NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1840 8.3044 118.1945 54.1743 32.7440 173.2342 2 L 3.2687 8.1848 124.3347 54.0154 40.1281 172.4761 3 T 3.9019 8.7356 117.2028 63.7613 70.1393 174.3616 4 D 4.7234 7.7547 123.0027 50.7634 43.4644 173.8483 5 P 4.2609 0.0000 0.0000 65.6431 31.3964 178.7349 6 I 3.6209 7.7883 117.7110 64.3359 37.1090 177.8966 7 A 3.9243 9.5806 122.4723 55.4636 18.1267 179.0631 8 D 4.2290 8.1036 116.2395 57.6304 41.1788 178.2793 9 M 3.9484 7.9846 118.4785 58.7290 32.3533 177.9529 10 L 3.8700 8.5774 119.9107 58.3221 41.6876 179.8853 11 T 3.8284 8.1137 115.5482 66.5556 68.4068 176.8301 12 R 3.9131 8.0478 120.0409 59.3933 30.0261 178.9575 13 I 3.6340 7.8051 119.4216 64.6264 37.1159 178.1227 14 R 3.8336 7.8053 120.5660 58.9813 29.2523 177.9913 15 N 4.2172 9.1360 117.0763 56.3661 38.5756 177.4249 16 A 4.0383 8.0993 122.1541 55.3178 18.5726 179.7968 17 T 4.5351 8.1047 109.7080 64.2269 68.3565 176.4465 18 R 3.7385 7.7535 121.5424 58.4260 30.2467 177.1918 19 V 4.1821 6.9522 109.9788 60.6468 31.9783 175.3035 20 Y 3.2416 6.7485 115.1750 58.6435 35.8339 171.7354 21 K 4.1872 7.8098 118.8731 56.1627 33.5401 176.3233 22 E 4.2144 8.8796 125.2980 59.0558 29.8553 176.3333 23 S 4.9543 7.4995 109.4996 57.8823 66.1900 172.5809 24 T 4.6292 8.6420 113.9437 61.0344 71.1646 171.7007 25 D 5.8500 8.3154 123.1802 51.6962 44.4407 176.1264 26 V 4.5562 8.1472 113.5138 58.8351 36.0626 172.4141 27 P 3.9239 0.0000 0.0000 62.7165 31.6875 175.9315 28 A 4.2060 7.7976 125.8949 52.6915 19.1497 177.2854 29 S 4.3947 8.7948 114.2844 56.6847 65.9103 175.6195 30 R 3.8571 8.8409 126.0962 59.5290 29.9955 177.8346 31 F 4.5068 8.3311 119.6246 60.9505 39.3512 177.0676 32 K 3.7553 8.8420 119.4542 59.0085 31.7636 179.0234 33 E 3.5310 8.0059 118.4526 59.2397 29.4323 178.7500 34 E 4.0238 7.8468 118.0933 59.8954 29.6236 179.1776 35 I 3.4610 7.1361 119.1192 64.3668 37.1403 178.0362 36 L 3.7901 8.0472 119.6883 58.5744 41.5622 179.2536 37 R 3.9699 8.5079 117.6617 60.0620 29.8761 177.7915 38 I 3.7240 8.0302 118.7471 64.7338 37.4665 177.9211 39 L 4.1080 7.9590 119.0803 58.1783 41.5504 179.4057 40 A 4.4686 8.1697 121.3063 54.8761 18.1947 179.3738 41 R 3.9199 7.8730 115.5082 59.7077 30.1872 177.6827 42 E 4.2582 8.5641 115.5659 56.4611 29.8114 177.5460 43 G 3.8610 8.5307 109.1840 45.1164 0.0000 175.5114 44 F 4.1533 7.6313 117.9119 59.4224 39.3053 175.5007 45 I 4.7453 7.3819 113.4876 58.6080 40.4738 176.1886 46 K 3.8269 8.4547 121.9458 57.9386 32.2099 177.5830 47 G 4.2356 7.1269 104.9670 44.7513 0.0000 169.7022 48 Y 5.9890 7.8099 117.4706 55.1181 41.9514 174.5162 49 E 4.4474 8.7224 114.8807 55.1072 32.6614 174.5124 50 R 4.4703 8.9564 125.8983 57.0158 31.0307 175.5429 51 V 4.7433 8.5902 119.0845 59.8358 36.5515 173.7810 52 D 5.4741 8.7168 119.9726 52.8758 44.0858 176.8129 53 V 4.1478 8.5200 121.4429 61.9023 33.3774 174.9289 54 D 4.4595 9.1802 129.5512 55.8550 37.2957 174.3174 55 G 4.0945 8.2345 99.8194 46.1610 0.0000 172.9707 56 K 4.5485 7.6492 116.9736 53.0304 35.6030 174.1542 57 P 4.6463 0.0000 0.0000 64.2904 32.1316 174.7473 58 Y 4.9960 8.5901 118.1725 57.3186 43.6511 173.3505 59 L 4.8519 8.9569 119.0536 53.5253 46.0597 176.1370 60 R 4.6704 8.8591 125.2657 54.7617 31.0854 174.8315 61 V 4.1657 8.4579 127.9738 62.5837 32.5309 174.4441 62 Y 4.7202 9.0883 126.9327 56.7624 38.5897 175.5128 63 L 4.2390 8.3524 124.7329 54.4281 42.9860 176.6911 64 K 4.7001 7.9697 120.6175 55.0178 35.9152 174.4097 65 Y 5.0166 8.4858 122.3108 56.1301 42.8496 175.4981 66 G 4.4433 8.8083 109.8363 45.2064 0.0000 170.9243 67 P 4.7489 0.0000 0.0000 61.8820 33.2762 175.4888 68 R 4.0854 8.3775 120.7230 56.5904 31.0359 175.0815 69 R 4.8118 8.4577 118.2585 54.3850 34.4828 175.6443 70 Q 4.2627 8.6728 119.9957 55.8327 30.1356 176.5930 71 G 3.7865 8.4082 105.8626 43.8848 0.0000 171.2817 72 P 4.3758 0.0000 0.0000 62.3616 32.2744 176.0595 73 D 4.2680 8.4954 115.0260 55.3040 38.9973 171.5491 74 P 4.9021 0.0000 0.0000 62.0663 31.8319 177.1226 75 R 4.1508 