NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3965 8.1227 122.4622 51.4203 21.3592 175.7945 3 E 4.9004 8.0663 115.3566 53.3667 33.0648 172.3496 4 L 4.7398 9.7353 129.3338 53.4211 45.6026 175.4967 5 R 5.2945 9.4670 124.8096 53.7862 33.4629 174.7940 *7 A 4.5808 8.1790 120.4268 52.7874 20.2757 176.0300 8 T 5.1726 8.9048 114.9902 61.0523 71.3006 172.4076 9 T 5.1331 8.2931 109.3833 59.9952 71.7481 174.9270 10 T 3.9073 8.5948 120.2247 67.2232 68.2636 176.7225 11 S 4.1777 8.1613 114.7508 62.1752 63.2828 176.6716 12 T 4.0480 7.9466 117.9199 66.7035 68.2242 176.1289 13 D 4.2903 8.4622 120.2642 57.6315 41.0569 177.8797 14 N 4.3876 8.5882 116.2260 56.7778 38.5608 177.0719 15 T 4.1636 7.6273 110.3096 62.9112 69.1170 175.7525 16 G 4.0800 8.5156 109.7038 45.0176 0.0000 174.7511 17 L 2.8558 7.5909 121.7266 58.0040 41.8125 178.8809 18 L 3.6139 7.5105 118.1558 57.6573 41.1634 178.9306 19 D 4.6150 7.6024 117.8304 56.5647 41.2045 178.7123 20 V 3.8054 7.4564 118.8846 65.7869 31.6473 177.7471 21 L 4.2940 8.1046 118.8352 57.8689 41.4952 179.3554 22 A 4.1402 8.4305 120.9555 54.9334 18.3647 178.0153 23 P 4.2591 0.0000 0.0000 65.4749 31.4080 178.6912 24 A 4.1391 7.8413 118.6749 55.3710 18.3392 179.0004 25 Y 3.2624 8.4080 118.2769 60.5028 38.7546 178.0822 26 K 3.9115 8.0748 121.8379 59.0982 31.9835 178.2594 27 K 3.8870 8.1790 117.8872 59.7409 32.0449 178.4243 28 D 4.5716 8.5092 119.7123 57.1463 41.1072 178.3587 29 T 4.3427 7.6143 106.7949 60.0632 70.1607 175.0910 30 G 3.7384 7.8478 109.4024 45.7185 0.0000 173.1610 31 V 4.2395 6.9336 119.4734 61.4693 33.6152 174.6360 32 D 4.8313 9.1091 127.8099 52.9886 42.1529 175.4454 33 L 4.5100 8.6280 126.9652 54.6396 42.4306 175.8814 34 K 4.6980 9.1054 126.4845 54.2491 34.9591 175.4083 35 W 5.2005 8.0991 120.3905 54.6923 32.0813 174.4137 36 V 4.4809 8.5057 119.3193 61.1302 34.2052 173.8035 37 A 5.0514 8.9159 129.9029 51.2783 19.8644 175.8494 38 V 4.5223 8.6476 119.2901 60.6596 35.9167 176.0252 39 G 4.1168 8.6689 110.1194 46.1359 0.0000 174.7498 40 T 3.8712 8.6754 117.4221 66.4626 68.4136 176.8913 41 G 3.7372 8.0989 106.9000 48.2450 0.0000 175.2662 42 N 4.4581 8.1584 118.6144 55.5008 38.7014 177.2839 43 A 3.9810 8.2564 122.5502 55.2403 18.4612 179.6172 44 L 3.6568 7.9208 117.4919 57.7693 41.6422 179.6942 45 K 3.9233 8.4718 119.9296 59.3970 32.1119 178.6873 46 L 4.0769 8.7036 119.7592 57.9883 41.5497 179.8924 47 G 3.8516 8.0404 106.3668 47.2041 0.0000 175.3569 48 E 3.6456 8.3961 121.0685 58.3000 29.5620 177.5715 49 N 4.6803 7.6851 114.3125 52.1190 38.8685 174.0805 50 C 4.1837 7.6025 115.9361 58.2840 38.2986 173.9958 51 D 4.3427 8.1300 119.9690 55.3539 40.9682 176.4685 52 V 4.6179 7.3984 110.3512 59.8832 35.9111 174.3233 53 D 4.8511 8.9916 119.3992 55.8802 42.3795 177.6475 54 V 4.8737 7.6924 108.7752 59.5140 36.0369 175.1426 55 V 4.6720 8.5243 122.4157 61.1610 34.7609 173.9544 56 F 5.5547 9.5311 129.7789 57.0334 42.1934 173.6716 57 V 4.7463 8.6939 119.3518 59.8860 36.6001 174.7013 58 H 5.3649 8.2194 112.4494 52.8701 28.0715 174.9158 59 A 4.6772 9.2450 125.8609 49.7616 20.6380 175.1997 60 P 4.2426 0.0000 0.0000 64.7652 31.8294 178.0014 61 K 3.8696 7.9339 118.0105 59.6273 32.2849 178.9316 62 V 3.6476 7.7213 117.9890 66.0759 31.5355 177.6661 63 E 4.0745 8.4789 118.4157 59.0442 29.2226 179.4355 64 L 4.0250 7.8861 119.3965 57.7033 41.7517 178.8480 65 E 3.9425 8.0351 118.4527 59.8824 29.0011 178.8837 66 Y 4.1128 8.0302 119.0657 60.8024 38.7387 178.4291 67 V 3.9074 8.0060 120.3861 65.4933 31.4352 177.5892 68 E 3.8746 7.8772 117.8965 59.0932 29.5807 178.2141 69 K 3.9563 7.9470 115.5483 56.2591 32.0428 178.0592 70 G 3.8602 7.7860 107.9589 45.4363 0.0000 174.8971 71 F 4.5022 7.3937 119.8840 59.6890 39.3607 175.6356 72 G 4.8625 7.8906 104.2145 44.4036 0.0000 171.6664 73 I 4.7196 8.5135 114.1691 58.8726 42.0640 174.4268 74 D 4.3808 8.9188 117.9734 54.8394 38.1569 174.2270 75 R 4.2522 7.3091 116.3312 57.7037 30.8127 175.9621 76 T 4.6664 9.1010 122.4874 61.3141 72.6461 171.7662 77 P 4.8669 0.0000 0.0000 63.0826 31.5379 176.4001 78 V 4.1865 9.0331 122.2891 63.5896 33.9426 175.1067 *80 Y 4.8591 7.8048 119.8648 