NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 3.9627 7.9014 120.3899 62.1567 32.2937 174.4652 4 G 3.6449 8.6422 116.8036 47.0257 0.0000 171.5375 5 G 3.9060 9.8518 114.4758 45.4190 0.0000 171.0152 6 I 4.4147 7.8559 121.0192 58.9149 39.0490 176.1305 7 E 4.1126 8.4152 124.3928 56.4436 31.2364 178.1002 8 D 4.4399 8.7366 122.5279 57.3573 41.0605 179.3205 9 R 4.0098 7.9346 116.2070 58.9705 29.5098 178.8302 10 Q 3.9871 7.8531 118.6663 58.5604 28.8313 177.8634 11 L 3.9193 7.9101 121.3728 58.1948 42.1498 178.8703 12 E 3.9135 8.2985 118.2610 59.4142 29.3450 179.2315 13 A 3.9893 7.8985 120.4320 55.0236 18.3685 179.6685 14 L 3.9014 8.1138 117.7438 57.9748 41.7424 179.8727 15 K 3.9457 8.2497 118.5363 59.5600 32.0754 179.6835 16 R 3.8899 8.0341 118.1068 59.1488 30.0981 178.9534 17 A 3.9740 8.2775 120.5849 54.9165 18.1517 179.5590 18 A 3.8978 8.1682 119.3332 55.2846 18.6139 179.6909 19 L 3.9911 7.7947 117.7340 57.9360 41.8922 179.8766 20 K 4.1241 7.9997 117.0877 59.0727 32.6986 178.9106 21 A 4.0561 7.8335 122.4643 54.8490 18.1294 178.7513 22 C 4.2067 7.6733 111.9779 60.3045 29.3452 175.3404 23 E 4.0926 7.9007 119.5415 58.4553 29.5282 177.2944 24 L 4.3065 7.7975 118.3459 54.9804 42.2348 177.0225 25 S 4.2923 7.5963 114.7932 58.4856 62.9234 173.0478 26 Y 4.6424 8.9485 128.8303 56.0667 39.5551 175.4545 27 S 4.6576 7.6670 124.5408 56.3287 62.9247 173.4166 28 P 4.0942 0.0000 0.0000 64.9449 32.1968 177.6453 29 Y 4.2248 7.8515 116.5723 59.8850 38.5815 176.6088 30 S 4.4014 8.4678 112.1463 58.0779 64.0599 174.6346 31 H 4.0552 8.0678 115.6858 56.1622 26.6797 174.1327 32 F 4.6587 8.0992 122.5746 57.1331 38.9312 174.9425 33 R 4.6029 8.9100 128.5326 54.8568 31.1631 176.4420 34 V 4.4770 9.0972 123.6684 60.9117 35.0719 174.3948 35 G 4.3841 8.9485 113.5534 43.6577 0.0000 171.2032 36 C 5.5072 9.0173 121.9070 57.5693 35.6508 172.8565 37 S 5.2569 9.0567 118.6712 56.7084 66.5192 172.7586 38 I 4.9933 8.9313 122.5339 59.5190 41.1153 173.9147 39 L 5.0849 8.8616 129.0367 53.8432 43.6475 176.1281 40 T 4.6867 8.7607 117.0287 60.7321 70.2828 175.4695 41 N 4.2051 8.4368 120.6445 56.5542 38.9916 175.3765 42 N 4.5338 8.2343 114.2559 53.9093 39.2796 173.8305 43 D 4.4757 8.6136 116.4889 56.3869 38.9785 173.4019 44 V 4.4288 7.7561 117.9072 61.1833 34.3533 174.0576 45 I 4.9146 8.1290 127.6160 59.8683 38.8303 174.9538 46 F 4.9037 9.1076 124.9880 55.7958 42.4537 174.3806 47 T 5.1912 8.4927 110.4634 60.3778 72.1249 172.7352 48 G 4.3509 9.2020 108.7542 45.3815 0.0000 171.2214 49 A 5.6390 8.4921 120.2654 49.0077 23.3097 175.1789 50 N 4.8285 8.6862 116.5500 52.8811 39.2757 174.3938 51 V 4.8393 8.9090 121.2465 61.5386 34.2585 174.9206 52 E 4.8959 9.4965 128.3696 55.6713 31.2342 175.0549 53 N 5.1175 8.2012 117.4714 52.0887 41.6415 173.8199 54 A 3.3837 8.9011 126.7608 54.8218 18.7045 177.7037 55 S 4.4578 8.9002 112.0349 56.8784 61.9850 173.7782 56 Y 4.3648 8.7422 127.2997 61.3065 37.8460 179.4017 57 S 4.1724 8.1683 112.9204 61.2069 62.5208 174.4129 58 N 4.6489 8.4007 115.7321 54.0719 38.6533 175.0797 59 C 4.5010 7.8076 117.4307 59.9927 28.9764 173.1465 60 I 4.4816 8.5967 124.2088 59.5344 39.4609 175.5357 61 C 4.6661 8.6275 124.1407 59.2543 29.3815 174.7859 62 A 4.0757 8.5940 123.1143 54.9212 17.9512 179.6315 63 E 3.8836 8.1985 116.5843 59.9482 29.5203 179.8676 64 R 3.5488 7.7681 117.2530 58.9192 30.1060 179.1466 65 S 4.0085 7.9297 114.9851 61.4725 62.8543 176.5218 66 A 3.9513 8.1268 123.6192 55.4224 18.0617 179.6503 67 M 3.5786 7.9329 117.1663 58.2478 31.9587 178.9424 68 I 3.6782 7.7989 120.1180 64.4762 36.7919 178.2751 69 Q 3.9500 7.9006 118.6757 59.0148 28.7131 179.2865 70 V 2.1911 7.2406 118.7717 65.6119 31.4588 178.0184 71 L 3.9846 7.9922 119.0222 58.0784 41.2720 179.2205 72 M 4.2137 8.2752 116.8570 57.0127 32.0317 177.5154 73 A 4.4738 7.2939 118.9464 52.0798 19.3508 177.8716 74 G 3.8019 