NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 K 4.1586 8.3101 121.7887 55.3845 33.8251 176.1974 14 A 3.9651 8.2443 120.1150 51.1184 19.6795 176.1185 15 S 4.5587 8.7874 112.0189 57.9617 66.1569 174.4329 16 Q 4.5881 8.4805 122.1361 55.0063 31.1527 175.4269 17 S 4.8402 8.1086 112.5585 57.5048 66.6843 174.9621 18 R 3.9069 8.4008 121.6078 59.5168 29.7879 179.6005 19 S 4.1442 8.0665 114.4915 61.4252 62.7853 176.2146 20 A 4.0275 8.0081 123.4947 55.0339 17.8700 179.8159 21 K 3.8982 7.9948 115.8642 59.5754 32.3408 178.8620 22 A 4.3159 7.8355 117.1620 51.6951 18.4498 177.2603 23 G 3.8418 7.7213 105.3897 46.8545 0.0000 173.9854 24 L 4.8012 8.3531 118.1691 52.9687 44.3675 176.6676 25 T 4.5813 9.4672 113.7953 61.7753 68.1037 173.6488 26 F 4.7731 8.1618 118.5291 55.4392 40.8687 174.2419 27 P 4.3318 0.0000 0.0000 63.3217 31.0515 177.3126 28 V 3.8408 8.3038 126.6549 65.5890 31.5210 177.9300 29 G 3.6440 8.0675 105.0867 47.6370 0.0000 175.4663 30 R 3.8803 7.9271 120.5741 59.3962 30.3091 178.6603 31 V 3.8068 7.8630 117.8847 66.1925 31.4903 177.4061 32 H 4.2878 8.1816 118.1038 58.8304 29.7635 177.0481 33 R 3.8465 8.2334 120.8973 59.4398 30.0301 178.2119 34 L 4.0288 8.5496 118.9234 58.0656 41.4866 179.6161 35 L 4.0832 7.6788 117.4056 58.0121 41.6223 179.6825 36 R 4.0904 7.6544 116.3970 59.4087 30.3681 178.9411 37 R 4.3035 8.0897 116.1283 57.3568 30.0235 178.1481 38 G 3.9392 8.1138 104.8532 43.8274 0.0000 173.3469 39 N 4.1202 7.3623 115.7624 54.1797 35.8761 173.0105 40 Y 4.6111 7.4461 113.9886 57.8650 41.1528 175.6794 41 A 4.3599 7.5473 118.9863 51.4974 21.6991 175.9441 42 Q 4.1129 9.1122 121.0293 58.8335 29.2528 176.9344 43 R 4.6301 7.7430 114.5459 54.2500 32.3996 175.7643 44 I 4.3786 8.1155 121.6777 59.0715 38.7378 175.9024 45 G 3.9378 8.5967 115.0355 45.5549 0.0000 173.6117 46 S 4.1410 8.6740 115.2961 60.3597 63.5784 175.6195 47 G 3.7950 8.0459 109.2087 47.1017 0.0000 175.3088 48 A 4.0136 7.6813 122.6685 55.0176 18.1777 178.0307 49 P 4.3464 0.0000 0.0000 65.8714 31.5407 178.8713 50 V 3.5827 7.6702 117.6797 65.8404 31.5558 177.2054 51 Y 3.7856 8.4457 119.6599 60.5528 38.7379 177.3537 52 L 4.0160 8.4585 121.6208 58.8691 41.9513 178.8841 53 T 3.9419 8.1793 115.2058 66.7140 68.4118 176.1791 54 A 3.9149 7.8388 122.1168 55.3116 18.4310 179.3875 55 V 3.4899 7.5838 116.4641 66.2804 31.5059 177.7371 56 L 3.9395 8.0528 118.2630 58.2529 41.6700 179.4577 57 E 2.5400 7.9725 118.7585 59.4772 29.3221 177.2208 58 Y 4.1157 7.9537 119.5858 60.0531 38.6502 177.6656 59 L 3.3467 8.2525 118.7296 57.9243 42.1165 179.5325 60 A 3.9532 8.3815 120.3141 55.3897 18.2912 179.5057 61 A 4.0114 7.8306 118.7244 54.4754 18.4130 179.5226 62 E 3.6314 8.0075 118.6051 59.4253 29.6113 179.0870 63 I 3.6098 8.0281 120.0125 64.3442 37.1437 178.0613 64 L 4.0575 7.5213 119.5097 58.1143 41.4260 179.1754 65 E 3.8763 8.6107 118.8914 59.3642 29.5117 178.5794 66 L 3.9217 7.6819 118.4587 58.0652 41.9347 179.6575 67 A 4.0826 8.9905 121.4713 54.8271 18.2218 180.0481 68 G 3.4614 8.1974 104.5854 48.0390 0.0000 175.5076 69 N 4.2248 8.3595 119.7502 55.8835 38.3899 176.9230 70 A 4.0191 7.9076 120.5684 55.3965 18.6436 179.2849 71 A 3.5954 7.5710 118.0524 55.3809 18.5310 180.0285 72 R 4.0259 8.2912 118.0962 58.9673 29.9079 178.8873 73 D 4.6617 8.6315 118.3564 56.6651 40.6314 177.3431 74 N 4.8681 8.2029 116.8226 52.9061 39.7192 174.8421 75 K 4.4022 8.2276 115.0095 56.6120 30.8180 175.1468 76 K 4.7064 7.4372 116.5327 54.9463 34.5858 177.1017 77 T 4.3857 8.4037 110.3162 61.5078 70.1740 174.2990 78 R 4.4749 7.7046 122.5849 54.1069 31.4453 175.2290 79 I 4.0118 8.4556 127.0310 61.3395 37.6129 175.3801 80 I 4.5519 8.1887 118.2096 57.8931 40.4290 174.4330 81 P 4.1970 0.0000 0.0000 66.0229 30.8584 178.4698 82 R 3.8467 8.0244 116.6769 59.9251 29.7375 177.9492 83 H 4.2158 8.0291 115.5042 58.9818 28.6992 177.4651 84 L 3.9584 8.0350 