57.7112 39.7839 173.5956 81 N 4.0370 7.6819 120.9477 51.8248 41.5728 172.3094 82 D 5.1518 7.7279 117.7538 51.7941 43.6216 173.7066 83 F 5.2909 8.7699 116.8035 55.9566 42.7632 175.0567 84 V 4.4633 8.6121 118.1945 61.9423 35.3753 172.7471 85 I 4.8462 8.3309 128.1165 60.2138 38.8758 174.9084 86 I 4.8903 8.2618 119.6493 59.3623 41.3025 174.2218 87 G 4.3872 8.1963 109.2830 45.7280 0.0000 172.9469 88 N 5.2699 8.6677 116.4018 51.4838 38.2275 174.4661 89 P 4.2904 0.0000 0.0000 65.6567 31.5298 178.4780 90 S 4.2797 7.9702 112.5043 59.9464 62.8010 174.6300 91 F 4.7640 8.3127 119.4930 57.6449 39.8035 177.3661 92 K 4.4125 8.0171 118.0957 58.0830 32.5900 177.2810 93 Q 4.5772 7.7445 117.4918 55.6628 30.7384 177.1404 94 K 3.7709 8.0733 118.8554 58.4626 32.1577 177.1812 95 F 4.9866 7.7174 114.8828 57.1386 39.6687 174.7477 96 T 3.6677 7.6499 117.2147 65.3535 68.8043 174.0004 97 G 3.5274 8.6000 115.6956 46.5794 0.0000 172.7710 *99 S 4.4284 7.3339 113.1220 57.9490 65.9222 174.8234 100 V 3.4733 8.3648 115.5135 64.2960 31.2920 178.6619 101 A 3.7955 7.8067 120.0093 55.2423 18.1065 179.3410 102 E 3.8983 8.0403 116.3247 59.6765 29.5829 179.4826 103 A 4.1698 8.3971 121.0902 55.3395 18.2905 179.7303 104 F 3.6922 8.6596 116.7399 60.2035 38.8866 178.1744 105 K 4.0560 8.0784 117.9467 59.3571 31.8322 178.8039 106 L 3.9660 8.1879 120.7827 58.4630 41.9479 179.1380 107 I 3.5853 7.8140 119.4578 64.4663 36.7338 178.1481 108 E 2.8708 8.1101 119.9546 58.3652 29.1544 178.8946 109 K 3.8568 7.6272 119.6614 59.4795 32.3128 177.3779 110 E 4.1752 8.1291 114.9272 55.6108 29.9272 176.4649 111 Q 2.5200 6.8039 117.1659 56.4283 26.7203 174.4137 112 V 3.9641 7.2422 116.5535 62.2015 33.1384 176.8655 113 K 4.6859 8.9086 126.9498 56.9823 33.2352 175.4809 114 F 5.1451 9.6878 126.9187 56.4273 42.8594 173.4565 115 V 4.3365 8.0424 126.9089 61.2656 32.1408 175.1672 116 S 4.4648 8.6315 124.1928 57.6891 63.4760 174.9526 117 R 3.7372 8.9879 124.4063 57.2258 30.9783 178.0738 118 G 3.9522 8.1776 105.0501 46.1844 0.0000 172.9001 119 D 4.8575 7.5504 119.4814 51.8901 41.7792 175.3406 120 K 4.5558 8.5579 112.4394 55.2010 31.6775 174.9443 121 S 5.0120 7.7047 117.0476 55.7428 67.7885 175.3047 122 G 3.7210 8.5722 107.9620 48.1790 0.0000 176.0310 123 T 3.7897 7.9955 117.5682 66.7898 68.6002 176.0024 124 H 4.2155 8.2260 119.8736 59.4645 29.7367 177.4979 125 S 4.0819 8.1136 117.0073 61.2339 62.6687 176.5108 126 K 3.6506 7.8983 122.3624 59.3803 31.8462 178.4304 127 E 3.8497 8.2231 119.7368 59.3843 29.6725 178.9264 128 R 4.1375 8.1907 118.4119 59.3076 30.0431 178.8696 129 E 4.0034 8.0064 117.0723 59.0961 29.6592 179.3517 130 V 3.1748 7.4687 119.3088 65.5351 31.4609 178.0795 131 W 4.4099 7.8789 118.6832 59.6311 28.8705 178.7734 132 K 4.0626 8.1161 118.3078 59.6055 31.3293 179.3669 133 E 3.9586 8.3236 117.6443 58.5800 29.4095 178.3308 134 A 4.5432 7.7556 118.7085 52.5352 19.9319 177.4935 135 L 4.6726 8.4445 113.4224 53.5190 44.8758 176.6497 136 G 4.1941 8.9819 106.0206 45.8772 0.0000 173.6244 137 K 4.5033 7.2992 115.5201 55.1198 36.0805 174.7282 138 I 3.7307 7.9193 121.0791 59.7249 39.0179 174.5284 139 P 4.1339 0.0000 0.0000 61.9344 30.8373 178.0337 140 E 3.8237 7.5388 118.0877 60.3039 29.7864 178.5233 141 K 4.0185 7.6142 117.8107 58.6609 32.7152 177.5441 142 E 3.8354 7.4982 119.0656 56.0406 29.6910 178.2140 143 S 4.0919 8.6239 117.8812 60.9703 63.1687 175.0275 144 W 4.6122 7.3538 115.9980 56.9748 29.5158 175.3183 145 Y 4.7485 7.1805 123.0810 56.7041 38.5935 174.3553 146 I 4.1912 8.3583 129.0413 59.6974 39.3679 175.0243 147 E 4.5477 8.5129 127.0158 54.8280 29.2650 175.7999 148 A 3.8564 9.0577 128.9763 52.4255 19.1825 178.0655 149 G 3.8790 8.0929 101.9731 46.5177 0.0000 172.8445 150 Q 4.6811 7.7678 117.0874 53.7701 34.3377 177.1478 151 G 4.1296 7.9604 112.8344 45.4897 0.0000 175.3497 *153 L 4.2228 8.8466 126.1343 54.6472 43.6952 177.9674 154 A 4.0382 8.0489 119.7396 55.6289 18.3407 179.5736 155 T 3.7665 8.3178 114.5671 66.7258 68.3973 176.9121 156 I 3.5978 7.6865 121.2130 64.4218 37.1545 178.0690 157 N 4.4027 8.1129 116.9641 56.5383 38.3706 177.4889 158 I 3.8278 8.0667 121.0995 