7.5299 118.4098 55.7182 30.4571 174.9389 76 P 4.7389 0.0000 0.0000 62.0743 32.6267 175.3573 77 E 4.4889 8.7109 121.0653 56.0470 31.1085 175.4813 78 Q 4.5846 8.6418 123.4572 55.7792 29.3466 176.3404 79 V 3.6655 7.7951 122.2331 65.1170 32.4557 176.2117 80 I 4.2176 7.5036 121.4177 60.0299 36.1411 174.7380 81 H 4.2502 8.1950 122.7732 58.1428 29.1825 175.9659 82 H 4.5389 8.3325 119.7492 54.3072 33.0208 172.1402 83 I 4.6615 8.0228 125.2159 59.1200 40.7053 174.2323 84 R 4.5863 8.5104 129.0174 54.4129 33.7801 173.9725 85 R 4.4144 8.6996 126.8199 56.8367 30.1714 175.8327 86 I 4.3245 8.3481 125.7008 61.3901 39.5910 175.5984 87 S 4.3753 8.0064 114.8603 56.3336 63.8055 172.9390 88 K 4.6015 8.1521 127.3257 53.6938 33.9913 175.9872 89 P 4.1955 0.0000 0.0000 65.8720 31.0450 178.0921 90 G 3.5766 8.0044 106.5647 47.7890 0.0000 173.4728 91 R 4.1905 7.6559 117.1311 55.5878 31.2362 174.3507 92 R 3.9780 8.1990 124.3045 55.9688 31.0457 176.7888 93 V 4.1087 7.9184 118.6069 61.9732 34.3594 173.1687 94 Y 5.4192 8.4181 125.0561 56.4262 41.1384 175.6492 95 V 4.5955 8.9880 114.9782 59.5466 36.5291 175.7605 96 G 4.1204 9.4780 113.3605 44.7302 0.0000 175.0395 97 V 3.5643 8.5323 119.7403 64.5054 31.1239 178.5219 98 K 4.1297 8.0928 117.6595 58.6026 32.4040 176.9443 99 E 4.6652 8.5119 118.2829 55.8318 30.3805 175.8615 100 I 3.7581 7.5300 120.4599 60.8216 37.4099 174.6113 101 P 4.5099 0.0000 0.0000 62.9141 31.8461 176.7430 102 R 4.5135 7.9738 118.1438 53.4618 30.1158 174.2838 103 V 3.6063 7.8663 118.9793 64.4515 32.5499 176.2039 104 R 3.2304 8.7708 126.5658 59.3396 27.6134 176.0141 105 R 3.4830 8.2964 110.1219 58.0014 29.8739 176.0120 106 G 4.2871 8.1317 109.8833 46.4274 0.0000 176.7978 107 L 4.3039 7.8491 117.9426 55.5899 42.3997 178.6896 108 G 4.2524 7.6073 111.1967 45.1568 0.0000 173.4494 109 I 4.6596 7.7732 128.3002 60.7061 40.3605 173.2268 110 A 4.9827 7.9638 129.1591 48.9740 20.9402 175.3061 111 I 4.3255 8.3316 122.1795 62.8320 38.6974 175.3527 112 L 4.5682 8.5542 122.0949 55.0532 44.1535 173.5011 113 S 4.8909 8.7485 117.5267 58.1669 63.6104 173.0580 114 T 5.1310 8.5973 116.6258 59.5872 72.0607 175.1660 115 S 4.3585 8.9206 116.9912 60.3897 62.8615 175.2629 116 K 4.4420 7.6498 118.9172 55.8200 32.5736 177.0712 117 G 3.9243 8.0800 106.4658 44.4774 0.0000 173.0678 118 V 4.4413 8.0458 118.5903 62.7085 32.0815 175.2148 119 L 5.2339 9.0073 126.9819 53.0745 46.7787 176.1020 120 T 4.7058 9.1162 112.2211 60.9529 70.4333 175.7299 121 D 4.3368 8.3718 121.8125 56.7873 39.2219 178.7094 122 R 3.9759 8.0203 119.5940 58.7951 30.0496 178.4690 123 E 3.9582 8.1041 117.7604 59.6597 29.5935 179.5172 124 A 3.8780 7.9444 120.2990 55.1704 18.2152 179.6776 125 R 3.8907 8.0345 116.3974 59.0802 30.2517 178.2246 126 K 4.1722 8.1291 119.5072 58.9480 32.2415 178.3754 127 L 4.1086 8.4231 118.0679 55.4546 41.5752 178.2032 128 G 3.9180 7.5950 106.4559 45.4920 0.0000 173.3049 129 V 4.5134 7.5076 111.3588 59.2990 35.0744 175.1299 130 G 4.4645 9.2940 109.9062 46.1133 0.0000 171.9846 131 G 3.8528 7.4090 106.0518 46.0039 0.0000 169.8600 132 E 4.7564 8.2657 122.4751 55.3861 30.9961 176.9784 133 L 4.1181 8.8598 130.5446 54.9664 41.7561 176.4937 134 I 4.0923 8.6296 128.7048 63.6448 37.8864 175.8187 135 C 5.2722 7.2290 114.3025 57.8739 33.2235 172.4164 136 E 4.9211 8.3293 117.2771 54.7002 32.3688 175.1383 137 V 4.8695 8.5493 120.8419 61.2296 35.1534 174.8628 138 W 4.7776 8.7427 123.5835 57.3412 28.2778 174.0682 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 4.18 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 2 L 8.18 3.27 0.00 1.86 1.72 0.99 0.73 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 3 T 8.74 3.90 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 4 D 7.75 4.72 0.00 2.68 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 4.26 0.00 2.24 2.10 0.00 3.68 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 6 I 7.79 3.62 2.