NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3199 8.3149 120.1363 56.0569 34.3266 175.8813 3 T 4.3381 7.6489 115.8873 62.5563 69.1455 173.0595 4 R 4.2034 9.8591 127.5678 58.5583 31.4840 177.0414 5 I 4.4582 7.2529 115.7319 58.6424 40.9690 175.8754 6 N 4.3831 8.3916 123.3043 52.8683 37.8183 174.9156 7 Y 3.9858 7.6049 125.8454 59.4816 38.1187 177.7243 8 A 3.6751 6.9755 122.0652 54.4619 18.0877 179.4340 9 K 3.9179 7.4192 114.9719 59.0921 32.4713 179.0087 10 A 4.2929 7.8747 120.2718 53.9336 19.5564 177.7797 11 S 4.5317 8.0324 112.0208 54.7400 63.2123 172.0460 12 P 4.6385 0.0000 0.0000 64.4819 31.3880 177.5461 13 E 4.0174 8.2707 115.5951 59.3082 29.6654 178.9451 14 A 3.9838 7.8080 120.3524 54.8039 18.4372 179.1427 15 F 4.3179 8.3844 119.2519 61.8057 39.4345 177.6059 16 K 3.8178 8.6512 117.9371 59.1801 31.6354 179.2700 17 A 3.9305 8.0446 121.3109 55.0979 18.3176 179.8816 18 V 3.2426 7.4937 116.3968 66.1905 31.4829 177.9315 19 M 4.2796 8.0738 117.8691 58.5038 31.9853 178.0501 20 A 4.0308 8.2051 121.2953 54.9819 18.5450 179.3364 21 L 3.9676 7.6747 119.0028 58.2053 42.1620 178.5999 22 E 4.1200 8.3966 119.2687 59.7586 29.3915 178.6846 23 N 4.3941 8.5210 115.4135 56.2484 38.7586 176.5321 24 Y 4.1922 8.2013 121.0298 60.6434 38.9744 178.0183 25 V 3.3305 7.9236 119.1285 66.3953 31.3578 177.9307 26 Q 4.0439 7.9687 115.9255 58.5418 28.3554 178.1989 27 S 4.6108 7.4115 113.7460 58.2251 62.9279 176.2064 28 S 3.7947 7.4644 118.3883 59.6668 62.8374 175.4137 29 G 4.0453 7.3864 108.5882 45.0675 0.0000 174.1362 30 L 4.1839 7.1051 119.1874 54.3675 42.3774 176.9751 31 E 3.8806 8.8914 121.6559 57.0164 30.1263 177.9664 32 H 4.1470 8.6678 120.3528 58.9580 28.7150 177.7132 33 R 3.8450 7.8152 119.9821 59.6887 29.6859 178.4409 34 F 4.8010 7.8358 117.3786 60.5250 38.9147 177.8614 35 I 3.7520 7.8419 119.0836 64.7582 36.9284 177.8491 36 H 4.3194 8.6105 117.4213 58.9081 28.4911 177.5852 37 L 4.0266 8.4433 121.9729 58.2705 41.9860 179.0109 38 I 3.6501 8.0756 119.9024 64.3656 37.0992 178.6780 39 K 3.9368 8.1955 119.2030 59.2488 31.8950 179.2544 40 L 3.9551 8.2501 120.9299 58.1663 42.1141 178.9420 41 R 3.7841 8.1417 118.5729 59.4086 30.0415 178.2513 42 A 4.0030 7.9302 120.5423 55.3998 18.2797 179.8218 43 S 4.2831 8.1324 113.5531 61.5988 62.8316 177.0329 44 I 3.7075 7.8562 122.5708 64.5048 36.6969 178.2729 45 I 3.7199 7.5161 119.0798 64.5831 37.1188 177.5175 46 N 4.7020 8.1707 113.6718 52.9326 38.5869 175.8056 47 G 3.8018 7.7236 108.4937 46.8541 0.0000 174.7038 48 C 4.4440 8.1715 121.6129 57.5979 30.8280 173.4246 49 A 4.0219 8.3877 129.9898 54.6627 18.0918 178.4756 50 F 4.0728 8.4279 118.7651 62.0013 39.3737 177.1023 51 C 4.0824 8.2619 115.6097 62.4288 28.0530 175.9859 52 V 3.5942 8.1164 120.2719 65.9918 31.2484 177.4308 53 D 4.1749 8.1776 117.9526 57.5580 40.9681 177.9567 54 M 3.8010 7.3697 118.5499 59.0633 32.1980 177.8770 55 H 4.5711 8.3561 116.3058 58.1969 28.9237 177.9713 56 V 3.6504 8.1710 120.9365 66.0400 31.4054 178.2363 57 K 3.9918 7.8743 117.7669 59.5036 31.7585 179.3002 58 E 3.9808 8.3696 118.9548 59.3978 29.4343 179.5505 59 S 3.7405 8.2001 115.3193 61.4179 62.9125 176.7379 60 R 3.8274 8.0605 121.3553 59.7417 29.6435 177.9903 61 H 4.1234 8.1023 116.7721 58.9670 29.8223 175.8807 62 D 4.6797 7.5029 118.0304 53.8014 40.8181 177.1908 63 G 3.8340 7.7957 107.6221 45.2877 0.0000 174.1649 64 L 3.7724 7.2018 119.6205 53.8829 42.2445 178.0289 65 S 4.3763 8.2555 117.4758 58.2729 65.1688 175.3452 66 E 4.0916 8.7242 122.4075 59.6236 29.1270 179.7567 67 Q 4.0064 8.0849 117.7512 58.7133 28.6872 178.1194 68 W 4.1326 8.0873 128.0331 60.6721 30.5503 177.8529 69 I 4.1405 8.2867 119.4759 64.8161 36.4875 178.3342 70 N 4.4892 8.6733 116.0595 55.7733 38.6564 176.6660 71 L 4.4399 8.3243 118.8697 55.5090 41.7910 178.3081 72 M 4.0537 7.9400 120.2126 57.8396 32.2104 177.7998 73 S 4.4295 8.0945 112.9035 60.2515 63.6286 174.4765 74 V 4.5480 8.0935 117.3804 60.3594 32.9334 177.6331 75 W 4.4143 8.4298 119.1785 59.4057 28.3565 178.0026 76 R 2.7868 6.7779 118.2894 58.3329 29.3524 176.5446 77 E 4.4060 7.6111 114.5723 55.8154 29.7829 175.1254 78 S 4.7391 7.8600 115.0409 