64.2968 37.1148 178.1834 159 A 4.0254 7.7424 120.9876 54.5307 18.3564 179.2849 160 E 3.9475 8.4161 118.2163 59.5220 29.5325 178.9566 161 E 4.0622 8.4946 118.0238 59.2618 29.6310 178.4235 162 Q 4.2955 8.1255 115.1056 54.7054 29.8356 175.9473 163 K 3.9118 7.8937 118.8314 57.7206 29.9519 173.1850 164 G 4.3188 8.5740 104.3680 44.9749 0.0000 172.2303 165 L 4.8446 8.8192 119.0148 53.9151 44.0772 176.1157 166 T 4.0164 8.1045 114.3857 60.4629 71.4006 172.0802 167 L 4.8919 8.2177 128.5606 54.7352 43.1163 175.6421 168 T 4.9558 9.0674 120.8419 59.8725 70.8712 172.9984 169 D 4.2935 8.6719 125.6725 52.8868 40.4337 177.4036 170 R 4.0207 8.1439 120.9148 59.3770 30.1381 179.1196 171 G 3.6127 7.9421 105.1113 48.2992 0.0000 175.4682 172 T 3.8836 8.0957 118.5938 66.2486 68.3713 176.5039 173 F 4.2570 7.8794 121.4413 61.3037 39.3468 177.2455 174 I 3.5063 8.1088 119.8226 64.0229 36.9857 178.3357 175 K 3.8394 7.9287 120.1863 59.5408 31.8567 177.8807 176 Y 3.9991 7.9313 118.8357 60.9775 38.9197 177.6378 177 E 4.0262 8.1561 119.6293 59.6704 29.3678 179.6180 178 S 4.2140 7.6107 112.5043 61.4021 62.9521 175.4526 179 N 4.6081 7.7021 116.6146 53.3487 39.8905 174.9994 180 H 4.7172 7.9972 117.0372 53.9248 29.1220 173.2657 181 K 4.0617 7.5899 119.8273 57.2006 33.3268 179.0817 182 G 3.7553 8.4016 108.9586 44.3831 0.0000 172.5786 183 K 3.8643 8.5835 118.5283 56.3134 32.1641 174.9495 184 P 4.5219 0.0000 0.0000 61.7198 31.9091 175.0401 185 P 4.3955 0.0000 0.0000 64.0891 31.2830 175.9452 *187 V 4.4478 7.4212 112.1116 61.0428 33.6249 174.5375 188 I 4.1970 8.3252 122.9122 61.6735 36.8538 176.5218 189 V 4.4095 8.5390 120.2328 61.5584 33.3322 175.9513 190 L 4.7308 7.5567 121.8665 53.9568 45.3392 173.6315 191 E 4.7910 8.8491 121.6856 56.3673 31.6541 174.7916 192 G 4.0451 9.2791 108.7521 45.5286 0.0000 174.1048 193 D 4.3783 8.0971 119.5179 54.7711 41.3929 177.3883 194 N 4.4116 8.9510 121.5398 56.4426 38.8033 177.2484 195 T 3.9294 7.8107 106.9616 63.9027 69.2173 174.7278 196 L 4.3930 8.1898 122.3034 54.6342 41.7338 175.6163 197 K 4.9829 7.7663 118.5537 54.8142 34.3404 175.5496 198 N 4.7549 8.9692 120.9334 51.3430 41.7775 173.4219 199 F 5.1428 8.5842 122.2202 55.9798 41.8693 173.8594 200 Y 5.0772 8.6995 122.2272 57.2234 39.6130 175.1036 201 S 5.3367 9.5504 119.3732 57.0445 67.9857 172.8902 202 I 5.5149 8.8313 121.8348 58.2602 41.6982 173.6114 *204 A 4.6215 8.2387 123.2369 51.4493 20.0104 176.4548 205 V 4.0201 8.6326 122.0520 62.7548 32.6054 175.3062 206 N 4.5167 8.9863 127.0902 53.1834 39.2577 173.8750 207 P 4.5710 0.0000 0.0000 64.7817 32.0232 178.4820 208 K 3.9036 8.1798 120.7140 58.4695 32.1193 177.3759 209 R 4.4843 7.6718 112.2144 56.0376 30.4410 175.8236 210 C 4.8724 7.4821 116.1615 54.6512 41.1417 174.0414 211 E 3.8302 8.7290 123.9639 58.6248 29.3857 178.4512 212 K 4.4634 7.8650 114.8785 55.8147 32.5207 175.9064 213 A 4.3179 7.6906 122.6976 52.0949 18.6829 179.5177 214 D 4.6862 9.0668 122.5574 53.4803 39.2493 176.3543 215 Y 4.2073 8.1943 125.2660 59.9030 39.2342 176.9315 216 K 3.8587 8.2410 119.2252 59.6159 32.2734 179.3469 217 G 3.7029 8.8752 106.9500 47.0236 0.0000 175.6444 218 A 4.0349 8.0227 123.1044 54.7975 18.3557 179.5824 219 K 3.6996 7.7954 118.2177 59.6875 32.3262 178.6514 220 Q 4.0036 8.1173 119.8035 59.2053 28.9458 178.2069 221 F 4.0301 8.3770 121.5296 61.3443 39.2448 177.1168 222 I 3.5581 8.2194 119.8799 64.5137 36.6644 178.1436 223 D 4.4312 8.2215 118.9511 57.1231 40.9110 178.3610 224 W 4.2400 8.1625 128.7606 60.4397 30.5305 177.8212 225 I 3.1047 7.6325 117.2327 62.5521 37.3093 177.1969 226 V 4.1947 6.6816 110.4051 60.0857 32.2614 175.9777 227 S 4.3240 6.9964 113.7389 57.7019 63.8436 174.1123 228 E 3.9606 8.7973 121.5796 59.7458 29.4101 179.5176 229 K 3.8997 7.9421 115.3775 58.0619 32.2028 177.6448 *231 Q 4.1308 8.0481 117.4758 55.9733 30.9609 177.3473 232 A 3.9387 7.7539 119.7673 55.3417 18.5258 179.5784 233 E 3.9443 7.8758 116.7207 59.6040 29.2816 179.7428 234 I 3.7539 7.5919 118.3007 64.1879 36.9804 177.7812 235 A 4.1588 8.4080 122.1639 55.2612 18.0242 179.2322 236 N 4.3793 8.1824 114.2320 56.3338 39.0209 176.6108 237 F 4.3311 7.9704 