7.9738 105.6534 45.5659 0.0000 174.2647 75 H 4.6888 7.6113 117.8399 54.5306 27.4144 174.8914 76 R 4.4001 8.1919 120.3481 55.7577 30.5051 176.0987 77 S 4.0615 7.8649 111.3338 58.5746 65.1806 174.6097 78 G 3.9515 8.5604 106.4280 45.8765 0.0000 173.5976 79 W 4.7987 7.8603 118.5933 56.9757 29.5775 176.0313 80 K 4.6249 9.2100 121.3161 58.3885 33.0721 176.1537 81 C 4.2473 7.9014 117.0003 58.8013 35.1138 172.2879 82 M 5.3019 8.1397 121.6993 53.9005 35.8888 173.7900 83 V 4.9276 8.9068 124.9860 61.1362 35.1591 174.0615 84 I 5.0057 9.0292 127.8456 59.5801 40.6654 173.9424 85 C 5.0585 9.4137 127.6487 57.7327 33.7974 173.4529 86 G 4.1947 8.4816 113.8190 44.5449 0.0000 171.1963 87 D 4.5687 7.2267 117.0096 54.4967 41.7074 175.9911 88 S 4.8419 7.9082 113.6833 56.2179 64.3679 174.7686 89 E 4.0827 9.0491 125.0835 58.6670 29.4410 179.1800 90 D 5.0438 7.6305 116.2183 52.8853 41.7623 176.0691 91 Q 4.5832 7.7631 117.8382 55.0987 32.2809 173.5502 92 C 4.4710 8.8112 125.1663 59.6758 28.9502 173.6248 93 V 4.0506 8.2151 124.7267 61.4700 31.6502 175.8796 94 S 4.8607 8.5664 119.6682 55.4863 65.1822 172.2103 95 P 4.8871 0.0000 0.0000 62.0855 31.8933 176.8295 96 C 4.6234 8.5181 117.5522 57.5730 32.1175 174.9859 97 G 3.6906 8.5707 106.9680 47.8504 0.0000 176.0037 98 V 3.7030 7.7788 120.0200 66.2295 31.5711 177.8367 99 C 4.3308 8.1022 116.0209 62.7332 28.0574 176.0694 100 R 4.0399 8.1458 119.9157 59.3483 29.4313 178.8777 101 Q 4.0285 7.9958 118.3898 59.0030 29.1735 177.7830 102 F 4.1505 8.1722 121.5632 61.3510 39.5259 177.2927 103 I 4.0966 8.4908 119.9504 64.5534 36.7422 177.8246 104 N 4.2398 8.2098 116.7863 56.6713 38.6712 176.1339 105 E 3.6224 7.5973 119.8963 57.9352 29.6245 177.0451 106 F 4.3796 7.7360 114.7233 56.6856 40.7553 175.2141 107 V 4.1742 7.0565 112.2682 58.9033 34.6836 175.4413 108 V 4.0105 7.8679 114.3500 60.3920 32.4468 177.8170 109 K 4.0111 8.5859 120.5015 60.0766 32.3575 178.0563 110 D 4.7150 8.0159 116.5089 54.1214 41.3630 175.7974 111 F 4.3514 8.2693 124.1505 58.2381 40.3242 172.4159 112 P 4.7148 0.0000 0.0000 62.4455 33.1637 175.1361 113 I 4.6639 8.5615 123.5822 59.5876 40.3753 174.4496 114 V 4.5550 9.0124 128.4903 61.8830 33.3314 174.4582 115 M 5.2387 9.2348 127.5524 53.5770 34.7786 174.8336 116 L 5.6599 9.3189 123.2442 51.8048 45.9925 176.0450 117 N 5.1545 8.4975 119.0737 51.8160 39.1173 175.7926 118 S 4.6010 9.2145 113.1859 60.4149 62.7931 176.3157 119 T 4.0812 7.9450 108.8221 61.3504 69.5372 175.6384 120 G 3.9628 8.1042 110.2059 45.2228 0.0000 174.4889 121 S 4.2814 7.7329 114.7502 59.9016 63.5703 174.5661 122 R 4.8860 8.5892 120.6795 54.2026 33.0367 175.0776 123 S 5.1050 8.5637 116.3706 56.6801 66.6797 173.1340 124 K 4.6292 9.0121 122.0779 54.8894 35.6471 174.8328 125 V 4.9451 8.4647 126.4107 61.5429 34.0213 174.4210 126 M 5.0301 8.6902 125.7957 54.0396 36.9587 175.0182 127 T 4.7205 8.4521 111.5589 61.0598 70.4836 175.5036 128 M 4.2149 9.0248 121.9710 59.1015 31.9561 178.7780 129 G 3.6558 8.1758 104.4377 47.8437 0.0000 175.2015 130 E 4.1783 7.8295 120.2287 59.2611 29.5981 179.0353 131 L 4.3345 7.9345 118.0956 56.0869 43.0624 177.2307 132 L 4.7602 7.8742 119.5208 52.1846 41.9084 173.7231 133 P 4.4543 0.0000 0.0000 63.4820 32.4574 176.0967 134 M 3.1579 8.7228 118.3811 55.4789 29.6489 177.3713 135 A 4.0364 8.1048 118.9711 52.7144 19.2498 178.1336 136 F 4.4715 8.7757 122.3306 58.5150 39.4942 175.0799 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 3 V 7.90 3.96 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 0.89 0.00 0.00 0.90 0.00 0.00 4 G 8.64 3.64 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 0.00 0.00 0.00 5 G 9.85 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 6 I 7.86 4.41 1.93 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 1.27 0.93 0.91 0.00 0.00 7 E 8.42 4.11 0.00 2.06 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 