NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1453 8.1727 122.0465 56.2733 34.1248 174.1270 2 V 4.5907 8.1407 126.8268 60.6081 32.4233 174.4133 3 F 4.4918 10.0360 128.8741 57.5823 40.1493 174.9956 4 E 4.2171 9.2073 121.1376 55.6400 30.9453 176.8185 5 R 3.2568 8.9868 120.1826 60.9572 29.9387 179.3884 6 C 4.3626 8.0253 115.5596 59.7668 40.3262 176.1217 7 Q 3.9468 7.9931 119.1692 59.1595 28.2600 178.2612 8 L 3.5402 7.9312 122.1308 57.5101 42.0290 178.6522 9 A 3.9361 7.7750 120.7530 55.4299 18.2410 179.9251 10 R 3.8969 8.0384 116.4439 59.4811 30.1414 179.4576 11 T 3.8513 7.8599 115.6289 66.6289 68.5404 176.7261 12 L 3.8481 8.2018 121.2673 57.5139 41.6204 179.4457 13 K 3.8940 8.1263 119.6283 59.6056 31.9388 178.8336 14 R 3.9403 8.0606 117.9702 59.0061 30.0067 177.4653 15 L 4.3962 7.3792 115.9382 54.1801 41.7060 177.0039 16 G 3.8773 7.8996 106.8688 46.7771 0.0000 175.0570 17 M 3.9539 7.7953 121.0427 56.3920 32.3542 175.6250 18 D 4.5732 8.0155 117.5651 55.9770 40.8880 175.6987 19 G 3.9429 9.3294 115.5145 45.3715 0.0000 171.1848 20 Y 4.2333 8.3452 121.9926 58.8153 39.0215 176.4942 21 R 3.5241 8.9496 127.2245 57.2987 27.8159 177.1299 22 G 3.7884 8.1711 102.4379 45.8773 0.0000 173.8833 23 I 4.0762 7.6101 122.0250 58.9652 38.0248 175.9134 24 S 4.6455 8.3075 120.3736 57.7632 63.8605 175.0049 25 L 4.2554 8.4823 121.9250 58.4737 41.7127 179.2779 26 A 4.1498 7.6650 118.9477 55.2724 18.2363 179.4257 27 N 4.4503 8.1619 114.5592 56.3485 38.5583 177.7231 28 W 4.2846 8.0416 119.8912 59.9863 29.1042 178.3812 29 M 4.1506 8.4553 118.8145 58.5829 31.4612 177.9556 30 C 3.2303 8.1217 118.6453 59.0496 43.1234 175.3415 31 L 4.0036 8.1595 121.8068 58.3231 41.7780 178.8752 32 A 4.2512 8.4044 122.1886 54.3190 18.2571 179.5442 33 K 2.8373 8.2298 118.3061 59.3466 32.0717 179.2001 34 W 4.2141 7.8143 117.4155 59.2581 29.0496 178.3575 35 E 4.3510 8.4741 118.9025 58.7517 29.2017 177.8685 36 S 4.5095 7.8777 108.9913 56.7926 65.0326 174.3151 37 G 3.2226 8.1712 108.9230 47.0467 0.0000 173.3057 38 Y 3.6353 7.6472 113.2923 58.7439 35.0763 168.9087 39 N 5.2961 7.6086 118.0629 51.8981 39.9057 175.4853 40 T 4.0413 9.0587 118.1347 63.9939 69.1331 175.9596 41 R 4.3160 7.9493 116.6597 55.5920 29.9287 176.0886 42 A 4.3672 7.6213 121.5952 52.8260 19.3620 177.3196 43 T 5.4799 8.2075 110.2420 59.6791 72.4331 172.9267 44 N 4.8892 8.3801 121.3064 52.2758 42.0771 172.2180 45 Y 4.6759 8.7328 127.8597 57.1983 40.9050 173.8925 46 N 4.5399 8.3770 124.6162 51.0708 38.7242 175.2626 47 A 3.6725 8.2267 127.4111 54.6224 19.0074 179.3308 48 G 3.7184 8.0802 104.4734 48.1614 0.0000 174.0094 49 D 4.7439 7.5893 116.4299 52.0573 40.0554 176.2566 50 R 3.9074 8.1129 116.0495 57.0604 28.0941 175.8279 51 S 4.9681 7.2681 110.1807 57.0914 66.4372 172.7449 52 T 5.1191 8.7794 115.6338 61.9861 72.8580 172.8703 53 D 5.4419 8.9904 125.3439 53.3159 43.1454 175.0676 54 Y 4.8329 9.0973 120.8524 57.4458 41.5109 177.3182 55 G 4.5422 8.9698 112.0275 46.2192 0.0000 173.5142 56 I 3.9082 8.1298 116.4625 62.8631 38.0208 178.0827 57 F 4.8898 7.9241 115.6950 56.4099 39.9479 175.0641 58 Q 3.6121 7.8893 119.2637 57.0651 26.6546 174.2943 59 I 4.3417 8.0575 118.6507 61.2140 39.1348 176.8379 60 N 5.3847 9.2005 126.0554 53.4144 39.8024 175.7631 61 S 4.6580 9.0197 120.2433 60.2667 63.4791 175.4274 62 R 3.7630 8.7369 122.2143 58.7791 30.3667 177.7720 63 Y 4.5567 7.7611 113.8791 57.2837 40.6893 177.0833 64 W 4.8807 8.1283 119.1493 57.7123 30.5702 173.6788 65 C 5.5693 7.8597 110.5496 53.5590 45.2331 171.8527 66 N 4.7698 8.8584 119.8483 52.2851 39.6871 174.9063 67 D 4.8731 8.5044 122.9930 52.1793 40.3083 177.8491 68 G 4.0409 8.3749 106.8016 46.3394 0.0000 174.6286 69 K 4.5278 8.1184 116.7843 56.5230 33.0205 175.6024 70 T 4.6449 7.6735 116.8659 61.3102 69.8177 172.1986 71 P 