9555 130.3356 55.2592 37.4098 176.2234 55 G 4.0927 8.6709 110.2092 45.7957 0.0000 174.5098 56 K 4.0095 8.1237 120.2402 55.3776 31.9949 174.4042 57 P 4.7964 0.0000 0.0000 63.1726 32.2095 175.1664 58 Y 4.8481 8.3145 124.0100 56.0672 41.9604 174.2250 59 L 4.9801 8.9110 119.2459 53.3739 45.5300 176.3324 60 R 4.3213 8.8158 125.6874 55.9147 31.7025 175.2668 61 V 4.1230 8.7792 126.9529 61.3188 33.6765 174.0723 62 Y 4.5694 8.6040 127.2514 56.9595 37.7753 175.2054 63 L 4.5252 8.8223 124.7020 54.5706 42.6410 176.5419 64 K 4.7766 8.5429 123.4070 55.4877 33.9313 174.7992 65 Y 4.9429 8.7761 124.0704 56.5311 41.6678 174.7267 66 G 4.2691 8.3891 107.1023 44.6589 0.0000 172.2031 67 P 4.6106 0.0000 0.0000 62.0080 32.1545 176.1554 68 R 3.9955 8.5858 122.6492 57.0786 30.7906 174.7945 69 R 4.8166 8.1491 120.0694 54.6405 34.3485 174.7910 70 Q 4.4192 8.5649 118.8867 55.5454 30.9241 175.6965 71 G 3.7686 8.6164 106.3815 43.7087 0.0000 171.5677 72 P 4.3011 0.0000 0.0000 62.9817 32.2776 176.0577 73 D 4.2911 8.6336 115.5786 55.0361 38.8873 172.5460 74 P 4.6169 0.0000 0.0000 63.0242 31.4196 177.2272 75 R 3.8212 7.9648 118.9680 56.0140 30.3412 174.9763 76 P 4.4303 0.0000 0.0000 62.6859 32.5982 175.5275 77 E 4.4610 8.7007 122.2059 56.2729 31.5096 174.6475 78 Q 5.0956 8.3346 119.5231 53.8913 31.8134 176.4470 79 V 3.8081 8.3930 119.5975 64.7038 31.8522 175.8301 80 I 4.5160 7.2431 119.8503 59.5972 37.0423 174.6037 81 H 4.3874 8.6241 122.2551 58.0597 29.4927 175.5388 82 H 4.2269 7.4810 118.1820 54.9013 33.4715 172.6487 83 I 4.4599 7.7715 125.5614 59.3612 39.6591 173.0256 84 R 4.5054 7.9930 128.8451 53.8392 32.9361 174.4320 85 R 3.8742 8.5330 126.7266 57.2281 30.3770 174.3853 86 I 3.7998 8.8866 128.2795 62.2429 37.6825 175.4425 87 S 3.9268 7.0091 127.1365 59.2349 62.7210 174.2247 88 K 4.5192 8.1329 127.8225 53.8996 33.6348 176.4160 89 P 4.3180 0.0000 0.0000 65.0404 31.2663 177.4360 90 G 3.8509 7.8794 106.1287 45.9838 0.0000 174.1874 91 R 4.4232 7.6237 120.4154 54.5961 30.8605 173.2951 92 R 3.9379 8.1673 122.2512 55.5403 31.1039 176.2954 93 V 4.2555 7.7018 121.3457 61.2406 34.1231 173.7867 94 Y 5.4694 8.3250 123.8236 56.7403 42.3189 175.0967 95 V 4.5454 8.2796 112.0228 60.1506 36.7532 174.5712 96 G 4.0994 8.6544 113.8485 44.8043 0.0000 174.9452 97 V 3.5759 8.6133 122.6156 64.6259 31.1102 177.6037 98 K 4.2029 7.9800 114.9297 57.3903 31.9916 177.2332 99 E 4.5358 8.2521 120.3554 55.9888 31.3122 173.8102 100 I 4.5622 7.9416 123.0699 59.1630 41.0029 173.3792 101 P 4.0210 0.0000 0.0000 62.6016 32.1026 177.4199 102 R 4.2656 8.4209 125.4448 53.9143 28.9449 175.7200 103 V 3.6528 7.7330 118.2345 64.5735 32.0926 175.4610 104 R 3.0437 9.4473 126.4016 56.8015 28.9885 175.4639 105 R 3.6057 8.4296 110.8053 56.6716 28.3460 174.7836 106 G 4.4164 8.1901 112.2225 45.9884 0.0000 173.3860 107 L 3.9962 7.9639 118.3839 57.3813 41.6743 177.6877 108 G 4.3284 7.7389 104.7885 45.3628 0.0000 172.7920 109 I 5.0938 9.1148 119.1189 59.0293 41.7933 174.3598 110 A 5.0971 8.8597 127.8695 50.3991 21.8083 175.2772 111 I 4.7524 8.4348 123.6299 61.2891 39.6649 175.8669 112 L 4.8231 8.3832 122.6941 55.6753 43.8762 174.0211 113 S 4.3127 8.9597 120.4162 58.8508 63.5497 172.9704 114 T 5.0475 8.6222 116.3381 59.6674 72.3100 174.8457 115 S 4.3344 8.9105 116.0981 60.2139 62.8308 175.2959 116 K 4.4000 7.9741 119.0320 55.9623 32.6045 175.4557 117 G 3.8765 8.0688 106.4276 43.9177 0.0000 173.3158 118 V 4.1013 8.0491 119.0863 63.0758 32.2473 175.1320 119 L 4.9386 8.3104 125.5423 53.8680 45.7207 174.8643 120 T 5.1117 7.8077 108.2410 60.2069 72.1221 174.8117 121 D 4.4139 9.1435 122.4045 57.2607 39.1217 179.5431 122 R 3.9033 7.9742 119.5448 58.5922 29.8533 178.6294 123 E 3.9430 8.1557 117.4531 59.7239 29.6284 179.5975 124 A 4.0556 9.4544 120.9619 55.0256 18.4930 179.6940 125 R 3.8894 8.1948 117.4625 59.4076 29.8671 178.0627 126 K 3.8241 8.0639 118.8834 59.9965 32.2449 178.4647 127 L 4.1260 7.7775 118.7784 55.2159 42.6648 176.8867 128 G 3.7857 7.8391 105.7116 46.2756 0.0000 173.5574 129 V 4.5665 7.8601 109.1446 59.5226 36.2288 177.1527 130 G 4.6051 8.0446 109.6121 44.7686 0.0000 172.9797 131 G 4.2672 7.9502 106.2715 45.3001 0.0000 171.2713 132 E 4.9531 8.8382 122.1676 55.1366 30.4508 176.4597 133 L 4.0434 8.5970 130.4651 55.9273 42.7318 177.3452 