121.8272 60.2979 39.5706 174.8598 238 K 3.8189 7.6213 120.3783 56.7014 32.6570 175.9537 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 A 8.12 4.40 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 3 E 8.07 4.90 0.00 1.98 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.34 0.00 4 L 9.74 4.74 0.00 1.70 1.27 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 5 R 9.47 5.29 0.00 1.83 1.84 0.00 3.26 0.00 0.00 3.54 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 *7 A 8.18 4.58 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 8 T 8.90 5.17 4.38 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 1.31 0.00 0.00 9 T 8.29 5.13 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 1.15 0.00 0.00 10 T 8.59 3.91 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 1.26 0.00 0.00 11 S 8.16 4.18 0.00 4.02 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 12 T 7.95 4.05 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 0.74 0.00 0.00 13 D 8.46 4.29 0.00 2.87 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 14 N 8.59 4.39 0.00 2.93 3.00 0.00 0.00 7.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.63 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 1.41 0.00 0.00 16 G 8.52 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.59 2.86 0.00 1.21 1.38 0.31 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.51 3.61 0.00 0.86 0.13 -0.17 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 19 D 7.60 4.62 0.00 2.81 2.86 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 20 V 7.46 3.81 1.94 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 1.10 0.00 0.00 0.91 0.00 0.00 21 L 8.10 4.29 0.00 1.86 1.86 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.43 4.14 1.66 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 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.26 0.00 2.26 2.17 0.00 3.86 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 24 A 7.84 4.14 1.76 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 0.00 0.00 25 Y 8.41 3.26 0.00 2.36 2.87 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 26 K 8.07 3.91 0.00 1.97 2.00 0.00 1.44 0.00 0.00 1.94 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.36 7.81 27 K 8.18 3.89 0.00 1.96 1.86 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.73 7.81 28 D 8.51 4.57 0.00 2.57 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 29 T 7.61 4.34 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 0.58 0.00 0.00 30 G 7.85 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 6.93 4.24 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 1.04 0.00 0.00 0.80 0.00 0.00 32 D 9.11 4.83 0.00 2.71 2.56 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 33 L 8.63 4.51 0.00 1.54 1.74 0.19 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 34 K 9.11 4.70 0.00 1.63 1.53 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.44 7.81 35 W 8.10 5.20 0.00 3.24 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.51 4.48 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 1.02 0.00 0.00 0.93 0.00 0.00 37 A 8.92 5.05 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 38 V 8.65 4.52 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 0.84 0.00 0.00 1.06 0.00 0.00 39 G 8.67 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 40 T 8.68 3.87 4.19 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 1.14 0.00 0.00 41 G 8.10 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.16 4.46 0.00 2.87 2.89 0.00 0.00 6.94 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.26 3.98 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 44 L 7.92 3.66 0.00 1.81 1.54 0.77 0.09 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 45 K 8.47 3.92 0.00 1.90 1.99 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.47 7.81 46 L 8.70 4.08 0.00 1.91 1.74 0.95 1.05 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 47 G 8.04 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 48 E 8.40 3.65 0.00 1.86 1.94 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 1.58 1.47 0.00 49 N 7.69 4.68 0.00 2.72 2.79 0.00 0.00 7.02 