NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -12 D 4.5877 8.2233 120.5440 55.3128 42.2408 176.3073 -11 L 3.7059 8.8474 120.3940 53.8688 40.3636 174.2386 -10 G 3.8601 8.1169 105.9620 46.0584 0.0000 172.6290 -9 T 4.3996 7.6143 112.8572 60.5188 68.3979 174.6239 -8 E 4.1735 8.6187 126.0119 57.0673 30.3085 176.7870 -7 N 4.2494 8.1048 118.5745 54.2982 39.7556 175.0065 -6 L 4.0632 8.6436 128.2328 58.0226 41.7411 178.6526 -5 Y 4.1477 8.0770 117.9896 60.6992 38.8821 177.4553 -4 F 4.2987 8.3391 119.9583 61.5478 39.7009 176.7134 -3 Q 4.0164 8.0371 116.4224 57.6209 28.9696 177.0726 -2 S 4.1216 7.5175 113.7814 58.9144 62.7482 173.4864 -1 N 4.7882 8.4438 121.6177 52.6462 39.5230 174.7530 0 A 4.1578 7.7185 122.2906 52.4452 18.9401 178.1781 1 M 4.2065 8.5799 121.0060 56.9528 32.6350 176.8126 2 I 4.5712 7.4664 119.1381 59.7482 39.0490 174.9074 3 H 4.4257 9.4282 126.6373 58.7315 30.4455 175.1300 4 G 4.2725 7.7086 102.8664 46.1780 0.0000 171.9781 5 I 5.2589 7.7364 112.5348 59.2138 41.6071 174.3949 6 G 4.3681 8.9159 109.3023 44.9711 0.0000 172.2137 7 V 5.0784 8.2613 121.4344 59.8240 34.8038 174.2929 8 D 4.7922 9.2633 121.8347 52.7170 44.9087 173.3841 9 L 5.0400 8.7021 127.2101 53.3773 44.4482 175.2818 10 I 4.7150 9.1802 126.4212 59.3929 41.3731 174.3433 11 E 4.2034 8.7747 127.4347 55.3474 30.1909 176.5435 12 I 3.6217 8.5697 128.7856 65.0055 37.2702 177.7210 13 D 4.3528 8.1166 118.6980 57.9113 40.5323 179.4562 14 R 3.9234 7.7969 117.6710 59.1512 30.0222 179.2417 15 I 3.6143 7.4422 119.2338 64.3317 37.2214 177.9785 16 Q 4.1306 8.3787 120.4696 59.1140 28.7610 178.4071 17 A 3.9657 8.1030 121.8061 54.9358 18.2457 179.2384 18 L 3.8605 7.7841 117.6934 58.6280 42.1290 178.3434 19 Y 4.3593 8.5795 120.0596 60.6455 38.5138 177.9735 20 S 3.9926 8.2260 114.7614 60.5461 63.2439 175.6257 21 K 4.3885 7.5528 119.4214 55.5155 34.1232 176.4686 22 Q 4.6538 7.4022 115.7703 53.9918 31.5772 172.8721 23 P 4.2801 0.0000 0.0000 65.7245 31.6836 178.1749 24 K 4.2138 8.0174 115.5221 58.1543 31.9352 178.3260 25 L 4.3006 8.1572 120.0640 56.5850 41.6265 179.1819 26 V 3.5755 7.9670 119.9164 64.8614 30.9194 178.1747 27 E 4.2101 7.8154 116.6431 58.4294 29.3569 178.3921 28 R 4.4017 7.8905 116.1297 56.4044 30.6898 176.7723 29 I 4.3871 7.5067 118.3273 62.0429 38.9958 175.7731 30 L 4.8522 8.1408 119.2159 53.0261 43.3951 177.0980 31 T 4.3498 8.7914 113.6612 61.1291 70.8207 175.9560 32 K 3.9944 8.5243 120.1493 59.8229 32.1184 179.3284 33 N 4.3847 8.1491 116.1373 56.3822 38.5477 177.1927 34 E 4.2915 8.4900 120.0265 59.5960 29.5149 179.4231 35 Q 4.2078 8.8205 118.4959 59.1805 28.5664 178.1258 36 H 4.0882 8.3541 118.4606 59.2951 30.1045 176.8753 37 K 3.8100 8.0323 120.9687 59.2596 32.0224 178.1707 38 F 4.2981 8.6311 121.3314 61.8677 39.1345 176.9778 39 N 4.4012 8.9866 114.6172 55.4947 38.4023 176.0813 40 N 4.5639 7.2301 115.5203 52.1067 39.4097 175.2513 41 F 4.1305 7.3343 120.8627 57.5785 39.5848 175.4616 42 T 4.1495 8.5400 114.5175 63.3313 69.9717 174.9808 43 H 4.5945 8.0199 122.1149 54.6038 31.3286 175.1422 44 E 3.8924 8.6240 129.0086 59.3569 29.5952 178.4530 45 Q 3.9848 8.2237 119.3313 59.0991 29.2276 178.1414 46 R 3.7668 7.8206 118.7667 58.5050 30.1166 178.7283 47 K 3.0461 7.3990 119.4010 59.3166 32.0933 179.0142 48 I 3.7458 7.6280 120.0403 64.3313 36.9686 178.2907 49 E 3.9370 8.0620 119.5201 59.2246 29.1897 179.0174 50 F 4.1127 8.0776 120.6388 61.2884 39.3720 176.8568 51 L 3.8167 8.1413 119.5420 58.1472 41.8927 178.7840 52 A 4.1032 8.3957 121.0922 55.1331 18.3374 179.8221 53 G 3.5570 8.5874 104.6677 48.0525 0.0000 176.1833 54 R 3.7591 7.9929 120.7469 58.6581 29.9545 178.9093 55 F 3.9781 8.5061 