NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9384 8.3549 109.7387 45.6094 0.0000 173.4245 2 L 4.3482 8.4159 124.2919 51.1496 43.1764 175.5625 3 S 4.5341 9.8782 121.0416 57.8609 65.8884 174.7767 4 D 4.8854 8.7120 121.0103 57.1093 40.4773 179.3725 5 G 3.6096 7.9930 106.1485 47.6758 0.0000 175.6260 6 E 3.8376 7.8658 121.0310 58.9772 29.5427 179.5073 7 W 4.2955 8.4256 119.0027 59.8302 28.8831 178.6286 8 Q 4.1511 7.8868 117.6608 58.5567 27.8698 178.0552 9 L 3.9889 7.8273 119.9981 57.9669 41.7909 179.6569 10 V 3.7435 7.7117 117.6579 66.2577 31.3705 177.7940 11 L 4.4240 7.9487 115.6006 56.2549 41.3011 178.4816 12 N 4.5647 8.0821 118.4242 56.5996 39.2131 177.2207 13 V 3.7868 7.6218 119.3370 64.4346 31.7100 178.1486 14 W 4.1546 8.3807 128.7155 60.0267 30.3075 178.1166 15 G 3.7152 7.6557 103.7122 46.8888 0.0000 175.7707 16 K 3.9815 7.6959 120.7163 59.5487 31.9371 179.4557 17 V 2.7846 7.1540 117.8595 65.5431 31.0621 177.1320 18 E 4.0040 7.4010 115.8099 57.5663 29.6085 178.0044 19 A 4.2244 7.4009 119.6929 53.3254 20.2750 177.4899 20 D 4.6433 7.5152 116.3901 52.3272 42.7487 175.5535 21 V 3.4805 7.6981 124.5809 66.0643 32.2336 176.5920 22 A 4.0558 8.0425 120.0355 55.3142 18.2151 179.7186 23 G 3.5005 8.1045 103.5904 48.0112 0.0000 175.6821 24 H 4.1323 8.1371 118.2081 58.4415 28.8571 177.8481 25 G 3.6669 8.1461 107.7299 47.9479 0.0000 175.2816 26 Q 3.8130 7.9300 122.2323 58.8752 29.1522 177.9445 27 E 3.8504 8.0309 120.2416 59.0718 29.5966 179.0851 28 V 3.4474 7.7141 118.3532 65.7791 31.6339 177.9389 29 L 3.2791 7.4119 118.1668 57.6071 41.4062 179.2943 30 I 3.5896 7.3603 119.4473 64.7812 37.1317 178.6737 31 R 3.8495 7.7581 118.4666 59.0325 29.7396 179.0562 32 L 3.8800 7.6233 120.0793 58.1725 42.1470 178.9890 33 F 4.6010 8.0738 118.1480 60.7700 38.6373 177.7682 34 K 4.2017 8.2695 117.0410 58.5126 31.9713 178.9503 35 G 3.7848 7.6506 104.9854 45.6346 0.0000 173.9124 36 H 4.6793 8.5004 118.0756 51.5943 29.6173 171.6449 37 P 4.9170 0.0000 0.0000 64.8965 31.6567 177.4680 38 E 4.1047 8.2301 115.5567 59.1130 29.3494 178.9361 39 T 4.0013 8.6313 111.5935 64.2143 68.8709 176.3447 40 L 3.6626 8.1769 124.2248 57.9057 41.7865 178.3747 41 E 4.0444 7.6787 115.9178 59.7921 29.2953 179.2410 42 K 4.3629 8.0337 117.8398 57.0542 32.4002 177.3134 43 F 4.5445 8.7794 119.0770 55.4535 40.0174 175.6530 44 D 4.3564 8.5566 124.0359 57.4435 40.5722 178.9043 45 K 3.7458 7.8657 118.5660 59.1000 32.1666 176.8502 46 F 4.9707 8.2208 114.1126 56.7024 41.2856 176.2150 47 K 4.1137 8.4228 121.4872 59.0726 32.4380 177.6110 48 H 4.4879 7.9468 113.8873 56.4971 29.1904 175.2320 49 L 4.2808 7.2741 121.7947 54.7182 41.5965 176.8600 50 K 4.4037 9.5509 122.9181 56.6565 33.3852 176.5032 51 S 4.6082 7.4777 111.8899 55.3003 66.4174 173.5990 52 E 3.8670 8.7807 125.4994 59.6588 29.0177 178.3743 53 D 4.4351 7.5509 116.1777 57.6625 41.6362 177.9264 54 E 4.1110 8.0293 118.2976 59.5127 29.0947 178.9813 55 M 3.9889 8.1179 118.8142 58.5295 31.9517 178.9767 56 K 3.7964 8.9588 116.6906 58.4597 32.2253 178.8054 57 A 4.3297 7.5626 120.6556 53.3817 18.4604 177.4918 58 S 4.0998 7.3350 112.7215 58.7820 62.9255 174.7757 59 E 4.1195 8.9090 128.4751 59.4769 29.4158 178.6347 60 D 4.6307 8.1054 117.8889 56.3437 41.1445 178.3161 61 L 3.7512 7.6725 120.8066 57.5966 42.0892 178.5523 62 K 3.9044 7.6838 118.3645 59.3943 31.9540 179.0323 63 K 4.0205 7.9607 118.5208 59.7670 32.0165 178.8621 64 H 4.3946 8.4734 118.6772 59.1406 29.7450 177.5615 65 G 3.5137 8.2026 107.6567 47.7864 0.0000 175.2775 66 N 4.3434 8.0186 119.3542 56.4821 38.9809 177.1322 67 T 3.9024 7.7185 117.0508 66.6042 68.6204 176.6153 68 V 3.6074 7.8289 120.0530 66.2468 31.3171 177.9019 