7.81 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 50 C 7.60 4.18 0.00 3.09 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 D 8.13 4.34 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.40 4.62 2.32 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 0.81 0.00 0.00 1.03 0.00 0.00 53 D 8.99 4.85 0.00 2.69 2.73 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 54 V 7.69 4.87 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 0.76 0.00 0.00 0.96 0.00 0.00 55 V 8.52 4.67 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.02 0.00 0.00 56 F 9.53 5.55 0.00 3.06 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 57 V 8.69 4.75 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 0.64 0.00 0.00 0.91 0.00 0.00 58 H 8.22 5.36 0.00 2.84 2.73 0.00 5.32 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 9.24 4.68 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 60 P 0.00 4.24 0.00 2.12 2.05 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 61 K 7.93 3.87 0.00 1.81 1.79 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.49 7.81 62 V 7.72 3.65 2.16 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 1.03 0.00 0.00 0.93 0.00 0.00 63 E 8.48 4.07 0.00 2.08 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 2.30 2.54 0.00 64 L 7.89 4.03 0.00 2.08 1.71 0.95 0.92 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 65 E 8.04 3.94 0.00 2.23 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 2.43 2.52 0.00 66 Y 8.03 4.11 0.00 3.28 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 67 V 8.01 3.91 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 1.16 0.00 0.00 1.07 0.00 0.00 68 E 7.88 3.87 0.00 2.06 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 2.26 2.45 0.00 69 K 7.95 3.96 0.00 0.79 0.74 0.00 1.64 0.00 0.00 1.41 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.22 1.35 7.81 70 G 7.79 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 71 F 7.39 4.50 0.00 1.51 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 0.00 0.00 0.00 72 G 7.89 4.86 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 73 I 8.51 4.72 1.92 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.04 0.91 0.00 0.00 74 D 8.92 4.38 0.00 2.97 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 75 R 7.31 4.25 0.00 1.88 1.92 0.00 3.29 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 76 T 9.10 4.67 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 77 P 0.00 4.87 0.00 2.01 2.10 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 78 V 9.03 4.19 2.51 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 0.71 0.00 0.00 0.96 0.00 0.00 *80 Y 7.80 4.86 0.00 3.13 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 81 N 7.68 4.04 0.00 2.38 2.61 0.00 0.00 6.48 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 82 D 7.73 5.15 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 83 F 8.77 5.29 0.00 2.79 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.61 4.46 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 0.64 0.00 0.00 0.92 0.00 0.00 85 I 8.33 4.85 1.75 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.43 0.82 0.00 0.00 86 I 8.26 4.89 1.62 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.57 -0.05 0.00 0.00 87 G 8.20 4.39 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 0.00 88 N 8.67 5.27 0.00 3.03 3.09 0.00 0.00 6.74 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 89 P 0.00 4.29 0.00 2.22 2.19 0.00 3.64 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 90 S 7.97 4.28 0.00 3.78 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 91 F 8.31 4.76 0.00 3.36 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 92 K 8.02 4.41 0.00 1.97 2.01 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.45 7.81 93 Q 7.74 4.58 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 94 K 8.07 3.77 0.00 1.53 1.42 0.00 1.50 0.00 0.00 1.45 0.00 0.00 2.90 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.30 1.03 7.81 95 F 7.72 4.99 0.00 3.28 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 96 T 7.65 3.67 4.26 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 