NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1D H 4.7343 8.4449 116.2993 55.0864 30.5821 172.9684 1E H 4.8352 8.0136 115.5149 51.2138 32.9231 171.1154 1F H 4.6231 9.0826 116.9975 56.0646 29.7437 174.1011 1G F 4.7694 8.4463 119.3701 57.8183 39.9956 174.1902 2 N 4.6052 8.5201 117.2852 52.4134 38.8124 174.4687 3 L 4.8117 8.0343 123.3161 51.8231 44.2333 174.7108 4 P 4.4824 0.0000 0.0000 61.8843 31.9853 175.0683 5 P 4.2721 0.0000 0.0000 64.9109 31.6233 176.8319 6 G 3.7180 7.8203 107.9208 45.2823 0.0000 171.2968 7 N 4.5047 8.1028 116.1955 51.1565 39.9864 173.8532 8 Y 4.8371 7.8381 112.5593 57.9281 38.4370 177.2930 9 K 4.0640 8.8164 121.6945 59.2632 32.1827 177.5074 10 K 4.5724 7.6284 115.5552 53.7502 34.1893 174.1026 11 P 4.7677 0.0000 0.0000 63.1273 32.6780 174.8271 12 K 4.8229 9.3357 118.8020 55.4601 37.5164 174.8889 13 L 5.1043 9.0740 121.3610 53.3454 44.2982 176.4036 14 L 4.8691 8.6319 123.7937 53.6091 42.4959 174.2763 15 Y 4.6242 9.1535 126.5865 57.1227 40.2477 173.5691 16 C 4.1330 8.7289 128.8380 57.8359 32.0856 174.3748 17 S 3.6888 8.1251 122.2922 61.0694 62.6327 175.2577 18 N 4.0975 8.0717 118.8429 56.1814 38.5754 175.2542 19 G 3.9047 7.5171 102.6925 44.6138 0.0000 172.7623 20 G 3.3759 7.7732 107.0692 46.2244 0.0000 173.2773 21 H 4.7824 7.3881 115.4381 53.9457 31.4383 174.0191 22 F 5.1901 8.8702 120.7592 55.8759 40.9612 175.2493 23 L 4.4288 9.1026 126.3377 55.4335 43.1442 175.5953 24 R 4.9281 9.8169 127.1558 54.5679 33.5339 173.9670 25 I 4.8340 8.2420 126.4855 59.5332 39.0461 175.7224 26 L 4.1721 9.1065 128.0426 53.1567 42.5749 176.5360 27 P 4.1575 0.0000 0.0000 66.0370 31.2170 177.3827 28 D 4.5487 7.9767 113.8095 53.5493 39.4803 177.1105 29 G 4.1035 8.4204 109.6084 45.4713 0.0000 174.0294 30 T 4.2565 8.4716 118.1143 63.3576 69.0104 173.4248 31 V 4.8460 8.1488 125.3320 61.1421 34.0044 174.3079 32 D 4.5859 8.8544 126.5827 53.0107 42.6608 174.0593 33 G 4.9572 8.7269 104.6942 45.2754 0.0000 172.1971 34 T 5.0147 8.4471 115.1691 60.4583 71.0075 174.5357 35 R 4.4489 8.8160 123.7483 57.1081 30.9883 176.2806 36 D 4.5195 8.3440 118.6986 54.0307 40.6766 176.8918 37 R 3.7259 8.5802 126.7352 58.1666 30.3159 177.7967 38 S 4.3730 8.8290 111.6639 58.3045 63.5964 174.0925 39 D 4.3563 7.5554 121.9265 55.0556 41.2618 175.6610 40 Q 4.5404 8.4160 123.3098 55.7339 29.1290 175.5815 41 H 4.9983 9.3841 116.5343 55.6006 29.4970 174.9325 42 I 4.6434 7.6631 110.7401 59.7173 38.5767 175.1016 43 Q 4.2031 7.9231 121.7300 55.9028 29.6981 174.6987 44 L 5.0163 9.0790 125.2186 52.8137 45.0778 175.5029 45 Q 4.7470 9.3320 126.0573 54.7510 30.2011 174.3165 46 L 5.1325 8.5471 126.9758 53.8877 43.3835 176.3436 47 S 4.6247 8.6627 115.4707 56.6015 66.8843 172.6992 48 A 4.6744 8.3814 122.7232 51.2973 20.2235 175.4056 49 E 4.2427 8.6988 119.9339 56.2258 29.7886 179.9907 50 G 3.9180 6.8147 112.1455 44.2251 0.0000 172.5542 51 G 3.9419 8.6027 108.7175 46.7838 0.0000 174.0689 52 G 3.8640 9.0824 111.4193 45.8418 0.0000 172.1657 53 E 5.2109 7.8851 118.9393 54.7149 32.3343 175.5163 54 V 4.8264 8.6839 114.9049 60.1344 36.9994 173.6109 55 Y 5.2618 8.7836 119.5265 56.4279 41.2348 175.2280 56 I 4.6558 8.6705 123.0857 59.6095 40.0501 174.1324 57 K 4.6401 8.7028 129.0141 54.1184 35.1885 174.9968 58 S 4.4894 8.6557 122.7949 58.2340 62.5928 174.8824 59 T 3.8138 8.3959 118.7098 64.7849 68.7407 175.9333 60 E 4.0473 8.3931 122.4610 58.5367 29.8214 177.1251 61 T 4.3459 7.6144 105.8444 60.6164 70.2723 175.2944 62 G 3.8009 8.3132 110.3204 45.3337 0.0000 173.7436 63 Q 4.4494 7.5003 119.1471 55.9871 30.2469 174.5668 64 Y 4.7820 8.9236 119.2582 55.8645 40.9320 175.2287 65 L 4.3915 8.9211 125.7876 55.3735 43.4199 175.6094 66 A 5.0407 8.7414 125.9470 50.6712 23.2414 174.3641 67 M 5.3309 8.6826 119.2984 53.8952 34.9597 175.5945 68 D 5.2574 9.6216 126.1220 51.5589 41.2599 177.1388 69 T 4.3274 8.5409 108.5341 64.1743 68.5970 174.4750 70 D 4.6474 8.4353 120.4778 53.9667 41.3272 177.0022 71 G 3.2502 8.7348 108.6363 45.1855 0.0000 173.0526 72 L 4.7208 7.9112 