69 L 4.3947 8.0294 117.3660 56.9100 40.9877 179.2735 70 T 4.1646 7.7740 116.4083 66.0030 68.8607 176.8464 71 A 4.0293 8.0898 122.7510 54.9435 18.4470 179.4184 72 L 3.8051 8.0204 118.9574 58.1314 42.1892 179.0623 73 G 3.8529 7.8743 105.5741 48.0038 0.0000 175.5085 74 G 3.6837 7.4247 106.2456 47.5542 0.0000 175.4158 75 I 3.9503 7.1401 120.9859 63.7837 37.1339 178.3131 76 L 4.0295 7.6062 119.8197 57.9014 41.1878 179.6799 77 K 4.0552 7.6322 116.6374 58.2935 32.2073 178.4985 78 K 4.0309 7.8917 118.0522 56.3562 32.2023 177.7635 79 K 2.0000 7.4311 118.4089 57.1371 29.4036 175.1449 80 G 3.9047 7.7488 110.2947 46.0386 0.0000 174.8174 81 H 4.6892 8.0378 120.5001 55.0527 27.3245 174.5277 82 H 5.3031 7.1955 110.9644 53.7408 29.9579 176.0488 83 E 3.9099 8.6143 122.2049 60.2910 28.8967 179.0287 84 A 4.0159 7.8832 119.0601 55.1317 18.5090 179.1592 85 E 4.0820 8.0688 116.6166 59.5200 29.8080 178.8509 86 L 4.0439 8.7354 119.3767 56.8609 42.3055 178.8404 87 T 3.8983 7.6305 115.9193 66.6772 68.5239 174.5322 88 P 4.3035 0.0000 0.0000 65.8878 31.1751 177.9413 89 L 4.0224 7.5909 119.6341 58.0243 41.8940 178.9333 90 A 4.3015 8.3184 120.6040 55.2304 18.2391 179.2773 91 Q 3.9883 8.1675 116.7887 59.0176 28.8324 178.7999 92 S 4.0331 8.2287 114.8077 62.2082 62.5840 176.1494 93 H 4.4489 8.8235 118.4497 56.8554 28.5675 177.2523 94 A 3.7792 7.6425 123.6310 54.4945 18.8003 179.4434 95 T 3.7677 8.0116 106.8588 65.3460 68.1290 176.3052 96 K 3.9693 7.8532 122.6227 57.7796 31.7474 178.4762 97 H 4.2803 7.6627 122.6067 57.3072 29.9566 176.0920 98 K 3.4705 6.7501 116.2160 55.9428 29.4709 176.4092 99 I 4.3480 9.0317 118.7558 59.0683 37.4016 175.0154 100 P 4.3920 0.0000 0.0000 62.5757 31.9655 178.4372 101 V 3.5598 8.2992 114.5300 64.2851 31.2416 178.7038 102 K 3.6666 8.0215 119.0077 59.9557 31.6946 178.1334 103 Y 4.2991 7.6760 116.9009 61.1211 38.0038 178.1053 104 L 4.1964 7.8802 119.4734 57.8146 41.7174 179.0424 105 E 4.0363 8.4175 119.6953 59.0457 29.5017 178.8849 106 F 4.6479 7.6078 118.0427 60.5335 38.9615 177.5108 107 I 3.8792 8.0598 118.3101 63.8318 37.7510 178.1566 108 S 4.1685 8.0995 116.0636 61.5182 62.6519 176.2142 109 E 3.9682 8.1749 121.3076 59.1510 29.4429 178.4667 110 A 4.2679 7.9501 122.1190 54.6815 18.4490 179.3814 111 I 3.6340 8.1185 118.4605 64.8587 37.2821 178.6310 112 I 3.7568 8.2618 120.6296 64.6355 36.7474 178.5761 113 Q 4.0371 8.5246 119.2332 58.8419 28.4659 179.0808 114 V 3.5229 7.8533 119.2061 65.9262 31.5520 178.0800 115 L 3.7091 7.6298 118.6954 57.5835 41.0936 179.1615 116 Q 4.1979 7.6204 118.1252 59.4875 29.1014 178.3643 117 S 4.2388 8.0503 114.7588 61.5742 62.9963 176.3749 118 K 4.1326 8.3739 119.4352 57.4539 33.4390 176.9883 119 H 5.0777 8.1386 115.2830 53.9909 28.9763 172.9843 120 P 4.4891 0.0000 0.0000 64.9733 31.9196 178.3595 121 G 3.7952 8.1198 107.3841 47.2511 0.0000 174.0661 122 D 4.9077 7.9785 117.0309 53.9698 42.0129 176.1415 123 F 4.8116 7.8138 119.5840 56.3645 39.4470 173.8157 124 G 3.8700 7.3736 109.7978 43.4450 0.0000 171.7751 125 A 3.9130 8.4497 120.6411 55.7708 18.0182 179.3705 126 D 4.1670 7.9185 116.3415 57.2853 41.0753 178.4231 127 A 3.9507 7.7328 120.3988 55.6503 18.4432 179.0023 128 Q 3.4334 7.8463 116.6989 59.0355 28.6386 179.3303 129 G 3.6439 8.0501 105.7355 48.1908 0.0000 174.6368 130 A 3.7973 7.8259 122.9047 55.3950 18.2731 179.0791 131 M 3.9249 8.2573 115.1692 59.0344 32.4528 178.7746 132 S 4.1543 8.2301 112.9484 61.0719 62.5109 176.1749 133 K 3.8269 8.3299 121.4159 59.5347 31.9530 179.1424 134 A 3.8751 7.9997 121.0879 55.0793 18.1897 179.6735 135 L 4.0723 7.8926 117.5729 57.7822 41.8014 179.1996 136 E 4.0307 8.7483 119.6282 58.7561 29.4082 178.7370 