1.23 0.00 0.00 97 G 8.60 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *99 S 7.33 4.43 0.00 4.03 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.36 3.47 1.59 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 0.59 0.00 0.00 0.76 0.00 0.00 101 A 7.81 3.80 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.04 3.90 0.00 2.25 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 2.34 2.33 0.00 103 A 8.40 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 8.66 3.69 0.00 2.75 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 0.00 105 K 8.08 4.06 0.00 2.08 1.90 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.53 1.63 7.81 106 L 8.19 3.97 0.00 2.08 2.00 0.88 1.29 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 0.00 107 I 7.81 3.59 1.83 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.85 0.79 0.00 0.00 108 E 8.11 2.87 0.00 2.20 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 2.36 2.75 0.00 109 K 7.63 3.86 0.00 1.93 1.92 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.40 7.81 110 E 8.13 4.18 0.00 1.90 1.90 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 2.26 2.36 0.00 111 Q 6.80 2.52 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 112 V 7.24 3.96 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 0.73 0.00 0.00 0.92 0.00 0.00 113 K 8.91 4.69 0.00 1.89 1.84 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.67 1.62 7.81 114 F 9.69 5.15 0.00 3.44 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 0.00 115 V 8.04 4.34 1.81 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 0.68 0.00 0.00 0.81 0.00 0.00 116 S 8.63 4.46 0.00 4.29 3.42 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 0.00 117 R 8.99 3.74 0.00 1.85 2.36 0.00 3.79 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 118 G 8.18 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 0.00 0.00 0.00 119 D 7.55 4.86 0.00 2.73 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 0.00 120 K 8.56 4.56 0.00 1.78 1.83 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.40 7.81 121 S 7.70 5.01 0.00 4.08 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 0.00 122 G 8.57 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 0.00 123 T 8.00 3.79 4.36 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 1.36 0.00 0.00 124 H 8.23 4.22 0.00 3.40 3.50 0.00 5.59 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 0.00 125 S 8.11 4.08 0.00 4.07 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 7.90 3.65 0.00 1.08 1.11 0.00 1.41 0.00 0.00 1.40 0.00 0.00 2.71 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.53 1.05 7.81 127 E 8.22 3.85 0.00 2.25 2.22 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 2.69 2.93 0.00 128 R 8.19 4.14 0.00 2.09 1.97 0.00 3.18 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 129 E 8.01 4.00 0.00 2.10 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 0.00 2.42 2.23 0.00 130 V 7.47 3.17 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 -0.67 0.00 0.00 0.56 0.00 0.00 131 W 7.88 4.41 0.00 3.61 3.29 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 0.00 132 K 8.12 4.06 0.00 2.00 1.85 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.50 7.81 133 E 8.32 3.96 0.00 1.96 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 2.29 2.42 0.00 134 A 7.76 4.54 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.44 4.67 0.00 2.05 1.74 1.36 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.98 4.19 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 0.00 137 K 7.30 4.50 0.00 1.68 1.61 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.40 7.81 138 I 7.92 3.73 1.82 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 0.56 0.89 0.87 0.00 0.00 139 P 0.00 4.13 0.00 1.13 1.62 0.00 2.20 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 140 E 7.54 3.82 0.00 2.08 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 0.00 2.11 2.24 0.00 141 K 7.61 4.02 0.00 1.63 1.82 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.34 7.81 142 E 7.50 3.84 0.00 1.16 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 0.00 2.03 2.16 0.00 143 S 8.62 4.09 0.00 4.01 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 W 7.35 4.61 0.00 3.80 3.46 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 0.00 145 Y 7.18 4.75 0.00 1.