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.65 0.84 0.00 0.00 7 A 9.58 3.92 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 0.00 0.00 0.00 0.00 0.00 8 D 8.10 4.23 0.00 2.90 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 9 M 7.98 3.95 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 10 L 8.58 3.87 0.00 1.74 1.62 0.85 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.11 3.83 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 12 R 8.05 3.91 0.00 1.95 1.95 0.00 3.17 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.84 0.00 13 I 7.81 3.63 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.90 0.82 0.00 0.00 14 R 7.81 3.83 0.00 1.96 1.96 0.00 3.10 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.42 0.00 15 N 9.14 4.22 0.00 2.64 2.84 0.00 0.00 7.06 7.42 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 16 A 8.10 4.04 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 17 T 8.10 4.54 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 1.14 0.00 0.00 18 R 7.75 3.74 0.00 1.89 1.89 0.00 3.17 0.00 0.00 3.06 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 19 V 6.95 4.18 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 0.71 0.00 0.00 1.00 0.00 0.00 20 Y 6.75 3.24 0.00 2.84 2.46 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 21 K 7.81 4.19 0.00 1.74 1.75 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.72 1.37 7.81 22 E 8.88 4.21 0.00 2.13 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 2.48 2.50 0.00 23 S 7.50 4.95 0.00 3.33 3.43 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 24 T 8.64 4.63 4.18 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 1.20 0.00 0.00 25 D 8.32 5.85 0.00 2.10 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 0.00 0.00 0.00 26 V 8.15 4.56 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 0.87 0.00 0.00 0.93 0.00 0.00 27 P 0.00 3.92 0.00 1.91 1.87 0.00 3.81 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 2.11 2.33 0.00 28 A 7.80 4.21 1.32 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 0.00 0.00 29 S 8.79 4.39 0.00 3.99 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 30 R 8.84 3.86 0.00 1.95 2.05 0.00 3.22 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 31 F 8.33 4.51 0.00 3.04 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 32 K 8.84 3.76 0.00 1.86 1.69 0.00 1.84 0.00 0.00 1.60 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.46 7.81 33 E 8.01 3.53 0.00 2.16 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 2.53 2.45 0.00 34 E 7.85 4.02 0.00 2.02 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 2.57 2.69 0.00 35 I 7.14 3.46 1.74 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.62 0.73 0.00 0.00 36 L 8.05 3.79 0.00 1.03 1.24 0.45 0.54 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 8.51 3.97 0.00 2.19 2.06 0.00 3.20 0.00 0.00 3.25 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.92 0.00 38 I 8.03 3.72 2.03 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 1.55 0.58 0.97 0.00 0.00 39 L 7.96 4.11 0.00 1.91 1.85 0.91 0.78 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 40 A 8.17 4.47 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 41 R 7.87 3.92 0.00 1.86 2.21 0.00 3.29 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 42 E 8.56 4.26 0.00 2.27 1.92 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 2.38 2.58 0.00 43 G 8.53 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 44 F 7.63 4.15 0.00 3.12 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 45 I 7.38 4.75 2.09 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.94 0.94 0.00 0.00 46 K 8.45 3.83 0.00 1.90 1.94 0.00 1.93 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.51 1.46 7.81 47 G 7.13 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 0.00 0.00 0.00 0.00 48 Y 7.81 5.99 0.00 2.97 2.95 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 49 E 8.72 4.45 0.00 2.05 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 0.00 2.67 2.45 0.00 50 R 8.96 4.47 0.00 1.99 1.99 0.00 3.22 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 