137 L 3.9248 7.9261 120.8104 57.9562 42.2167 178.3209 138 F 4.1101 8.1269 120.4664 61.5696 39.2188 177.2661 139 R 3.4289 7.9872 117.1890 59.2489 29.7623 178.6262 140 N 4.1639 7.9434 116.0837 56.6568 38.4280 177.2443 141 D 4.2813 8.2605 120.3646 57.2287 40.8431 178.3867 142 M 3.5944 7.5210 118.5051 58.6134 32.2055 178.2560 143 A 3.5597 8.0455 120.6359 54.8026 18.2780 179.4354 144 A 3.9655 7.5184 119.6070 54.9417 18.5061 179.7073 145 K 3.9915 7.7317 118.3558 59.4405 31.8506 178.5075 146 Y 4.4061 8.1641 117.2552 61.3295 37.6361 178.9066 147 K 3.9929 7.7412 117.1951 59.6418 32.3211 178.9245 148 E 4.1015 7.8749 117.9536 58.5974 29.6145 178.0543 149 L 4.3334 7.7292 117.7362 55.1787 42.0173 176.7436 150 G 4.0535 7.7655 108.0022 45.8755 0.0000 174.7003 151 F 4.1634 8.8882 121.5331 60.1226 39.4369 175.6154 152 Q 3.1316 7.6542 123.1496 55.7594 27.1549 176.4702 153 G 3.6532 8.2085 110.4067 45.5676 0.0000 171.2238 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 G 8.35 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 2 L 8.42 4.35 0.00 1.25 0.59 0.65 -0.72 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 3 S 9.88 4.53 0.00 4.02 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 4 D 8.71 4.89 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 5 G 7.99 3.61 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 6 E 7.87 3.84 0.00 2.07 1.72 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 2.22 2.27 0.00 7 W 8.43 4.30 0.00 3.47 3.33 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 8 Q 7.89 4.15 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 9 L 7.83 3.99 0.00 1.86 1.73 0.90 0.80 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 10 V 7.71 3.74 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 1.12 0.00 0.00 0.70 0.00 0.00 11 L 7.95 4.42 0.00 1.79 1.82 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.08 4.56 0.00 3.08 2.92 0.00 0.00 6.83 8.75 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 13 V 7.62 3.79 2.30 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 0.92 0.00 0.00 1.26 0.00 0.00 14 W 8.38 4.15 0.00 3.62 3.33 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 15 G 7.66 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 16 K 7.70 3.98 0.00 1.83 1.36 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.39 7.81 17 V 7.15 2.78 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 0.00 0.00 -0.08 0.00 0.00 0.25 0.00 0.00 18 E 7.40 4.00 0.00 2.07 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 0.00 2.23 2.31 0.00 19 A 7.40 4.22 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 20 D 7.52 4.64 0.00 2.64 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 21 V 7.70 3.48 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 1.08 0.00 0.00 0.89 0.00 0.00 22 A 8.04 4.06 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 23 G 8.10 3.50 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 0.00 24 H 8.14 4.13 0.00 3.22 3.20 0.00 5.84 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 25 G 8.15 3.67 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 0.00 0.00 0.00 26 Q 7.93 3.81 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 27 E 8.03 3.85 0.00 2.19 1.82 0.00 0.00 0.00 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 2.36 0.00 28 V 7.71 3.45 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 0.92 0.00 0.00 0.93 0.00 0.00 29 L 7.41 3.28 0.00 1.57 1.00 0.87 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.36 3.59 1.76 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 1.47 0.63 0.86 0.00 0.00 31 R 7.76 3.85 0.00 1.91 1.92 0.00 3.07 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.86 