2.34 2.47 0.00 8 D 8.74 4.44 0.00 2.68 2.72 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 9 R 7.93 4.01 0.00 2.03 2.18 0.00 2.96 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 10 Q 7.85 3.99 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 11 L 7.91 3.92 0.00 1.76 1.78 0.89 1.00 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 12 E 8.30 3.91 0.00 2.02 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 2.60 2.47 0.00 13 A 7.90 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.11 3.90 0.00 1.96 1.72 0.92 1.25 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 15 K 8.25 3.95 0.00 1.91 1.85 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.71 7.81 16 R 8.03 3.89 0.00 2.10 1.95 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 17 A 8.28 3.97 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 18 A 8.17 3.90 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 19 L 7.79 3.99 0.00 1.85 1.71 0.90 0.89 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 20 K 8.00 4.12 0.00 2.04 2.04 0.00 1.18 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.68 7.81 21 A 7.83 4.06 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 22 C 7.67 4.21 0.00 3.21 3.13 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 23 E 7.90 4.09 0.00 2.17 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 2.59 2.33 0.00 24 L 7.80 4.31 0.00 1.72 1.75 0.91 0.73 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 25 S 7.60 4.29 0.00 3.80 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 26 Y 8.95 4.64 0.00 3.03 2.88 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 27 S 7.67 4.66 0.00 4.02 3.90 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 28 P 0.00 4.09 0.00 1.64 1.83 0.00 2.94 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.23 0.00 29 Y 7.85 4.22 0.00 2.97 3.09 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 30 S 8.47 4.40 0.00 3.94 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 31 H 8.07 4.06 0.00 3.38 3.44 0.00 5.64 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.10 4.66 0.00 2.92 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 33 R 8.91 4.60 0.00 1.52 1.75 0.00 3.25 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 34 V 9.10 4.48 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 1.03 0.00 0.00 0.91 0.00 0.00 35 G 8.95 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 C 9.02 5.51 0.00 2.95 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 37 S 9.06 5.26 0.00 3.88 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 38 I 8.93 4.99 1.63 0.00 0.00 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 1.10 0.62 0.61 0.00 0.00 39 L 8.86 5.08 0.00 1.79 1.60 0.91 0.88 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 40 T 8.76 4.69 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 1.10 0.00 0.00 41 N 8.44 4.21 0.00 2.99 3.00 0.00 0.00 7.12 7.67 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 42 N 8.23 4.53 0.00 2.86 2.91 0.00 0.00 7.02 8.47 0.00 0.00 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 D 8.61 4.48 0.00 2.86 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 44 V 7.76 4.43 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 0.68 0.00 0.00 1.03 0.00 0.00 45 I 8.13 4.91 1.78 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 1.33 0.70 0.87 0.00 0.00 46 F 9.11 4.90 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 47 T 8.49 5.19 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 1.18 0.00 0.00 48 G 9.20 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 0.00 0.00 0.00 0.00 49 A 8.49 5.64 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 50 N 8.69 4.83 0.00 2.81 2.98 0.00 0.00 5.32 7.68 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 51 V 8.91 4.84 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 1.17 