120.1673 58.7428 41.4520 178.6651 85 Q 4.0684 8.6084 119.5990 58.3196 28.8969 177.9707 86 L 3.9270 8.6277 119.3868 58.2667 42.0159 179.5360 87 A 3.9708 8.6994 120.7571 55.1661 18.1436 179.4964 88 I 3.6216 8.3416 118.0165 64.7681 37.4249 178.7841 89 R 4.0619 8.2520 117.6924 59.1215 29.9023 178.3987 90 N 4.5858 7.8636 114.9070 54.2404 39.2586 175.4207 91 D 4.4380 7.6862 121.2297 53.8086 42.1045 176.0304 92 D 4.2962 8.8843 126.1706 57.6553 41.3738 178.0627 93 E 3.9625 8.0988 118.4960 59.3850 29.5554 179.3698 94 L 3.9377 8.8976 119.2491 57.7894 41.5476 178.6866 95 N 4.2515 7.9308 115.6793 56.8514 38.7792 176.4252 96 K 4.0868 8.3087 120.8395 59.4646 32.1426 178.6369 97 L 4.0454 8.0627 119.5803 57.0302 42.3293 177.3140 98 L 4.7639 8.3776 118.8111 54.1609 42.2965 178.8682 99 G 3.6868 7.8265 110.8049 48.2475 0.0000 174.8615 100 N 4.9465 7.9281 115.9822 53.0202 39.2564 174.6546 101 V 4.4123 7.5422 116.7013 61.1089 34.2620 174.2769 102 T 4.4673 8.4350 120.5577 60.1889 69.4901 173.2000 103 I 4.0318 8.1456 129.1807 59.3799 37.3738 174.3625 104 A 4.0880 8.4239 129.4609 55.1671 17.8197 176.4902 105 Q 3.9976 9.0525 119.8436 56.9951 25.7211 174.9999 106 G 3.7494 8.2194 106.1283 44.8941 0.0000 176.4198 107 G 3.8916 7.9563 108.2195 45.6768 0.0000 173.0259 108 V 4.5542 7.9171 110.6909 59.0662 35.7506 175.1868 109 L 4.1051 8.3580 121.9675 54.3072 42.0405 175.7261 110 P 4.3415 0.0000 0.0000 62.5606 31.9305 175.7184 111 N 4.2252 8.0857 115.8643 53.1758 41.2545 173.5501 112 I 4.4072 8.3579 127.0409 59.2542 39.4240 174.9677 113 H 4.0428 8.8645 125.1677 56.5288 30.4028 175.5053 114 Q 3.9919 8.7570 125.0348 59.4896 28.5881 178.6383 115 N 4.6430 8.3368 110.9782 54.6522 38.4103 175.1736 116 L 4.5990 7.9148 117.4109 54.3219 43.3012 176.3178 117 L 4.7904 7.5804 118.4121 52.2530 43.9547 175.1097 118 P 4.4732 0.0000 0.0000 65.1034 33.0354 176.5782 119 K 4.2642 8.7385 119.7451 55.8286 38.6805 175.0921 120 K 4.3976 9.2422 117.2546 57.2624 34.1718 175.0063 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 13 K 8.31 4.16 0.00 1.73 1.68 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.45 7.81 14 A 8.24 3.97 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 15 S 8.79 4.56 0.00 3.93 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 16 Q 8.48 4.59 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 17 S 8.11 4.84 0.00 4.04 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 18 R 8.40 3.91 0.00 1.88 2.03 0.00 3.11 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 19 S 8.07 4.14 0.00 3.89 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 20 A 8.01 4.03 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 21 K 7.99 3.90 0.00 1.91 1.89 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.69 7.81 22 A 7.84 4.32 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 23 G 7.72 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.35 4.80 0.00 1.60 1.61 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 25 T 9.47 4.58 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 1.36 0.00 0.00 26 F 8.16 4.77 0.00 3.02 2.97 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 27 P 0.00 4.33 0.00 2.26 2.22 0.00 3.57 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.93 0.00 28 V 8.30 3.84 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 1.27 0.00 0.00 0.99 0.00 0.00 29 G 8.07 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 30 R 7.93 3.88 0.00 1.89 2.13 0.00 3.17 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 31 V 7.86 3.81 2.27 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 1.04 0.00 0.00 1.06 0.00 0.00 32 H 8.18 4.29 0.00 3.48 3.56 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.23 3.85 0.00 2.11 2.03 0.00 3.18 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 34 L 8.55 4.03 0.00 1.73 1.81 0.96 0.66 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 