0.00 32 L 7.62 3.88 0.00 1.68 1.37 1.02 0.69 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 33 F 8.07 4.60 0.00 3.15 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 34 K 8.27 4.20 0.00 1.69 1.83 0.00 2.02 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.49 7.81 35 G 7.65 3.78 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 0.00 0.00 0.00 36 H 8.50 4.68 0.00 2.98 2.74 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.92 0.00 2.15 2.12 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 38 E 8.23 4.10 0.00 2.30 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 0.00 2.42 2.61 0.00 39 T 8.63 4.00 4.34 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 0.82 0.00 0.00 40 L 8.18 3.66 0.00 1.78 1.68 0.03 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.68 4.04 0.00 2.34 2.17 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 2.49 2.47 0.00 42 K 8.03 4.36 0.00 2.00 1.79 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.32 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.66 1.98 7.81 43 F 8.78 4.54 0.00 3.16 2.90 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 44 D 8.56 4.36 0.00 2.60 2.69 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 45 K 7.87 3.75 0.00 1.40 0.92 0.00 1.10 0.00 0.00 1.38 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.17 1.31 7.81 46 F 8.22 4.97 0.00 2.85 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 47 K 8.42 4.11 0.00 1.84 2.08 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.77 1.41 7.81 48 H 7.95 4.49 0.00 3.31 3.47 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.27 4.28 0.00 1.49 1.59 0.87 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.55 4.40 0.00 2.11 1.82 0.00 1.52 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.38 7.81 51 S 7.48 4.61 0.00 3.82 3.62 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 52 E 8.78 3.87 0.00 2.05 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 0.00 2.36 2.36 0.00 53 D 7.55 4.44 0.00 2.64 2.69 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 54 E 8.03 4.11 0.00 2.27 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 2.41 2.40 0.00 55 M 8.12 3.99 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 56 K 8.96 3.80 0.00 1.52 1.83 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.54 7.81 57 A 7.56 4.33 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 58 S 7.34 4.10 0.00 3.87 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.91 4.12 0.00 2.10 2.02 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 2.42 2.42 0.00 60 D 8.11 4.63 0.00 2.94 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 61 L 7.67 3.75 0.00 1.27 1.64 0.65 0.27 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 62 K 7.68 3.90 0.00 1.89 1.88 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 K 7.96 4.02 0.00 1.98 1.90 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.80 7.81 64 H 8.47 4.39 0.00 3.72 3.53 0.00 5.78 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 65 G 8.20 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 0.00 0.00 0.00 66 N 8.02 4.34 0.00 2.77 3.05 0.00 0.00 7.27 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 67 T 7.72 3.90 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 1.28 0.00 0.00 68 V 7.83 3.61 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 1.09 0.00 0.00 0.97 0.00 0.00 69 L 8.03 4.39 0.00 1.78 1.80 0.81 0.87 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 70 T 7.77 4.16 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 1.26 0.00 0.00 71 A 8.09 4.03 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 72 L 8.02 3.81 0.00 1.69 1.74 0.19 