119.9262 53.0684 43.0173 176.2373 73 L 5.0488 8.3236 122.6198 55.2823 42.7936 175.6351 74 Y 4.8580 8.6840 117.9555 56.2105 41.7375 173.3699 75 G 4.1732 9.1210 109.7108 45.8240 0.0000 173.0898 76 S 5.0271 9.4204 122.0469 56.8946 63.8797 175.3458 77 Q 4.4074 9.0036 125.2144 58.2763 28.9385 176.3130 78 T 4.6095 7.5822 105.9672 58.8630 71.8127 171.8153 79 P 3.9052 0.0000 0.0000 61.4190 31.3845 174.2930 80 N 5.1108 7.9804 122.4456 50.8413 40.0953 174.2516 81 E 3.8787 8.8431 114.5889 59.7628 29.6034 177.6178 82 E 4.1169 8.9118 118.2949 57.7038 29.7501 177.3743 83 C 5.0289 7.8317 115.0468 58.7504 29.2855 173.4161 84 L 4.4235 7.2965 121.1386 53.7553 42.8689 175.6970 85 F 5.2504 8.8426 121.2352 55.5802 43.6813 174.3453 86 L 4.7199 9.1963 122.7728 53.8526 42.5024 175.5211 87 E 4.5161 8.6995 126.8001 55.3835 30.3000 175.8363 88 R 4.8097 8.5584 125.1813 54.1368 34.8807 174.5578 89 L 4.7448 8.5845 123.6733 55.1897 43.1797 175.7577 90 E 4.7116 8.9775 124.0633 55.2927 33.6489 174.8257 91 E 4.0007 9.7611 123.3466 57.6326 27.3249 174.2168 92 N 4.3093 8.4524 110.7710 54.0899 36.5105 174.0005 93 H 4.8270 8.4611 116.9812 57.5106 37.6146 173.4220 94 Y 4.6204 7.7012 116.1357 57.3783 40.2555 173.7512 95 N 5.5608 9.4958 118.5395 51.9015 41.1343 174.5458 96 T 5.2636 8.9854 113.1960 60.0980 72.9947 172.7199 97 Y 4.9883 8.5924 118.9559 56.5945 41.4735 174.2321 98 I 4.5892 8.5360 126.1006 59.2422 39.4551 175.5093 99 S 4.0303 8.8687 122.3197 58.6368 62.3223 174.0305 100 K 3.9573 8.6366 129.2712 59.3428 32.2192 178.8454 101 K 3.8560 7.8363 118.2747 58.8458 32.3444 176.6601 102 H 4.6012 7.9065 115.0980 54.9991 29.5139 175.7923 103 A 3.9173 7.6158 125.6749 55.4992 18.2071 180.8618 104 E 4.0313 8.0161 113.5302 58.6016 29.6037 177.7105 105 K 4.1868 7.6558 116.4578 55.2141 32.7660 175.7398 106 N 3.8738 7.6280 115.5235 53.9360 36.4756 174.8517 107 W 5.0649 7.7374 117.7668 56.2127 30.6961 177.2337 108 F 5.4398 9.1159 123.9771 55.6070 41.2828 175.7325 109 V 3.9965 8.8846 121.6891 62.8835 32.4727 175.2652 110 G 4.5514 8.6366 113.1434 45.0877 0.0000 171.2576 111 L 5.2713 8.3066 121.0301 52.4316 44.7161 177.2948 112 K 4.2041 8.8115 123.4153 55.5741 32.8236 178.3075 113 K 3.8610 8.4384 119.8230 59.5032 31.9360 178.0338 114 N 4.4614 8.0156 113.6005 53.0780 37.7319 175.7521 115 G 3.4718 8.3508 108.5797 45.5234 0.0000 173.0074 116 S 4.8900 7.6821 116.0747 56.4349 65.2399 173.9649 117 C 4.6685 8.4400 121.0578 59.0568 28.2752 173.2394 118 K 4.4747 8.6953 120.7975 55.4527 33.5669 176.6082 119 R 4.1460 8.3107 121.2524 55.1524 31.5958 177.6265 120 G 3.3709 9.0105 113.8086 48.3017 0.0000 174.0459 121 P 4.3537 0.0000 0.0000 64.2647 31.4196 177.2194 122 R 4.4979 7.9246 116.5855 55.8312 30.1865 175.9000 123 T 5.2451 7.3735 107.8455 59.6517 71.1096 173.2534 124 H 4.6999 7.9537 114.9694 54.9927 30.4694 173.1881 125 Y 3.9578 8.7250 118.5411 59.8939 38.1431 177.1248 126 G 4.0605 9.0082 110.8233 45.4400 0.0000 173.9644 127 Q 4.2340 7.4181 119.0314 55.1150 29.7166 177.2950 128 K 3.8705 8.3581 120.0922 58.7206 32.7923 179.3205 129 A 3.9102 7.8150 121.9481 54.5005 18.3455 178.4819 130 I 4.4476 6.7248 105.3870 60.3921 38.4384 175.4683 131 L 4.3368 7.2306 123.4172 54.0818 42.5683 175.8434 132 F 5.5440 9.3190 122.2401 55.6012 43.5933 174.1740 133 L 5.2762 9.2700 120.7806 52.4471 45.1527 174.2061 134 P 5.1354 0.0000 0.0000 62.4725 31.6998 175.4249 135 L 4.7305 8.9412 125.9014 52.5549 43.7634 175.0310 136 P 4.7027 0.0000 0.0000 62.6195 32.2087 176.5651 137 V 3.8416 8.3026 115.8713 60.5476 32.5515 176.4890 138 S 4.2191 8.5971 117.1296 58.7563 62.0644 174.0378 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 1D H 8.44 4.73 0.00 3.30 3.51 0.00 5.65 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 8.01 4.84 0.00 3.32 3.33 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 9.08 4.62 0.00 3.32 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.45 4.77 0.00 2.96 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 N 8.52 4.61 0.00 2.96 2.79 0.00 0.00 6.86 