55.9355 63.5945 172.1375 79 P 4.5978 0.0000 0.0000 63.4155 31.4856 177.2188 80 V 3.5543 7.4436 119.7806 66.0805 31.7100 176.1156 81 Y 4.7317 7.4031 117.0693 57.3304 38.8484 175.2829 82 T 4.3503 9.2533 115.0298 61.3499 71.1216 175.6410 83 E 4.0105 8.7335 120.7897 59.6616 29.4265 179.5094 84 Q 3.4343 7.9537 119.0392 59.0183 29.2332 177.8160 85 E 4.0175 8.4552 119.6860 59.6017 29.4667 179.6158 86 R 3.7145 8.4838 118.2145 58.9125 29.9801 178.9214 87 A 3.9779 8.0420 120.6259 55.0310 18.3395 179.3720 88 L 3.7879 7.8891 118.7049 58.3509 42.0919 179.1373 89 L 3.5319 7.8902 119.3220 57.4527 41.2490 179.6356 90 G 3.9004 7.8794 105.7429 47.7015 0.0000 175.5525 91 W 4.3305 8.0270 130.7612 60.1881 30.6990 178.1143 92 V 3.4507 8.0793 118.6451 66.1698 30.8755 177.7152 93 D 4.3091 8.3863 118.4397 57.4192 40.5183 178.6980 94 A 3.9182 7.7168 119.7767 55.1202 18.4310 179.5221 95 V 3.3394 7.4062 116.0442 65.9620 31.5957 178.0132 96 T 3.9287 7.7970 114.9993 65.6955 69.1186 175.9049 97 K 4.5030 7.8785 120.7368 55.8203 32.2288 178.4203 98 I 3.6417 7.6277 120.7525 64.3116 37.9342 176.1637 99 A 3.9453 7.8371 120.2534 54.6773 18.2819 178.8883 100 E 4.1379 7.9833 116.2232 59.1959 30.0998 178.3089 101 T 4.2754 7.8939 108.0480 61.5420 69.5236 175.9303 102 G 3.7041 8.3517 107.4099 45.0256 0.0000 173.3421 103 A 3.5901 7.9152 121.8150 51.8667 15.9062 176.5578 104 P 4.5448 0.0000 0.0000 61.5748 33.9196 176.3861 105 D 4.5521 8.8340 120.2701 58.0265 40.7726 179.1794 106 D 4.4111 8.2120 118.3374 57.4146 40.9684 178.5649 107 A 4.1756 8.1621 120.7951 55.1463 18.4178 179.3353 108 F 3.5749 8.5541 119.2831 61.2043 39.6134 176.9679 109 E 3.7741 8.6961 119.4230 59.6423 29.2039 178.9793 110 T 3.8827 7.7046 114.7145 66.3716 68.7705 176.1593 111 L 4.0709 7.6680 122.2101 58.2701 41.7499 179.2919 112 R 3.6705 7.7492 117.9325 58.9329 29.6007 178.8357 113 A 4.0533 7.5954 119.4903 54.5104 18.3562 177.7462 114 H 4.4645 7.9450 112.1676 55.5502 30.7023 174.6101 115 F 5.0140 7.2369 117.3316 54.5780 42.4916 175.4467 116 S 4.4377 9.0235 119.2427 58.0885 64.9783 175.3266 117 D 4.3303 8.5510 122.0859 57.4013 40.5200 178.5815 118 E 3.9521 8.2064 119.3731 59.5000 29.6924 178.6642 119 E 4.0362 8.3006 118.5195 59.4997 29.4355 179.4389 120 I 3.6282 7.9500 120.1098 64.0650 37.0700 178.6966 121 V 3.6339 8.0582 119.2991 65.9437 31.3329 178.1693 122 K 4.0864 8.0597 118.2153 59.6371 31.8462 179.2596 123 I 3.6686 8.1693 120.2936 64.9011 36.9861 178.7186 124 T 4.0498 8.3347 116.6927 66.4286 68.2583 177.1628 125 V 3.5955 8.4355 120.5528 65.9277 31.5842 177.8408 126 A 4.0765 8.3895 120.7849 55.3753 18.2283 179.6737 127 I 3.7763 8.1767 118.5830 64.3538 37.1568 178.8850 128 G 3.5751 8.2609 106.4413 47.7063 0.0000 175.5094 129 A 3.9168 8.3611 123.9439 54.9697 18.4527 179.6476 130 I 3.9842 8.0092 117.0882 64.2688 38.0041 177.7650 131 N 4.5116 8.3640 117.4703 56.4156 38.2079 177.6178 132 T 3.7414 7.8127 117.2015 66.3938 68.6060 176.8091 133 W 4.4653 8.0490 120.8203 60.0755 29.0231 178.2848 134 N 4.5218 8.8956 116.7377 56.4902 37.9293 177.7257 135 R 3.8287 7.8427 119.1049 59.0888 30.1149 179.2206 136 I 3.1170 7.8315 119.4650 64.0893 37.0281 178.4441 137 A 3.9357 8.3211 123.2691 54.5761 18.2577 179.9300 138 V 3.6130 8.1057 117.2430 66.1075 31.4253 178.3447 139 G 3.4386 7.7835 104.3058 47.0663 0.0000 174.5938 140 F 5.1418 7.8916 117.2977 55.8781 39.7586 175.9588 141 R 4.0225 8.1099 117.2564 57.0451 28.3894 176.6972 142 S 4.1968 8.2429 113.3193 58.8201 63.5805 174.0294 143 Q 4.5961 8.5101 123.3511 54.1778 30.1898 175.5362 144 H 4.6085 8.7454 118.6890 54.2907 29.6319 173.4236 145 P 4.4076 0.0000 0.0000 62.6190 31.9057 176.9620 146 V 3.9953 8.2302 120.0750 63.0552 31.5378 175.3755 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 2 K 8.31 4.32 0.00 1.89 1.96 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.48 7.81 3 T 7.65 4.34 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 1.25 0.00 0.00 4 R 9.86 4.20 0.00 2.07 2.07 0.00 3.37 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 5 I 7.25 4.46 1.11 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.43 0.63 0.00 0.00 6 N 