51 V 8.59 4.74 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 0.95 0.00 0.00 1.01 0.00 0.00 52 D 8.72 5.47 0.00 2.54 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 53 V 8.52 4.15 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.91 0.00 0.00 54 D 9.18 4.46 0.00 2.92 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 55 G 8.23 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 7.65 4.55 0.00 2.00 1.51 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.54 7.81 57 P 0.00 4.65 0.00 2.04 2.18 0.00 3.60 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 58 Y 8.59 5.00 0.00 3.17 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 59 L 8.96 4.85 0.00 1.61 1.56 0.83 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.86 4.67 0.00 1.98 1.83 0.00 3.03 0.00 0.00 2.85 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.20 0.00 61 V 8.46 4.17 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 0.90 0.00 0.00 0.89 0.00 0.00 62 Y 9.09 4.72 0.00 3.19 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 8.35 4.24 0.00 1.84 1.35 0.88 1.33 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 64 K 7.97 4.70 0.00 1.74 1.47 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.45 7.81 65 Y 8.49 5.02 0.00 3.04 2.95 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 66 G 8.81 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.75 0.00 2.14 2.23 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 68 R 8.38 4.09 0.00 1.80 1.87 0.00 3.10 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.86 0.00 69 R 8.46 4.81 0.00 1.78 1.75 0.00 3.19 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 70 Q 8.67 4.26 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.43 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 71 G 8.41 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 72 P 0.00 4.38 0.00 2.06 2.01 0.00 3.83 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 73 D 8.50 4.27 0.00 2.80 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 74 P 0.00 4.90 0.00 2.21 2.21 0.00 3.89 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 2.01 1.91 0.00 75 R 7.53 4.15 0.00 1.79 1.60 0.00 3.62 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.49 0.00 76 P 0.00 4.74 0.00 2.23 2.10 0.00 2.47 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.41 0.00 77 E 8.71 4.49 0.00 2.17 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 2.55 2.47 0.00 78 Q 8.64 4.58 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.26 0.00 79 V 7.80 3.67 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 0.94 0.00 0.00 80 I 7.50 4.22 1.73 0.00 0.00 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 1.25 0.74 0.67 0.00 0.00 81 H 8.20 4.25 0.00 2.54 2.89 0.00 5.86 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.33 4.54 0.00 2.12 1.31 0.00 5.72 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.02 4.66 1.61 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.78 0.74 0.00 0.00 84 R 8.51 4.59 0.00 1.83 1.59 0.00 3.17 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 85 R 8.70 4.41 0.00 1.81 1.79 0.00 3.28 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 1.59 1.71 0.00 86 I 8.35 4.32 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.96 0.89 0.00 0.00 87 S 8.01 4.38 0.00 3.71 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.60 0.00 1.83 1.67 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.38 7.81 89 P 0.00 4.20 0.00 2.17 2.20 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 1.99 1.98 0.00 90 G 8.00 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.66 4.19 0.00 1.70 1.78 0.00 3.23 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 92 R 8.20 3.98 0.00 1.38 1.39 0.00 3.49 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 93 V 7.92 4.11 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 0.89 0.00 0.00 0.89 0.00 0.00 94 Y 8.42 5.42 0.00 2.87 2.79 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 95 V 8.99 4.60 