6.74 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 3 L 8.03 4.81 0.00 1.48 1.41 0.66 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.48 0.00 2.17 2.14 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 5 P 0.00 4.27 0.00 2.17 2.20 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 6 G 7.82 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 7 N 8.10 4.50 0.00 2.62 2.67 0.00 0.00 5.88 7.55 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 8 Y 7.84 4.84 0.00 3.04 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 9 K 8.82 4.06 0.00 1.81 1.91 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.56 7.81 10 K 7.63 4.57 0.00 1.75 1.73 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.41 7.81 11 P 0.00 4.77 0.00 2.07 2.06 0.00 3.76 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 1.98 1.99 0.00 12 K 9.34 4.82 0.00 1.69 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.63 7.81 13 L 9.07 5.10 0.00 1.70 1.74 0.56 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.63 4.87 0.00 1.59 1.63 0.40 0.88 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 15 Y 9.15 4.62 0.00 3.27 3.15 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 16 C 8.73 4.13 0.00 2.41 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 0.00 0.00 0.00 0.00 17 S 8.13 3.69 0.00 3.85 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 18 N 8.07 4.10 0.00 2.55 2.70 0.00 0.00 6.71 7.98 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 19 G 7.52 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 20 G 7.77 3.38 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 0.00 21 H 7.39 4.78 0.00 2.99 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.87 5.19 0.00 3.04 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 23 L 9.10 4.43 0.00 1.84 1.55 0.97 0.57 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 24 R 9.82 4.93 0.00 1.88 2.09 0.00 3.15 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.86 0.00 25 I 8.24 4.83 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.74 0.88 0.00 0.00 26 L 9.11 4.17 0.00 1.83 1.51 0.92 0.85 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 27 P 0.00 4.16 0.00 1.99 2.11 0.00 3.53 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 28 D 7.98 4.55 0.00 2.79 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 29 G 8.42 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.47 4.26 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 1.22 0.00 0.00 31 V 8.15 4.85 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 0.84 0.00 0.00 0.95 0.00 0.00 32 D 8.85 4.59 0.00 2.85 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 33 G 8.73 4.96 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 0.00 0.00 0.00 34 T 8.45 5.01 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 1.37 0.00 0.00 35 R 8.82 4.45 0.00 1.88 2.02 0.00 3.22 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.43 0.00 36 D 8.34 4.52 0.00 2.81 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 37 R 8.58 3.73 0.00 1.76 1.75 0.00 3.22 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 38 S 8.83 4.37 0.00 3.91 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 39 D 7.56 4.36 0.00 2.75 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 40 Q 8.42 4.54 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.26 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 41 H 9.38 5.00 0.00 3.29 3.46 0.00 5.76 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.66 4.64 1.93 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.97 1.06 0.00 0.00 43 Q 7.92 4.20 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 44 L 9.08 5.02 0.00 1.48 1.45 0.82 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.33 4.75 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 46 L 8.55 5.13 0.00 1.72 1.46 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.66 4.62 0.00 3.90 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 48 A 8.38 4.67 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 