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.87 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 74 G 7.42 3.68 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 0.00 0.00 0.00 75 I 7.14 3.95 1.94 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 1.54 1.03 0.91 0.00 0.00 76 L 7.61 4.03 0.00 1.30 1.43 -0.15 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.63 4.06 0.00 1.72 1.81 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.44 1.55 7.81 78 K 7.89 4.03 0.00 2.01 1.73 0.00 1.50 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.54 1.63 7.81 79 K 7.43 2.00 0.00 1.03 0.74 0.00 1.37 0.00 0.00 1.23 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.30 0.75 7.81 80 G 7.75 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 81 H 8.04 4.69 0.00 2.99 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.20 5.30 0.00 3.26 3.41 0.00 5.66 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.61 3.91 0.00 2.02 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 2.42 2.35 0.00 84 A 7.88 4.02 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 85 E 8.07 4.08 0.00 2.27 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 2.41 2.44 0.00 86 L 8.74 4.04 0.00 1.75 1.82 0.74 0.93 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 87 T 7.63 3.90 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 1.27 0.00 0.00 88 P 0.00 4.30 0.00 2.31 2.35 0.00 3.75 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 2.20 2.06 0.00 89 L 7.59 4.02 0.00 1.66 1.92 1.02 1.13 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 90 A 8.32 4.30 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.17 3.99 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 92 S 8.23 4.03 0.00 4.04 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 0.00 93 H 8.82 4.45 0.00 3.60 3.68 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 94 A 7.64 3.78 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 95 T 8.01 3.77 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 1.15 0.00 0.00 96 K 7.85 3.97 0.00 1.63 1.26 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.41 7.81 97 H 7.66 4.28 0.00 3.09 3.22 0.00 5.80 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.75 3.47 0.00 1.78 1.45 0.00 1.55 0.00 0.00 1.38 0.00 0.00 2.56 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.09 1.29 7.81 99 I 9.03 4.35 2.21 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.01 1.26 0.00 0.00 100 P 0.00 4.39 0.00 1.46 1.69 0.00 3.15 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.08 0.00 101 V 8.30 3.56 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 0.68 0.00 0.00 0.79 0.00 0.00 102 K 8.02 3.67 0.00 1.64 1.63 0.00 1.78 0.00 0.00 2.14 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.01 1.47 7.81 103 Y 7.68 4.30 0.00 3.27 3.18 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 0.00 104 L 7.88 4.20 0.00 1.87 1.80 0.64 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.42 4.04 0.00 1.93 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 2.28 2.34 0.00 106 F 7.61 4.65 0.00 3.26 2.90 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 0.00 107 I 8.06 3.88 2.02 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 1.58 1.47 1.15 0.00 0.00 108 S 8.10 4.17 0.00 4.23 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 0.00 109 E 8.17 3.97 0.00 2.14 2.37 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 2.40 2.41 0.00 110 A 7.95 4.27 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 0.00 111 I 8.12 3.63 2.04 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 1.58 0.74 1.01 0.00 0.00 112 I 8.26 3.76 1.96 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 