120.4589 61.3055 39.3940 177.0157 56 A 4.4708 8.2516 121.7295 55.0061 18.1674 179.7798 57 T 4.1651 7.8642 115.4822 66.1349 68.4305 177.0006 58 K 3.3365 7.8478 120.6127 59.2130 31.7846 179.0088 59 E 3.9617 8.0133 119.2541 59.2595 29.5532 178.7040 60 A 3.9590 8.3113 121.2620 54.9739 18.1836 179.3980 61 F 3.8792 8.3437 118.7139 61.5300 39.7868 177.2241 62 S 4.0730 8.3273 115.0954 61.4615 62.6209 176.9256 63 K 3.9328 8.1964 121.0330 59.3474 31.6363 179.3405 64 A 4.1129 7.9074 122.5060 54.4003 18.0131 179.4834 65 L 3.4580 7.5458 118.5359 57.9298 42.1921 177.9705 66 G 3.7573 7.5235 104.7187 45.5587 0.0000 173.6405 61 V 3.3792 8.0737 117.6139 66.0300 33.0868 177.7241 62 A 3.9230 8.2573 123.1954 55.6615 17.9209 180.1256 63 F 4.2328 8.2064 120.9330 60.8474 38.1363 178.5405 64 N 4.5329 8.0674 117.4060 55.0003 37.8131 176.8834 65 D 3.7580 7.7258 117.1359 57.0298 40.8921 176.6705 66 I 3.9673 7.1935 115.8187 61.5587 37.0811 175.1405 79 D 4.4540 8.3073 126.0475 52.9486 40.5924 175.6889 80 C 4.6643 8.5422 129.1107 58.4760 31.8429 172.2658 81 Y 4.8973 8.4184 125.2194 55.5139 40.9895 173.8926 82 N 5.2723 8.6373 116.0815 51.6120 40.6142 174.8471 83 D 4.3538 9.4111 124.7859 57.5185 41.2324 178.0276 *86 G 3.8813 7.7196 106.2991 44.5667 0.0000 172.4009 87 K 4.1135 7.7674 122.7313 55.2264 32.8381 174.0796 88 P 4.9577 0.0000 0.0000 62.8964 32.3665 175.4377 89 K 4.4852 8.8639 122.4054 54.9902 36.1581 174.6801 90 I 5.0278 7.9833 124.7627 59.6679 40.6258 174.3645 91 D 4.8954 8.9950 126.4707 52.8972 42.4947 175.5643 92 Y 4.5983 8.4253 124.2861 55.7820 40.8896 173.7185 93 E 4.0251 8.5544 126.5630 58.5484 30.0564 177.8407 94 G 3.9372 9.7803 111.8223 44.8730 0.0000 172.3940 95 F 5.3228 8.0359 116.3252 55.8603 43.6485 174.0765 96 I 4.4816 9.1126 121.5761 59.8190 39.1000 174.9340 97 V 4.6065 8.4873 127.1120 61.4858 33.2826 174.1469 98 H 5.0356 9.1991 125.6887 54.1852 30.9899 174.0272 99 V 5.0075 8.2547 121.3756 61.4888 35.0260 174.1880 100 S 4.7556 8.9921 119.4882 56.9605 66.1504 172.6914 101 I 5.1356 8.2872 125.2802 59.7295 40.8997 174.6081 102 S 4.7437 9.1422 119.1375 57.0734 66.1992 172.3140 103 H 5.4748 8.8792 121.6943 54.3898 32.2262 172.7685 104 T 4.7930 8.6628 111.8106 59.5131 71.6540 174.0760 105 E 3.8665 8.8905 120.8784 59.2040 29.8189 177.3842 106 H 4.6764 7.7227 111.3559 55.8617 30.4610 173.6831 107 Y 5.3160 7.9157 115.7796 55.9810 42.2686 174.3271 108 A 5.2341 9.2200 123.6388 50.4626 22.8726 174.8497 109 M 5.2488 8.9230 119.2473 53.9914 36.1812 174.0261 110 S 5.3109 9.1787 119.6890 56.4971 66.6610 172.3967 111 Q 5.0974 8.9966 122.4895 54.4385 32.0337 174.2195 112 V 4.9853 8.8182 120.6480 61.2209 35.4715 174.1671 113 V 4.7981 9.0023 126.7109 61.1317 34.6787 173.8222 114 L 5.2801 8.8351 127.7042 53.2363 44.0368 175.3043 115 E 5.0955 9.1010 122.8920 54.4429 32.6643 175.5087 116 K 4.2306 8.5668 122.0421 55.7002 33.3625 177.2246 117 S 4.3418 8.2159 119.0639 58.9614 62.3366 174.2803 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 -12 D 8.22 4.59 0.00 2.80 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 -11 L 8.85 3.71 0.00 1.91 1.81 0.88 0.67 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 -10 G 8.12 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 -9 T 7.61 4.40 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 1.11 0.00 0.00 -8 E 8.62 4.17 0.00 2.02 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 0.00 2.33 2.30 0.00 -7 N 8.10 4.25 0.00 2.87 2.86 0.00 0.00 7.10 6.79 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 -6 L 8.64 4.06 0.00 1.81 1.76 0.95 0.81 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 -5 Y 8.08 4.15 0.00 2.95 