4.1607 0.0000 0.0000 64.0864 31.7446 176.0586 72 G 3.9334 8.8812 109.3054 46.2362 0.0000 173.1049 73 A 4.2802 7.4190 120.1197 51.6718 19.3132 177.6242 74 V 4.3376 8.4148 112.4857 59.2357 35.5604 176.1058 75 N 4.9356 7.9917 116.7622 51.9945 37.6205 174.4763 76 A 3.9409 9.0972 125.1373 55.0472 19.1002 178.4910 77 C 4.5604 8.5377 110.8187 57.3206 41.1186 173.0501 78 H 4.0544 7.9538 116.6371 56.6171 26.3968 174.0989 79 L 4.8332 8.3552 117.7258 52.8652 46.4933 176.6946 80 S 4.6244 8.3568 115.3653 57.9658 63.3177 176.0149 81 C 4.0632 8.7283 124.3374 59.6474 39.9370 176.3554 82 S 3.9501 7.8289 114.7699 61.3815 61.6686 175.9937 83 A 4.0272 7.8247 122.2075 54.4486 18.1034 177.9412 84 L 4.4650 7.7931 116.3652 55.0614 41.8154 177.5662 85 L 5.0424 7.9900 117.6765 54.5625 42.3468 176.6383 86 Q 4.4114 7.8318 117.4528 55.2056 29.7286 175.9625 87 D 4.3887 8.5589 120.2857 57.2139 41.1305 176.8687 88 N 4.5469 8.0129 118.1664 53.2948 39.2569 174.6199 89 I 4.2478 8.4915 118.8206 61.0060 37.9849 177.0121 90 A 3.9412 8.4006 124.8285 56.0924 18.1554 180.1777 91 D 4.2905 8.0819 116.4105 57.4071 40.8981 178.7417 92 A 4.0953 7.9801 120.9257 54.9934 18.3415 179.7648 93 V 3.3759 8.1732 117.0569 65.9696 31.6535 178.0704 94 A 3.8255 8.0420 120.6323 55.3043 18.1206 178.8660 95 C 4.2188 8.4264 116.7919 59.7165 39.8613 175.5998 96 A 3.9285 8.2778 122.8155 55.0388 17.5876 179.7999 97 K 3.7739 7.7306 116.4601 59.4339 32.3178 179.1322 98 R 4.0826 7.7577 118.9131 59.3544 30.0969 178.6101 99 V 2.5459 7.5868 117.9986 65.8464 31.0057 178.1640 100 V 3.8744 7.7720 110.4206 62.9981 31.2647 177.9657 101 R 4.2522 7.6263 116.8781 56.9431 30.5423 176.3611 102 D 4.7491 7.5082 119.5695 52.4709 42.0153 175.3569 103 P 4.2261 0.0000 0.0000 66.3746 30.9942 177.9274 104 Q 3.9944 8.1632 117.6321 56.2835 29.9145 177.3646 105 G 3.6892 7.8961 106.9201 46.6990 0.0000 175.7982 106 I 3.4975 7.7910 119.7307 63.5281 37.9131 177.9336 107 R 4.2074 7.2401 117.3044 57.6828 29.9764 177.4533 108 A 3.8701 7.7340 121.2568 54.1644 18.7534 177.6665 109 W 4.6712 8.0034 117.0082 55.4461 29.6975 177.4414 110 V 3.7353 8.7437 123.8328 66.0315 30.9370 177.5699 111 A 4.0134 8.3133 120.1292 54.8774 18.1201 179.2443 112 W 4.0187 8.4127 126.5740 60.6283 30.5728 178.4454 113 R 3.7773 8.2241 116.4750 59.3223 29.6791 178.3852 114 N 4.3705 8.2297 115.1937 55.6569 38.7196 176.8519 115 R 4.1357 7.8595 115.5735 55.8315 31.3542 175.7581 116 C 4.5194 7.1216 115.1317 57.7556 42.8104 174.2912 117 Q 3.1032 6.6790 120.2308 57.1455 28.6971 175.4861 118 N 4.1776 8.5973 121.1481 54.4446 36.2749 173.8954 119 R 4.5214 7.2858 114.8169 54.1107 33.2899 175.8986 120 D 4.5674 8.4375 119.2296 53.9716 40.1594 175.9335 121 V 4.5693 8.1304 118.4964 61.0637 32.4375 178.3967 122 R 4.0512 8.0346 121.8344 59.2884 30.3964 178.9503 123 Q 4.0367 8.1166 115.3513 59.1143 28.5552 178.2497 124 Y 4.2840 7.9089 115.8031 60.1133 38.2937 176.8493 125 V 4.3778 7.8412 111.0173 60.7113 32.8691 175.5228 126 Q 4.1977 7.5461 119.8430 57.2815 28.7516 177.0177 127 G 3.9403 8.9239 110.3280 46.0541 0.0000 174.4296 128 C 4.4472 8.0550 115.4923 56.5112 40.5672 174.1445 129 G 3.8962 8.1098 107.2521 46.5299 0.0000 174.2560 130 V 3.9942 7.8406 118.1076 61.0794 31.9439 175.8437 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 K 8.17 4.15 0.00 1.98 1.58 0.00 1.20 0.00 0.00 0.84 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.81 1.09 7.81 2 V 8.14 4.59 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 0.91 0.00 0.00 0.95 0.00 0.00 3 F 10.04 4.49 0.00 2.81 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 4 E 9.21 4.22 0.00 1.95 1.86 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 2.32 2.26 0.00 5 R 8.99 3.26 0.00 1.95 1.90 0.00 3.43 0.00 0.00 3.46 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 