1.75 1.00 1.12 0.00 0.00 113 Q 8.52 4.04 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 114 V 7.85 3.52 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 0.93 0.00 0.00 0.89 0.00 0.00 115 L 7.63 3.71 0.00 0.94 0.30 0.67 0.71 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 0.00 116 Q 7.62 4.20 0.00 2.31 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 117 S 8.05 4.24 0.00 3.96 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 0.00 118 K 8.37 4.13 0.00 1.11 1.50 0.00 1.31 0.00 0.00 1.33 0.00 0.00 2.83 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.26 1.55 7.81 119 H 8.14 5.08 0.00 3.18 3.17 0.00 5.62 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 0.00 120 P 0.00 4.49 0.00 2.21 2.33 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 121 G 8.12 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 0.00 122 D 7.98 4.91 0.00 2.68 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 0.00 123 F 7.81 4.81 0.00 3.03 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 0.00 124 G 7.37 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 0.00 0.00 0.00 125 A 8.45 3.91 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 0.00 126 D 7.92 4.17 0.00 2.66 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 0.00 127 A 7.73 3.95 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 0.00 128 Q 7.85 3.43 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 1.94 1.26 0.00 129 G 8.05 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 0.00 130 A 7.83 3.80 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 0.00 131 M 8.26 3.92 0.00 2.46 2.42 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.87 0.00 132 S 8.23 4.15 0.00 3.96 3.98 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 0.00 133 K 8.33 3.83 0.00 1.91 1.65 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.39 7.81 134 A 8.00 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.89 4.07 0.00 1.77 1.79 0.98 0.71 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 0.00 136 E 8.75 4.03 0.00 2.09 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 2.45 2.30 0.00 137 L 7.93 3.92 0.00 1.86 1.96 1.03 1.08 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 0.00 138 F 8.13 4.11 0.00 3.10 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 0.00 139 R 7.99 3.43 0.00 2.04 1.84 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.95 0.00 140 N 7.94 4.16 0.00 2.92 2.83 0.00 0.00 7.11 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.26 4.28 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 0.00 142 M 7.52 3.59 0.00 1.61 1.38 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.99 0.00 143 A 8.05 3.56 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.52 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 0.00 145 K 7.73 3.99 0.00 2.00 1.90 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.51 7.81 146 Y 8.16 4.41 0.00 3.11 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 0.00 147 K 7.74 3.99 0.00 1.82 1.88 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.24 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.49 7.81 148 E 7.87 4.10 0.00 1.93 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 0.00 2.35 2.36 0.00 149 L 7.73 4.33 0.00 2.10 1.74 1.05 0.94 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 0.00 150 G 7.77 4.05 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 0.00 0.00 0.00 151 F 8.89 4.16 0.00 2.71 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 0.00 152 Q 7.65 3.13 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 1.97 1.30 0.00 153 G 8.21 3.65 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 0.00 0.00 0.00