35 L 7.68 4.08 0.00 1.89 1.73 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.65 4.09 0.00 1.95 1.98 0.00 3.15 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 37 R 8.09 4.30 0.00 1.90 1.96 0.00 3.13 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 38 G 8.11 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 39 N 7.36 4.12 0.00 2.67 2.66 0.00 0.00 6.69 7.34 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 40 Y 7.45 4.61 0.00 2.89 2.92 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 41 A 7.55 4.36 1.24 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 0.00 0.00 0.00 42 Q 9.11 4.11 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 43 R 7.74 4.63 0.00 1.83 1.82 0.00 3.21 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 44 I 8.12 4.38 1.87 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 1.36 0.94 0.93 0.00 0.00 45 G 8.60 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 46 S 8.67 4.14 0.00 3.98 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 47 G 8.05 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 48 A 7.68 4.01 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 49 P 0.00 4.35 0.00 2.35 2.47 0.00 3.68 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 2.18 2.07 0.00 50 V 7.67 3.58 2.34 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 1.04 0.00 0.00 0.95 0.00 0.00 51 Y 8.45 3.79 0.00 3.22 3.05 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 0.00 0.00 0.00 52 L 8.46 4.02 0.00 1.91 1.72 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.18 3.94 4.29 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 1.38 0.00 0.00 54 A 7.84 3.91 1.23 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 0.00 0.00 0.00 55 V 7.58 3.49 2.31 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 1.10 0.00 0.00 0.93 0.00 0.00 56 L 8.05 3.94 0.00 1.95 1.86 1.02 0.77 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 57 E 7.97 2.54 0.00 1.32 1.60 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 1.97 1.49 0.00 58 Y 7.95 4.12 0.00 3.05 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 59 L 8.25 3.35 0.00 1.75 1.61 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.38 3.95 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 61 A 7.83 4.01 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 62 E 8.01 3.63 0.00 1.37 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 2.05 2.24 0.00 63 I 8.03 3.61 1.83 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 1.49 0.60 0.90 0.00 0.00 64 L 7.52 4.06 0.00 1.81 1.74 1.00 1.19 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 65 E 8.61 3.88 0.00 2.09 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 2.29 2.39 0.00 66 L 7.68 3.92 0.00 1.81 1.70 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.99 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 68 G 8.20 3.46 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 0.00 69 N 8.36 4.22 0.00 2.95 2.88 0.00 0.00 6.94 8.38 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 70 A 7.91 4.02 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 71 A 7.57 3.60 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 72 R 8.29 4.03 0.00 1.78 1.98 0.00 3.14 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 73 D 8.63 4.66 0.00 2.82 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 74 N 8.20 4.87 0.00 2.79 2.87 0.00 0.00 7.15 6.28 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 75 K 8.23 4.40 0.00 1.86 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.39 7.81 76 K 7.44 4.71 0.00 1.79 1.70 0.00 1.67 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.64 7.81 77 T 8.40 4.39 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 78 R 7.70 4.47 0.00 1.78 1.87 0.00 3.25 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 79 I 8.46 4.01 1.90 