6 C 8.03 4.36 0.00 3.00 3.11 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 0.00 0.00 0.00 0.00 7 Q 7.99 3.95 0.00 2.32 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.91 0.00 0.00 0.00 0.00 0.00 2.89 2.78 0.00 8 L 7.93 3.54 0.00 1.32 1.40 -0.32 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.77 3.94 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 10 R 8.04 3.90 0.00 1.88 1.99 0.00 3.14 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 11 T 7.86 3.85 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 1.24 0.00 0.00 12 L 8.20 3.85 0.00 1.70 1.57 0.90 0.42 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 13 K 8.13 3.89 0.00 1.95 1.93 0.00 1.65 0.00 0.00 1.58 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 R 8.06 3.94 0.00 2.04 1.93 0.00 3.30 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 15 L 7.38 4.40 0.00 1.67 1.56 0.88 0.99 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 16 G 7.90 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 17 M 7.80 3.95 0.00 1.36 1.98 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.22 0.00 18 D 8.02 4.57 0.00 2.69 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 19 G 9.33 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 20 Y 8.35 4.23 0.00 3.38 3.24 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 21 R 8.95 3.52 0.00 1.85 1.82 0.00 3.26 0.00 0.00 2.98 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.28 0.00 22 G 8.17 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 23 I 7.61 4.08 1.74 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.86 -0.29 0.00 0.00 24 S 8.31 4.65 0.00 4.06 4.03 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 25 L 8.48 4.26 0.00 2.11 1.81 0.98 1.11 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 26 A 7.67 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.16 4.45 0.00 2.81 2.76 0.00 0.00 6.99 7.24 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 28 W 8.04 4.28 0.00 3.53 3.07 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 0.00 0.00 0.00 29 M 8.46 4.15 0.00 2.15 2.33 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.93 0.00 30 C 8.12 3.23 0.00 2.61 3.17 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 31 L 8.16 4.00 0.00 1.89 1.92 0.71 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.40 4.25 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 33 K 8.23 2.84 0.00 1.56 1.72 0.00 0.68 0.00 0.00 1.02 0.00 0.00 2.57 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.23 0.43 7.81 34 W 7.81 4.21 0.00 3.43 3.27 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 35 E 8.47 4.35 0.00 2.02 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 0.00 2.60 2.57 0.00 36 S 7.88 4.51 0.00 4.06 4.12 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 0.00 0.00 0.00 0.00 37 G 8.17 3.22 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 0.00 0.00 0.00 0.00 38 Y 7.65 3.64 0.00 3.27 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 39 N 7.61 5.30 0.00 2.85 2.84 0.00 0.00 7.01 7.10 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 40 T 9.06 4.04 4.45 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 1.48 0.00 0.00 41 R 7.95 4.32 0.00 2.01 2.09 0.00 3.08 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 42 A 7.62 4.37 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 43 T 8.21 5.48 4.08 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 1.23 0.00 0.00 44 N 8.38 4.89 0.00 2.83 2.86 0.00 0.00 6.71 7.56 0.00 0.00 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 8.73 4.68 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 46 N 8.38 4.54 0.00 2.63 2.59 0.00 0.00 6.64 7.58 0.00 0.00 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 A 8.23 3.67 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 