0.00 0.00 0.98 0.00 0.00 52 E 9.50 4.90 0.00 1.91 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 2.27 2.43 0.00 53 N 8.20 5.12 0.00 2.72 2.76 0.00 0.00 6.89 7.96 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 54 A 8.90 3.38 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 55 S 8.90 4.46 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 56 Y 8.74 4.36 0.00 2.94 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 57 S 8.17 4.17 0.00 3.85 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 58 N 8.40 4.65 0.00 2.89 2.86 0.00 0.00 7.04 7.66 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 59 C 7.81 4.50 0.00 2.88 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 60 I 8.60 4.48 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 1.22 1.01 0.84 0.00 0.00 61 C 8.63 4.67 0.00 2.86 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 62 A 8.59 4.08 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 63 E 8.20 3.88 0.00 2.06 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 0.00 2.47 2.51 0.00 64 R 7.77 3.55 0.00 1.75 1.54 0.00 2.84 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.38 0.00 65 S 7.93 4.01 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 66 A 8.13 3.95 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 67 M 7.93 3.58 0.00 2.29 2.15 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 2.78 2.41 0.00 68 I 7.80 3.68 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.87 0.90 0.00 0.00 69 Q 7.90 3.95 0.00 2.25 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.70 0.00 70 V 7.24 2.19 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 0.37 0.00 0.00 0.17 0.00 0.00 71 L 7.99 3.98 0.00 1.82 1.66 0.73 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 72 M 8.28 4.21 0.00 1.95 2.16 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.85 0.00 73 A 7.29 4.47 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 74 G 7.97 3.80 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 0.00 0.00 0.00 75 H 7.61 4.69 0.00 3.20 3.47 0.00 5.65 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.19 4.40 0.00 1.81 1.99 0.00 3.29 0.00 0.00 3.30 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 77 S 7.86 4.06 0.00 3.82 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 78 G 8.56 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 79 W 7.86 4.80 0.00 3.29 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 80 K 9.21 4.62 0.00 1.70 1.94 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.51 7.81 81 C 7.90 4.25 0.00 2.85 2.67 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 82 M 8.14 5.30 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 83 V 8.91 4.93 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 0.92 0.00 0.00 0.91 0.00 0.00 84 I 9.03 5.01 1.90 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 1.15 0.54 0.94 0.00 0.00 85 C 9.41 5.06 0.00 2.89 2.85 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 86 G 8.48 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 0.00 0.00 0.00 0.00 87 D 7.23 4.57 0.00 1.58 1.67 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 88 S 7.91 4.84 0.00 4.17 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 89 E 9.05 4.08 0.00 1.97 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 2.32 2.32 0.00 90 D 7.63 5.04 0.00 2.61 2.63 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 0.00 0.00 0.00 0.00 91 Q 7.76 4.58 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.61 6.92 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 92 C 8.81 4.47 0.00 2.92 2.88 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 93 V 8.22 4.05 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 0.77 0.00 0.00 1.05 0.00 0.00 94 S 8.57 4.86 0.00 4.02 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 95 P 0.00 4.89 0.00 2.14 2.19 0.00 3.78 0.00 0.00 5.