49 E 8.70 4.24 0.00 1.54 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 50 G 6.81 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 51 G 8.60 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 9.08 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 53 E 7.89 5.21 0.00 1.85 1.70 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 2.21 2.44 0.00 54 V 8.68 4.83 1.98 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 0.68 0.00 0.00 1.15 0.00 0.00 55 Y 8.78 5.26 0.00 2.96 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.67 4.66 1.75 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.78 0.68 0.00 0.00 57 K 8.70 4.64 0.00 1.35 1.48 0.00 1.15 0.00 0.00 1.00 0.00 0.00 2.66 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.89 0.30 7.81 58 S 8.66 4.49 0.00 3.85 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 59 T 8.40 3.81 4.20 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 0.00 0.00 0.00 1.17 0.00 0.00 60 E 8.39 4.05 0.00 1.97 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 2.30 2.39 0.00 61 T 7.61 4.35 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 62 G 8.31 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 63 Q 7.50 4.45 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 64 Y 8.92 4.78 0.00 2.83 2.85 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 65 L 8.92 4.39 0.00 1.65 1.52 0.82 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.74 5.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.68 5.33 0.00 2.21 2.24 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 2.67 2.67 0.00 68 D 9.62 5.26 0.00 2.98 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 69 T 8.54 4.33 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 1.33 0.00 0.00 70 D 8.44 4.65 0.00 2.78 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 71 G 8.73 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 0.00 0.00 0.00 72 L 7.91 4.72 0.00 2.08 1.61 0.83 0.47 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 73 L 8.32 5.05 0.00 1.58 1.62 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.68 4.86 0.00 2.98 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 75 G 9.12 4.17 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 0.00 0.00 0.00 76 S 9.42 5.03 0.00 3.63 3.81 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 77 Q 9.00 4.41 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 78 T 7.58 4.61 4.15 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 1.21 0.00 0.00 79 P 0.00 3.91 0.00 0.77 0.49 0.00 3.42 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.26 0.00 80 N 7.98 5.11 0.00 2.89 2.92 0.00 0.00 5.94 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 81 E 8.84 3.88 0.00 2.04 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 2.27 2.32 0.00 82 E 8.91 4.12 0.00 2.22 2.26 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 2.37 2.42 0.00 83 C 7.83 5.03 0.00 3.21 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 84 L 7.30 4.42 0.00 1.35 1.31 0.75 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.84 5.25 0.00 3.13 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 86 L 9.20 4.72 0.00 1.51 1.59 0.84 0.93 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 87 E 8.70 4.52 0.00 2.17 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 2.20 1.92 0.00 88 R 8.56 4.81 0.00 1.75 1.77 0.00 3.14 0.00 0.00 2.86 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 89 L 8.58 4.74 0.00 1.53 1.60 0.99 0.75 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 90 E 8.98 4.71 0.00 2.26 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 2.30 2.48 0.00 91 E 9.76 4.00 0.00 2.38 2.12 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 2.30 2.40 0.00 92 N 8.45 4.31 0.00 2.83 2.88 0.00 0.00 6.87 8.16 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 93 H 8.46 4.83 0.00 2.83 2.90 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.70 4.62 0.00 3.01 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 95 N 9.50 5.56 0.00 