8.39 4.38 0.00 2.62 2.58 0.00 0.00 6.97 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 7 Y 7.60 3.99 0.00 3.32 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 8 A 6.98 3.68 0.36 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 9 K 7.42 3.92 0.00 1.78 1.79 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.48 7.81 10 A 7.87 4.29 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.03 4.53 0.00 3.87 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.64 0.00 2.26 2.17 0.00 3.96 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 13 E 8.27 4.02 0.00 2.19 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 0.00 2.40 2.35 0.00 14 A 7.81 3.98 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 15 F 8.38 4.32 0.00 3.39 3.45 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 0.00 16 K 8.65 3.82 0.00 2.02 1.87 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.86 7.81 17 A 8.04 3.93 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 18 V 7.49 3.24 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 -0.68 0.00 0.00 0.67 0.00 0.00 19 M 8.07 4.28 0.00 2.12 1.65 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.59 0.00 20 A 8.21 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.67 3.97 0.00 1.68 1.80 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.40 4.12 0.00 2.67 2.43 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 2.50 2.55 0.00 23 N 8.52 4.39 0.00 2.90 2.92 0.00 0.00 7.04 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.20 4.19 0.00 3.18 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 25 V 7.92 3.33 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 1.00 0.00 0.00 1.13 0.00 0.00 26 Q 7.97 4.04 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 27 S 7.41 4.61 0.00 3.76 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 28 S 7.46 3.79 0.00 3.76 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 29 G 7.39 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 30 L 7.11 4.18 0.00 1.68 1.72 0.94 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 31 E 8.89 3.88 0.00 1.53 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 2.28 2.35 0.00 32 H 8.67 4.15 0.00 3.08 3.19 0.00 5.64 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 7.82 3.84 0.00 1.62 1.46 0.00 2.97 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.44 0.00 34 F 7.84 4.80 0.00 3.32 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 35 I 7.84 3.75 1.99 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 1.67 0.84 0.92 0.00 0.00 36 H 8.61 4.32 0.00 3.50 3.59 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.44 4.03 0.00 2.33 2.09 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.08 3.65 2.04 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 1.50 0.49 0.92 0.00 0.00 39 K 8.20 3.94 0.00 1.67 1.39 0.00 1.60 0.00 0.00 1.39 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.59 7.81 40 L 8.25 3.96 0.00 1.89 1.78 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.14 3.78 0.00 1.72 1.85 0.00 3.21 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.62 0.00 42 A 7.93 4.00 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 43 S 8.13 4.28 0.00 4.13 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 44 I 7.86 3.71 2.04 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 0.73 0.94 0.00 0.00 45 I 7.52 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 0.65 0.91 0.00 0.00 46 N 8.17 4.70 0.00 2.80 2.87 0.00 0.00 7.11 7.23 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 47 G 7.72 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 C 8.17 4.44 0.00 3.06 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 49 A 8.39 4.02 1.44 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 50 F 8.43 4.07 0.00 3.40 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 51 C 8.26 4.08 0.00 3.15 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 52 V 8.12 3.59 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 1.07 0.00 0.00 1.02 0.00 0.00 53 D 8.18 4.17 0.00 2.46 2.50 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 54 M 7.37 3.80 0.00 1.77 1.59 