48 G 8.08 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 49 D 7.59 4.74 0.00 2.74 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 50 R 8.11 3.91 0.00 2.04 2.18 0.00 3.12 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 51 S 7.27 4.97 0.00 3.93 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 52 T 8.78 5.12 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 0.71 0.00 0.00 53 D 8.99 5.44 0.00 2.69 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 54 Y 9.10 4.83 0.00 2.96 2.91 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 55 G 8.97 4.54 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 0.00 56 I 8.13 3.91 1.69 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 2.28 0.07 0.00 0.00 57 F 7.92 4.89 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.89 3.61 0.00 2.54 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.84 0.00 0.00 0.00 0.00 0.00 2.51 2.70 0.00 59 I 8.06 4.34 2.14 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.19 1.11 0.00 0.00 60 N 9.20 5.38 0.00 3.10 3.06 0.00 0.00 6.98 7.29 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 61 S 9.02 4.66 0.00 4.07 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 0.00 62 R 8.74 3.76 0.00 1.58 1.27 0.00 2.67 0.00 0.00 2.84 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 63 Y 7.76 4.56 0.00 1.56 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 0.00 0.00 0.00 0.00 64 W 8.13 4.88 0.00 3.68 3.27 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 65 C 7.86 5.57 0.00 3.15 3.19 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 66 N 8.86 4.77 0.00 2.79 2.70 0.00 0.00 7.04 8.49 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 D 8.50 4.87 0.00 2.98 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 68 G 8.37 4.04 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 0.00 0.00 0.00 69 K 8.12 4.53 0.00 1.89 1.88 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.45 7.81 70 T 7.67 4.64 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 1.16 0.00 0.00 71 P 0.00 4.16 0.00 2.01 1.99 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 72 G 8.88 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 0.00 0.00 0.00 73 A 7.42 4.28 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 74 V 8.41 4.34 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 0.62 0.00 0.00 0.86 0.00 0.00 75 N 7.99 4.94 0.00 2.74 2.56 0.00 0.00 6.77 7.71 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 76 A 9.10 3.94 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 77 C 8.54 4.56 0.00 3.30 3.24 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 78 H 7.95 4.05 0.00 3.28 3.35 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 79 L 8.36 4.83 0.00 1.67 1.49 0.99 0.67 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 80 S 8.36 4.62 0.00 3.83 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 81 C 8.73 4.06 0.00 2.23 1.18 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 82 S 7.83 3.95 0.00 3.89 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 83 A 7.82 4.03 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 84 L 7.79 4.46 0.00 1.94 1.82 1.06 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.99 5.04 0.00 1.75 1.70 1.12 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.83 4.41 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.31 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 87 D 8.56 4.39 0.00 2.61 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 88 N 8.01 4.55 0.00 2.69 2.74 0.00 0.00 6.95 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 89 I 8.49 4.25 1.79 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.62 1.04 0.00 0.00 90 A 8.40 3.94 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 91 D 8.08 4.29 0.00 