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.36 4.19 1.76 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 1.20 0.45 0.83 0.00 0.00 147 E 8.51 4.55 0.00 1.75 1.85 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 2.22 2.16 0.00 148 A 9.06 3.86 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 0.00 149 G 8.09 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 7.77 4.68 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.57 0.00 151 G 7.96 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *153 L 8.85 4.22 0.00 1.75 1.76 0.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 154 A 8.05 4.04 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 0.00 155 T 8.32 3.77 4.26 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 1.12 0.00 0.00 156 I 7.69 3.60 1.95 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 1.50 0.57 0.34 0.00 0.00 157 N 8.11 4.40 0.00 2.99 2.93 0.00 0.00 7.06 7.30 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 0.00 158 I 8.07 3.83 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.80 0.88 0.00 0.00 159 A 7.74 4.03 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 0.00 160 E 8.42 3.95 0.00 2.04 2.16 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 2.40 2.64 0.00 161 E 8.49 4.06 0.00 2.00 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 0.00 2.38 2.49 0.00 162 Q 8.13 4.30 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 163 K 7.89 3.91 0.00 1.92 1.96 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.55 7.81 164 G 8.57 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 0.00 0.00 0.00 0.00 165 L 8.82 4.84 0.00 1.80 1.62 0.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 166 T 8.10 4.02 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 1.05 0.00 0.00 167 L 8.22 4.89 0.00 2.02 1.75 1.04 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 168 T 9.07 4.96 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 1.15 0.00 0.00 169 D 8.67 4.29 0.00 2.34 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 0.00 170 R 8.14 4.02 0.00 1.81 1.83 0.00 3.09 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 171 G 7.94 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 0.00 172 T 8.10 3.88 4.30 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 1.24 0.00 0.00 173 F 7.88 4.26 0.00 3.06 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 I 8.11 3.51 2.01 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 1.42 0.60 0.87 0.00 0.00 175 K 7.93 3.84 0.00 1.83 1.92 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.41 7.81 176 Y 7.93 4.00 0.00 2.95 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 0.00 177 E 8.16 4.03 0.00 1.97 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.47 0.00 178 S 7.61 4.21 0.00 3.98 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 N 7.70 4.61 0.00 2.70 2.73 0.00 0.00 6.81 7.70 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 0.00 180 H 8.00 4.72 0.00 2.87 3.09 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 0.00 181 K 7.59 4.06 0.00 1.71 1.71 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.37 7.81 182 G 8.40 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 0.00 0.00 0.00 183 K 8.58 3.86 0.00 1.78 1.83 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.49 7.81 184 P 0.00 4.52 0.00 2.16 2.09 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 185 P 0.00 4.40 0.00 2.38 2.19 0.00 3.83 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 *187 V 7.42 4.45 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.09 0.00 0.00 188 I 8.33 4.20 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.46 0.94 0.00 0.00 189 V 8.54 4.41 2.39 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 0.73 0.00 0.00 1.09 0.00 0.00 190 L 7.56 4.73 0.00 1.54 1.29 0.75 0.76 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 0.00 191 E 8.85 4.79 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 192 G 9.28 