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 55 H 8.36 4.57 0.00 3.29 3.38 0.00 5.68 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.17 3.65 2.28 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 1.05 0.00 0.00 1.04 0.00 0.00 57 K 7.87 3.99 0.00 1.97 1.80 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.54 7.81 58 E 8.37 3.98 0.00 2.06 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 2.31 2.48 0.00 59 S 8.20 3.74 0.00 4.12 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 60 R 8.06 3.83 0.00 1.97 2.08 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 61 H 8.10 4.12 0.00 3.20 3.46 0.00 5.99 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.50 4.68 0.00 2.53 2.61 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 63 G 7.80 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 0.00 0.00 0.00 64 L 7.20 3.77 0.00 1.44 0.85 0.07 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.26 4.38 0.00 4.07 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 66 E 8.72 4.09 0.00 2.04 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 2.42 2.37 0.00 67 Q 8.08 4.01 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 68 W 8.09 4.13 0.00 3.26 3.44 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 69 I 8.29 4.14 2.16 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 1.87 1.26 1.02 0.00 0.00 70 N 8.67 4.49 0.00 2.79 2.93 0.00 0.00 7.15 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.32 4.44 0.00 1.90 1.89 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 72 M 7.94 4.05 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.22 0.00 73 S 8.09 4.43 0.00 4.09 4.02 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 0.00 0.00 0.00 74 V 8.09 4.55 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.97 0.00 0.00 75 W 8.43 4.41 0.00 3.12 3.02 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 0.00 0.00 0.00 76 R 6.78 2.79 0.00 0.67 1.50 0.00 2.89 0.00 0.00 2.99 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.80 0.00 77 E 7.61 4.41 0.00 1.87 1.91 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 2.14 2.30 0.00 78 S 7.86 4.74 0.00 3.95 4.14 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 79 P 0.00 4.60 0.00 2.23 2.16 0.00 3.83 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 1.98 1.95 0.00 80 V 7.44 3.55 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 0.29 0.00 0.00 0.80 0.00 0.00 81 Y 7.40 4.73 0.00 3.26 2.93 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 82 T 9.25 4.35 4.33 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 1.34 0.00 0.00 83 E 8.73 4.01 0.00 2.05 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 2.46 2.37 0.00 84 Q 7.95 3.43 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.15 1.88 0.00 85 E 8.46 4.02 0.00 2.51 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 0.00 2.78 2.73 0.00 86 R 8.48 3.71 0.00 2.08 2.23 0.00 3.35 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 87 A 8.04 3.98 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 88 L 7.89 3.79 0.00 1.62 1.67 0.63 0.25 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 89 L 7.89 3.53 0.00 0.27 0.13 -0.21 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.88 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 91 W 8.03 4.33 0.00 3.26 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 92 V 8.08 3.45 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 0.97 0.00 0.00 0.91 0.00 0.00 93 D 8.39 4.31 0.00 3.08 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 94 A 7.72 3.92 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 95 V 7.41 3.34 1.61 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 0.59 0.00 0.00 -0.67 0.00 0.00 96 T 7.80 3.93 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 97 K 7.88 4.50 0.00 1.85 1.75 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.50 7.81 98 I 7.63 3.64 1.95 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.36 0.84 0.00 0.00 99 A 7.84 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 0.00 100 E 7.98 4.14 0.00 2.07 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 0.00 2.27 2.40 0.00 