2.75 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 92 A 7.98 4.10 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 93 V 8.17 3.38 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 0.79 0.00 0.00 nan 0.00 0.00 94 A 8.04 3.83 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 95 C 8.43 4.22 0.00 3.15 3.28 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 96 A 8.28 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.73 3.77 0.00 1.60 1.42 0.00 1.29 0.00 0.00 0.81 0.00 0.00 2.35 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 0.84 7.81 98 R 7.76 4.08 0.00 2.00 2.16 0.00 3.29 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.99 0.00 99 V 7.59 2.55 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 -0.30 0.00 0.00 -0.51 0.00 0.00 100 V 7.77 3.87 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 1.23 0.00 0.00 1.44 0.00 0.00 101 R 7.63 4.25 0.00 2.04 2.05 0.00 3.25 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.07 0.00 102 D 7.51 4.75 0.00 3.08 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 0.00 103 P 0.00 4.23 0.00 2.15 2.20 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 104 Q 8.16 3.99 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.84 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 105 G 7.90 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 0.00 106 I 7.79 3.50 0.98 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.62 0.00 0.00 107 R 7.24 4.21 0.00 2.02 2.01 0.00 3.22 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.56 0.00 108 A 7.73 3.87 0.75 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 0.00 109 W 8.00 4.67 0.00 3.52 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 0.00 110 V 8.74 3.74 2.18 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 1.18 0.00 0.00 1.00 0.00 0.00 111 A 8.31 4.01 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.41 4.02 0.00 3.51 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.22 3.78 0.00 2.11 2.01 0.00 3.59 0.00 0.00 3.56 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.14 0.00 114 N 8.23 4.37 0.00 2.63 2.70 0.00 0.00 6.93 8.46 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 0.00 115 R 7.86 4.14 0.00 0.78 0.77 0.00 2.79 0.00 0.00 2.84 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.83 0.00 116 C 7.12 4.52 0.00 1.58 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 6.68 3.10 0.00 0.93 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.79 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 118 N 8.60 4.18 0.00 2.78 2.81 0.00 0.00 6.86 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 0.00 119 R 7.29 4.52 0.00 1.73 1.78 0.00 3.23 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 120 D 8.44 4.57 0.00 2.64 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 0.00 121 V 8.13 4.57 2.38 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 0.83 0.00 0.00 1.05 0.00 0.00 122 R 8.03 4.05 0.00 1.97 2.02 0.00 3.26 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 123 Q 8.12 4.04 0.00 2.06 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.91 0.00 0.00 0.00 0.00 0.00 2.18 1.64 0.00 124 Y 7.91 4.28 0.00 3.24 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 0.00 125 V 7.84 4.38 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 0.99 0.00 0.00 1.07 0.00 0.00 126 Q 7.55 4.20 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.77 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 127 G 8.92 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 0.00 128 C 8.06 4.45 0.00 3.02 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 0.00 129 G 8.11 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 0.00 0.00 0.00 130 V 7.84 3.99 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 0.81 0.00 0.00 0.96 0.00 0.00