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 1.60 0.65 0.95 0.00 0.00 80 I 8.19 4.55 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.68 0.90 0.00 0.00 81 P 0.00 4.20 0.00 2.15 2.16 0.00 3.59 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 2.11 2.16 0.00 82 R 8.02 3.85 0.00 1.85 1.80 0.00 3.29 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 83 H 8.03 4.22 0.00 3.39 3.48 0.00 5.71 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 84 L 8.04 3.96 0.00 1.86 1.74 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.61 4.07 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.63 0.00 0.00 0.00 0.00 0.00 2.67 2.45 0.00 86 L 8.63 3.93 0.00 1.95 1.76 0.95 1.34 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 87 A 8.70 3.97 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 88 I 8.34 3.62 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 1.51 0.89 0.91 0.00 0.00 89 R 8.25 4.06 0.00 1.74 2.00 0.00 3.32 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.82 0.00 90 N 7.86 4.59 0.00 2.71 2.87 0.00 0.00 6.98 8.33 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 91 D 7.69 4.44 0.00 2.86 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 92 D 8.88 4.30 0.00 2.79 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 93 E 8.10 3.96 0.00 2.16 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 2.41 2.37 0.00 94 L 8.90 3.94 0.00 1.71 1.69 0.88 0.62 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 95 N 7.93 4.25 0.00 2.99 3.10 0.00 0.00 7.25 6.00 0.00 0.00 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 K 8.31 4.09 0.00 1.86 1.90 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 97 L 8.06 4.05 0.00 1.73 1.88 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.38 4.76 0.00 1.66 1.61 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.83 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 0.00 100 N 7.93 4.95 0.00 2.72 2.84 0.00 0.00 6.59 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 0.00 101 V 7.54 4.41 2.25 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 0.77 0.00 0.00 0.94 0.00 0.00 102 T 8.44 4.47 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 0.00 103 I 8.15 4.03 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 1.35 0.35 0.91 0.00 0.00 104 A 8.42 4.09 1.26 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 0.00 0.00 105 Q 9.05 4.00 0.00 2.16 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 106 G 8.22 3.75 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 0.00 107 G 7.96 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 0.00 108 V 7.92 4.55 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 0.78 0.00 0.00 0.93 0.00 0.00 109 L 8.36 4.11 0.00 1.63 1.61 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.34 0.00 2.04 1.98 0.00 3.71 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 2.03 2.07 0.00 111 N 8.09 4.23 0.00 2.60 2.66 0.00 0.00 6.88 7.94 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 0.00 112 I 8.36 4.41 1.88 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 1.31 0.80 0.92 0.00 0.00 113 H 8.86 4.04 0.00 3.21 3.20 0.00 5.89 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 0.00 114 Q 8.76 3.99 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 115 N 8.34 4.64 0.00 2.80 2.90 0.00 0.00 6.75 7.85 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 0.00 116 L 7.91 4.60 0.00 1.77 1.69 0.93 0.70 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 0.00 117 L 7.58 4.79 0.00 1.61 1.57 0.92 0.98 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 0.00 118 P 0.00 4.47 0.00 2.04 2.10 0.00 3.72 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 2.02 2.07 0.00 119 K 8.74 4.26 0.00 1.65 1.46 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.47 7.81 120 K 9.24 4.40 0.00 1.98 1.99 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.42 7.81