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 96 C 8.52 4.62 0.00 3.17 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 97 G 8.57 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 98 V 7.78 3.70 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 1.15 0.00 0.00 0.97 0.00 0.00 99 C 8.10 4.33 0.00 3.21 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 0.00 100 R 8.15 4.04 0.00 2.09 2.06 0.00 3.18 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.00 0.00 101 Q 8.00 4.03 0.00 2.24 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.96 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 102 F 8.17 4.15 0.00 3.45 3.25 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 0.00 103 I 8.49 4.10 2.04 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 1.69 1.06 1.04 0.00 0.00 104 N 8.21 4.24 0.00 2.85 3.00 0.00 0.00 7.22 7.25 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 0.00 105 E 7.60 3.62 0.00 1.43 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 1.47 1.47 0.00 106 F 7.74 4.38 0.00 1.98 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 0.00 0.00 0.00 107 V 7.06 4.17 1.65 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 -0.10 0.00 0.00 0.82 0.00 0.00 108 V 7.87 4.01 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 0.87 0.00 0.00 1.06 0.00 0.00 109 K 8.59 4.01 0.00 1.96 2.09 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.50 7.81 110 D 8.02 4.72 0.00 2.74 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 0.00 111 F 8.27 4.35 0.00 3.27 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 0.00 112 P 0.00 4.71 0.00 1.98 2.03 0.00 3.37 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 1.70 1.84 0.00 113 I 8.56 4.66 2.06 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.86 0.99 0.00 0.00 114 V 9.01 4.56 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 0.87 0.00 0.00 0.88 0.00 0.00 115 M 9.23 5.24 0.00 2.21 1.93 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 116 L 9.32 5.66 0.00 1.50 1.51 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.50 5.15 0.00 3.08 2.98 0.00 0.00 5.72 7.57 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 0.00 118 S 9.21 4.60 0.00 3.93 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 0.00 119 T 7.95 4.08 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 0.00 120 G 8.10 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 0.00 121 S 7.73 4.28 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 4.89 0.00 1.74 1.82 0.00 3.07 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 123 S 8.56 5.10 0.00 3.80 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 0.00 124 K 9.01 4.63 0.00 1.86 1.63 0.00 1.47 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.42 7.81 125 V 8.46 4.95 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 0.84 0.00 0.00 0.91 0.00 0.00 126 M 8.69 5.03 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 127 T 8.45 4.72 4.50 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 0.00 0.00 0.00 1.28 0.00 0.00 128 M 9.02 4.21 0.00 2.56 2.38 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 2.67 2.67 0.00 129 G 8.18 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 0.00 0.00 0.00 130 E 7.83 4.18 0.00 2.11 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 2.36 2.37 0.00 131 L 7.93 4.33 0.00 1.84 1.79 0.99 0.89 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 0.00 132 L 7.87 4.76 0.00 1.57 1.56 0.98 1.11 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 0.00 133 P 0.00 4.45 0.00 2.10 1.99 0.00 3.91 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.36 0.00 134 M 8.72 3.16 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 135 A 8.10 4.04 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 0.00 136 F 8.78 4.47 0.00 2.93 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