134 I 3.9442 8.9596 128.7141 62.9021 37.7176 176.4936 135 C 4.9364 7.4322 113.6965 57.8481 32.8946 171.1716 136 E 5.2890 8.5514 116.5891 54.7746 32.3701 175.3479 137 V 4.5459 8.3847 120.5755 61.2128 35.8095 174.5916 138 W 4.6475 8.2036 123.4908 57.4400 28.4238 174.0788 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 8.30 4.22 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 2 L 8.04 3.24 0.00 1.82 1.71 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.55 3.99 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 4 D 7.68 4.43 0.00 2.56 2.55 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 5 P 0.00 4.30 0.00 2.22 2.06 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 6 I 8.15 3.48 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.75 0.91 0.00 0.00 7 A 8.94 3.88 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 8 D 8.29 4.03 0.00 2.79 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 9 M 7.95 3.87 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 10 L 7.37 3.95 0.00 1.79 1.57 0.83 0.61 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 11 T 8.61 3.77 4.31 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 1.16 0.00 0.00 12 R 8.04 3.63 0.00 1.95 1.98 0.00 3.20 0.00 0.00 3.51 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 13 I 7.60 3.67 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.75 0.80 0.00 0.00 14 R 7.78 3.82 0.00 1.96 1.94 0.00 3.00 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 15 N 8.79 4.51 0.00 2.77 2.82 0.00 0.00 6.98 7.23 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 16 A 7.90 4.21 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 17 T 7.74 4.19 4.37 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 1.07 0.00 0.00 18 R 7.18 3.85 0.00 1.79 1.89 0.00 3.05 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 19 V 7.75 4.05 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 0.72 0.00 0.00 0.97 0.00 0.00 20 Y 6.61 3.85 0.00 3.20 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 21 K 7.81 4.41 0.00 1.74 1.78 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.42 7.81 22 E 8.71 4.10 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 23 S 7.52 5.41 0.00 3.75 3.66 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 24 T 7.80 4.32 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 1.24 0.00 0.00 25 D 8.64 5.79 0.00 2.63 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 26 V 8.05 4.66 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 0.81 0.00 0.00 0.90 0.00 0.00 27 P 0.00 4.05 0.00 1.80 1.69 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.89 0.00 28 A 8.58 4.27 1.21 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 0.00 0.00 0.00 29 S 8.34 4.62 0.00 3.83 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.46 3.96 0.00 1.94 2.01 0.00 3.27 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 31 F 8.20 4.23 0.00 3.12 3.04 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 0.00 0.00 0.00 0.00 32 K 8.43 3.75 0.00 1.92 1.72 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.52 7.81 33 E 7.98 3.46 0.00 2.06 1.81 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 2.17 2.51 0.00 34 E 7.66 4.07 0.00 1.93 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 2.63 2.57 0.00 35 I 7.21 3.58 1.75 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.42 0.74 0.00 0.00 36 L 7.76 3.83 0.00 1.44 1.49 0.51 0.59 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 37 R 9.14 4.01 0.00 2.15 2.18 0.00 3.12 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.88 0.00 38 I 8.14 4.30 2.06 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 1.54 0.98 0.96 0.00 0.00 39 L 8.71 4.54 0.00 1.85 1.83 0.75 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.95 4.20 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 41 R 7.43 4.14 0.00 1.96 2.06 0.00 3.24 0.00 0.00 3.26 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 42 E 7.33 4.49 0.00 2.23 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 2.39 2.52 0.00 43 G 8.77 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.94 4.69 0.00 3.25 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 45 I 7.30 4.93 2.12 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.03 0.96 0.00 0.00 46 K 8.77 4.11 