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 0.00 193 D 8.10 4.38 0.00 2.73 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 N 8.95 4.41 0.00 2.77 2.94 0.00 0.00 6.90 7.05 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 0.00 195 T 7.81 3.93 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 1.20 0.00 0.00 196 L 8.19 4.39 0.00 1.85 1.87 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 197 K 7.77 4.98 0.00 1.85 1.51 0.00 1.82 0.00 0.00 1.98 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.47 7.81 198 N 8.97 4.75 0.00 2.38 1.91 0.00 0.00 6.80 8.29 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 0.00 199 F 8.58 5.14 0.00 3.01 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 0.00 200 Y 8.70 5.08 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 0.00 201 S 9.55 5.34 0.00 4.06 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 0.00 202 I 8.83 5.51 1.80 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 2.84 0.92 0.00 0.00 *204 A 8.24 4.62 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 V 8.63 4.02 2.29 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 0.79 0.00 0.00 1.13 0.00 0.00 206 N 8.99 4.52 0.00 3.01 2.72 0.00 0.00 6.73 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 0.00 207 P 0.00 4.57 0.00 2.13 2.21 0.00 3.53 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.96 0.00 208 K 8.18 3.90 0.00 1.78 1.84 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.33 7.81 209 R 7.67 4.48 0.00 1.93 2.02 0.00 3.14 0.00 0.00 3.35 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 210 C 7.48 4.87 0.00 3.24 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 E 8.73 3.83 0.00 1.96 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 2.32 2.29 0.00 212 K 7.87 4.46 0.00 1.73 1.81 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.36 7.81 213 A 7.69 4.32 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 0.00 214 D 9.07 4.69 0.00 2.82 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 0.00 215 Y 8.19 4.21 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 0.00 216 K 8.24 3.86 0.00 2.00 1.85 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.57 7.81 217 G 8.88 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 0.00 218 A 8.02 4.03 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 0.00 219 K 7.80 3.70 0.00 1.50 1.63 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 0.92 7.81 220 Q 8.12 4.00 0.00 2.20 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 221 F 8.38 4.03 0.00 2.91 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 0.00 222 I 8.22 3.56 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.91 0.00 0.00 223 D 8.22 4.43 0.00 2.83 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 0.00 224 W 8.16 4.24 0.00 3.58 3.36 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 0.00 225 I 7.63 3.10 1.28 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.51 0.68 0.00 0.00 226 V 6.68 4.19 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 0.77 0.00 0.00 0.93 0.00 0.00 227 S 7.00 4.32 0.00 3.89 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 0.00 228 E 8.80 3.96 0.00 2.01 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 0.00 2.37 2.27 0.00 229 K 7.94 3.90 0.00 1.74 1.67 0.00 1.78 0.00 0.00 1.92 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.45 7.81 *231 Q 8.05 4.13 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.23 0.00 232 A 7.75 3.94 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 0.00 233 E 7.88 3.94 0.00 1.93 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 0.00 2.32 2.47 0.00 234 I 7.59 3.75 1.81 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 1.42 0.29 0.90 0.00 0.00 235 A 8.41 4.16 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 N 8.18 4.38 0.00 2.75 3.05 0.00 0.00 7.22 6.64 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 0.00 237 F 7.97 4.33 0.00 3.06 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 K 7.62 3.82 0.00 1.82 1.73 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.65 1.35 7.81 * Residues marked with a * may have inaccurate shift predictions.