101 T 7.89 4.28 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 102 G 8.35 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.92 3.59 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.54 0.00 2.28 2.05 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.36 0.00 105 D 8.83 4.55 0.00 2.75 2.82 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 0.00 106 D 8.21 4.41 0.00 2.77 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 0.00 107 A 8.16 4.18 1.68 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 0.00 108 F 8.55 3.57 0.00 3.25 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.70 3.77 0.00 2.15 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 0.00 2.28 2.33 0.00 110 T 7.70 3.88 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 111 L 7.67 4.07 0.00 1.59 1.19 0.69 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.75 3.67 0.00 1.65 1.72 0.00 3.06 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.27 0.00 113 A 7.60 4.05 1.14 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 0.00 0.00 114 H 7.94 4.46 0.00 2.70 2.56 0.00 5.60 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 0.00 115 F 7.24 5.01 0.00 2.93 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 9.02 4.44 0.00 4.07 4.02 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 0.00 0.00 0.00 117 D 8.55 4.33 0.00 2.73 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 0.00 118 E 8.21 3.95 0.00 2.06 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 0.00 2.43 2.45 0.00 119 E 8.30 4.04 0.00 2.37 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 2.45 2.44 0.00 120 I 7.95 3.63 1.96 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.74 0.80 0.00 0.00 121 V 8.06 3.63 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 1.06 0.00 0.00 1.04 0.00 0.00 122 K 8.06 4.09 0.00 2.05 1.90 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.66 1.77 7.81 123 I 8.17 3.67 1.88 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.49 0.91 0.00 0.00 124 T 8.33 4.05 4.40 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 1.34 0.00 0.00 125 V 8.44 3.60 2.33 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 1.18 0.00 0.00 1.02 0.00 0.00 126 A 8.39 4.08 1.45 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 0.00 0.00 0.00 127 I 8.18 3.78 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.06 0.81 0.00 0.00 128 G 8.26 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 0.00 129 A 8.36 3.92 1.44 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 0.00 130 I 8.01 3.98 1.98 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.16 1.05 0.00 0.00 131 N 8.36 4.51 0.00 3.03 2.82 0.00 0.00 6.99 6.46 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 0.00 132 T 7.81 3.74 4.11 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 0.86 0.00 0.00 133 W 8.05 4.47 0.00 3.58 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.90 4.52 0.00 2.87 2.91 0.00 0.00 7.06 7.64 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 0.00 135 R 7.84 3.83 0.00 1.94 1.83 0.00 3.18 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 136 I 7.83 3.12 1.95 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.59 0.29 0.00 0.00 137 A 8.32 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 0.00 138 V 8.11 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 0.99 0.00 0.00 0.99 0.00 0.00 139 G 7.78 3.44 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 0.00 140 F 7.89 5.14 0.00 3.21 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 0.00 141 R 8.11 4.02 0.00 2.11 2.07 0.00 3.33 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 142 S 8.24 4.20 0.00 3.28 2.89 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 0.00 143 Q 8.51 4.60 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.05 0.00 0.00 0.00 0.00 0.00 2.43 2.28 0.00 144 H 8.75 4.61 0.00 3.20 3.22 0.00 5.72 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 0.00 145 P 0.00 4.41 0.00 2.06 2.02 0.00 3.79 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 146 V 8.23 4.00 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 0.80 0.00 0.00 0.92 0.00 0.00