0.00 2.06 1.97 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.51 7.81 47 G 6.13 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 48 Y 7.63 6.01 0.00 3.05 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 49 E 8.76 4.63 0.00 2.06 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 0.00 2.62 2.45 0.00 50 R 9.20 3.98 0.00 1.80 2.05 0.00 3.24 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.85 0.00 51 V 7.93 4.74 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 0.96 0.00 0.00 1.00 0.00 0.00 52 D 8.51 4.84 0.00 2.63 2.53 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 0.00 0.00 0.00 0.00 53 V 8.42 4.18 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 0.68 0.00 0.00 0.75 0.00 0.00 54 D 8.96 4.40 0.00 2.99 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 55 G 8.67 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 56 K 8.12 4.01 0.00 2.37 1.83 0.00 1.90 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.76 7.81 57 P 0.00 4.80 0.00 2.09 2.22 0.00 3.58 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 58 Y 8.31 4.85 0.00 3.12 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.91 4.98 0.00 1.50 1.50 0.71 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.82 4.32 0.00 1.93 1.52 0.00 3.17 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.16 0.00 61 V 8.78 4.12 2.12 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 0.94 0.00 0.00 0.89 0.00 0.00 62 Y 8.60 4.57 0.00 3.07 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 63 L 8.82 4.53 0.00 1.90 1.38 0.93 0.92 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 64 K 8.54 4.78 0.00 1.84 1.91 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.53 7.81 65 Y 8.78 4.94 0.00 2.79 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 66 G 8.39 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 0.00 0.00 0.00 0.00 67 P 0.00 4.61 0.00 2.09 2.07 0.00 3.84 0.00 0.00 3.61 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 68 R 8.59 4.00 0.00 1.78 1.88 0.00 3.12 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 69 R 8.15 4.82 0.00 1.62 1.77 0.00 3.22 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 70 Q 8.56 4.42 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.55 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 71 G 8.62 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 0.00 0.00 0.00 72 P 0.00 4.30 0.00 2.06 2.01 0.00 3.84 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 2.03 2.08 0.00 73 D 8.63 4.29 0.00 2.81 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 74 P 0.00 4.62 0.00 2.23 2.24 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 75 R 7.96 3.82 0.00 1.99 2.05 0.00 3.79 0.00 0.00 3.54 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 76 P 0.00 4.43 0.00 2.03 1.91 0.00 2.93 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.40 0.00 77 E 8.70 4.46 0.00 2.15 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 2.45 2.47 0.00 78 Q 8.33 5.10 0.00 1.89 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.88 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 79 V 8.39 3.81 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 1.00 0.00 0.00 0.98 0.00 0.00 80 I 7.24 4.52 1.71 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.79 0.67 0.00 0.00 81 H 8.62 4.39 0.00 3.23 3.52 0.00 5.94 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 82 H 7.48 4.23 0.00 2.05 1.31 0.00 5.74 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.77 4.46 1.54 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.66 0.73 0.00 0.00 84 R 7.99 4.51 0.00 1.68 1.62 0.00 3.15 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 85 R 8.53 3.87 0.00 1.79 1.76 0.00 3.51 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 86 I 8.89 3.80 2.11 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 1.17 0.99 0.89 0.00 0.00 87 S 7.01 3.93 0.00 3.76 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 88 K 8.13 4.52 0.00 1.77 1.67 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.54 7.81 89 P 0.00 4.32 0.00 2.15 2.16 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 90 G 7.88 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.62 4.42 0.00 1.79 1.72 0.00 3.08 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 92 R 8.17 3.94 