3.02 2.60 0.00 0.00 6.95 6.81 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 96 T 8.99 5.26 4.52 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 1.34 0.00 0.00 97 Y 8.59 4.99 0.00 2.73 2.70 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 98 I 8.54 4.59 1.70 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 -0.17 0.58 0.69 0.00 0.00 99 S 8.87 4.03 0.00 4.08 4.06 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 0.00 100 K 8.64 3.96 0.00 1.69 1.68 0.00 1.66 0.00 0.00 1.44 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.27 7.81 101 K 7.84 3.86 0.00 1.74 1.59 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.06 1.30 7.81 102 H 7.91 4.60 0.00 3.21 2.44 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.62 3.92 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 0.00 104 E 8.02 4.03 0.00 1.84 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 2.27 2.27 0.00 105 K 7.66 4.19 0.00 0.79 1.36 0.00 0.61 0.00 0.00 0.75 0.00 0.00 2.75 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.11 0.98 7.81 106 N 7.63 3.87 0.00 3.04 3.00 0.00 0.00 6.91 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 0.00 107 W 7.74 5.06 0.00 3.28 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 0.00 108 F 9.12 5.44 0.00 2.86 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.88 4.00 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 0.63 0.00 0.00 0.46 0.00 0.00 110 G 8.64 4.55 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 0.00 0.00 0.00 111 L 8.31 5.27 0.00 1.35 1.43 1.01 0.71 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 0.00 112 K 8.81 4.20 0.00 2.00 1.67 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.39 1.50 7.81 113 K 8.44 3.86 0.00 1.70 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.40 7.81 114 N 8.02 4.46 0.00 2.80 2.90 0.00 0.00 6.12 7.00 0.00 0.00 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 G 8.35 3.47 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 0.00 116 S 7.68 4.89 0.00 3.96 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 0.00 117 C 8.44 4.67 0.00 2.52 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 0.00 118 K 8.70 4.47 0.00 1.71 1.72 0.00 1.57 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.35 7.81 119 R 8.31 4.15 0.00 1.63 1.62 0.00 3.09 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 120 G 9.01 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.35 0.00 1.91 2.16 0.00 3.10 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 122 R 7.92 4.50 0.00 1.83 1.90 0.00 3.10 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 123 T 7.37 5.25 4.32 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 1.37 0.00 0.00 124 H 7.95 4.70 0.00 3.45 3.54 0.00 5.68 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.72 3.96 0.00 3.10 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 0.00 126 G 9.01 4.06 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 0.00 0.00 0.00 127 Q 7.42 4.23 0.00 1.83 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.12 0.00 128 K 8.36 3.87 0.00 1.62 1.63 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.27 7.81 129 A 7.81 3.91 1.19 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 0.00 0.00 130 I 6.72 4.45 1.63 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.82 0.52 0.00 0.00 131 L 7.23 4.34 0.00 1.12 0.67 0.33 0.88 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 0.00 132 F 9.32 5.54 0.00 3.33 3.08 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 0.00 133 L 9.27 5.28 0.00 1.88 1.69 1.13 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.14 0.00 2.18 2.26 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 135 L 8.94 4.73 0.00 1.72 1.65 0.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.70 0.00 1.93 1.98 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 137 V 8.30 3.84 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 0.64 0.00 0.00 0.91 0.00 0.00 138 S 8.60 4.22 0.00 3.76 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