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 0.72 0.00 0.00 0.97 0.00 0.00 96 G 9.48 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 0.00 0.00 0.00 97 V 8.53 3.56 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 0.78 0.00 0.00 1.01 0.00 0.00 98 K 8.09 4.13 0.00 1.89 2.00 0.00 1.52 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.48 7.81 99 E 8.51 4.67 0.00 1.91 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 2.23 2.24 0.00 100 I 7.53 3.76 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.77 0.93 0.00 0.00 101 P 0.00 4.51 0.00 2.05 2.00 0.00 3.63 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 2.04 2.12 0.00 102 R 7.97 4.51 0.00 1.85 1.80 0.00 3.21 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 103 V 7.87 3.61 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 1.10 0.00 0.00 1.01 0.00 0.00 104 R 8.77 3.23 0.00 1.84 1.78 0.00 2.53 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.04 0.00 105 R 8.30 3.48 0.00 1.75 1.85 0.00 3.26 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 106 G 8.13 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 0.00 0.00 0.00 0.00 107 L 7.85 4.30 0.00 1.67 1.80 0.93 0.96 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 0.00 108 G 7.61 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 0.00 0.00 0.00 0.00 109 I 7.77 4.66 2.05 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 1.32 1.88 1.31 0.00 0.00 110 A 7.96 4.98 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 0.00 111 I 8.33 4.33 1.84 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 1.40 0.99 0.88 0.00 0.00 112 L 8.55 4.57 0.00 1.98 1.74 0.96 0.82 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 0.00 113 S 8.75 4.89 0.00 4.20 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 0.00 114 T 8.60 5.13 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 1.32 0.00 0.00 115 S 8.92 4.36 0.00 3.88 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 7.65 4.44 0.00 1.80 1.80 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.36 7.81 117 G 8.08 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 0.00 0.00 0.00 118 V 8.05 4.44 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 0.87 0.00 0.00 1.18 0.00 0.00 119 L 9.01 5.23 0.00 1.61 1.52 0.95 0.83 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 0.00 120 T 9.12 4.71 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 1.32 0.00 0.00 121 D 8.37 4.34 0.00 3.11 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 0.00 122 R 8.02 3.98 0.00 1.90 2.05 0.00 3.16 0.00 0.00 3.35 7.55 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 8.10 3.96 0.00 2.07 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 2.36 2.37 0.00 124 A 7.94 3.88 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.03 3.89 0.00 1.93 2.23 0.00 3.27 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 126 K 8.13 4.17 0.00 1.88 2.04 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.48 7.81 127 L 8.42 4.11 0.00 1.86 1.72 0.93 0.60 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 0.00 128 G 7.60 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 0.00 0.00 0.00 129 V 7.51 4.51 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 0.73 0.00 0.00 0.95 0.00 0.00 130 G 9.29 4.46 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 0.00 131 G 7.41 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 0.00 132 E 8.27 4.76 0.00 2.34 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 2.28 2.19 0.00 133 L 8.86 4.12 0.00 1.63 1.58 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.63 4.09 2.03 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.44 0.89 0.00 0.00 135 C 7.23 5.27 0.00 3.01 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 8.33 4.92 0.00 2.14 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 2.20 2.26 0.00 137 V 8.55 4.87 1.63 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 -0.24 0.00 0.00 0.69 0.00 0.00 138 W 8.74 4.78 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