0.00 1.70 1.48 0.00 3.48 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 1.61 1.59 0.00 93 V 7.70 4.26 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 0.96 0.00 0.00 0.89 0.00 0.00 94 Y 8.33 5.47 0.00 2.91 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 95 V 8.28 4.55 2.35 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 0.71 0.00 0.00 1.02 0.00 0.00 96 G 8.65 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 97 V 8.61 3.58 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 0.79 0.00 0.00 0.97 0.00 0.00 98 K 7.98 4.20 0.00 1.89 1.96 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.47 7.81 99 E 8.25 4.54 0.00 2.01 1.91 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 2.26 2.29 0.00 100 I 7.94 4.56 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 1.44 0.71 0.94 0.00 0.00 101 P 0.00 4.02 0.00 2.08 2.03 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 102 R 8.42 4.27 0.00 1.91 1.87 0.00 3.21 0.00 0.00 3.41 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 103 V 7.73 3.65 2.24 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 1.21 0.00 0.00 1.07 0.00 0.00 104 R 9.45 3.04 0.00 1.41 1.84 0.00 2.64 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.23 0.00 105 R 8.43 3.61 0.00 1.91 1.84 0.00 3.38 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 106 G 8.19 4.42 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 0.00 107 L 7.96 4.00 0.00 1.70 1.79 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.74 4.33 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 0.00 109 I 9.11 5.09 2.14 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.57 1.08 0.00 0.00 110 A 8.86 5.10 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 0.00 111 I 8.43 4.75 1.84 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 1.28 0.82 0.91 0.00 0.00 112 L 8.38 4.82 0.00 1.83 1.78 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.96 4.31 0.00 4.27 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 0.00 114 T 8.62 5.05 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 1.30 0.00 0.00 115 S 8.91 4.33 0.00 3.89 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 0.00 116 K 7.97 4.40 0.00 1.75 1.80 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.35 7.81 117 G 8.07 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 0.00 0.00 0.00 118 V 8.05 4.10 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 0.73 0.00 0.00 0.92 0.00 0.00 119 L 8.31 4.94 0.00 1.67 1.55 0.95 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 120 T 7.81 5.11 4.30 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 0.00 0.00 1.31 0.00 0.00 121 D 9.14 4.41 0.00 2.91 3.02 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 0.00 0.00 0.00 122 R 7.97 3.90 0.00 1.90 2.04 0.00 3.17 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 123 E 8.16 3.94 0.00 2.25 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 0.00 2.36 2.38 0.00 124 A 9.45 4.06 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 0.00 125 R 8.19 3.89 0.00 2.13 2.03 0.00 3.13 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 126 K 8.06 3.82 0.00 1.99 1.92 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.51 7.81 127 L 7.78 4.13 0.00 1.69 1.73 0.93 1.00 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 0.00 128 G 7.84 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 0.00 0.00 0.00 129 V 7.86 4.57 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 0.71 0.00 0.00 0.95 0.00 0.00 130 G 8.04 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.95 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 0.00 0.00 0.00 0.00 132 E 8.84 4.95 0.00 2.42 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 2.26 2.00 0.00 133 L 8.60 4.04 0.00 1.78 1.56 0.93 0.89 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 0.00 134 I 8.96 3.94 2.02 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.78 0.89 0.00 0.00 135 C 7.43 4.94 0.00 3.06 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 0.00 136 E 8.55 5.29 0.00 2.21 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 0.00 2.32 2.21 0.00 137 V 8.38 4.55 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 0.31 0.00 0.00 0.67 0.00 0.00 138 W 8.20 4.65 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