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 -4 F 8.34 4.30 0.00 3.07 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 -3 Q 8.04 4.02 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.57 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 -2 S 7.52 4.12 0.00 3.94 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 -1 N 8.44 4.79 0.00 2.67 2.73 0.00 0.00 6.96 7.35 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 A 7.72 4.16 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 1 M 8.58 4.21 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 2 I 7.47 4.57 1.89 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 1.33 0.58 1.02 0.00 0.00 3 H 9.43 4.43 0.00 3.36 3.69 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.71 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 0.00 0.00 0.00 0.00 5 I 7.74 5.26 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.91 0.91 0.00 0.00 6 G 8.92 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 0.00 0.00 0.00 0.00 7 V 8.26 5.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.00 0.00 0.00 8 D 9.26 4.79 0.00 2.79 2.66 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 9 L 8.70 5.04 0.00 1.64 1.53 0.93 0.81 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 10 I 9.18 4.72 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.13 0.84 0.00 0.00 11 E 8.77 4.20 0.00 2.00 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 2.08 1.70 0.00 12 I 8.57 3.62 1.77 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 1.58 0.87 0.87 0.00 0.00 13 D 8.12 4.35 0.00 2.67 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 14 R 7.80 3.92 0.00 1.88 1.88 0.00 3.24 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 15 I 7.44 3.61 1.96 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.70 0.89 0.00 0.00 16 Q 8.38 4.13 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 17 A 8.10 3.97 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 18 L 7.78 3.86 0.00 1.70 1.91 0.90 0.73 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 19 Y 8.58 4.36 0.00 3.00 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 20 S 8.23 3.99 0.00 4.05 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 0.00 21 K 7.55 4.39 0.00 1.89 1.91 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.40 7.81 22 Q 7.40 4.65 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.79 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 23 P 0.00 4.28 0.00 2.14 1.80 0.00 3.57 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 1.95 1.87 0.00 24 K 8.02 4.21 0.00 1.81 1.88 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.55 7.81 25 L 8.16 4.30 0.00 1.77 1.75 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.97 3.58 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 1.00 0.00 0.00 0.30 0.00 0.00 27 E 7.82 4.21 0.00 2.17 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 2.40 2.40 0.00 28 R 7.89 4.40 0.00 1.94 1.96 0.00 3.13 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 29 I 7.51 4.39 1.93 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.79 1.10 0.00 0.00 30 L 8.14 4.85 0.00 1.65 1.63 0.77 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.79 4.35 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 1.31 0.00 0.00 32 K 8.52 3.99 0.00 1.84 1.94 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.57 7.81 33 N 8.15 4.38 0.00 2.86 2.92 0.00 0.00 7.11 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 34 E 8.49 4.29 0.00 2.38 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 2.56 2.64 0.00 35 Q 8.82 4.21 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.69 0.00 36 H 8.35 4.09 0.00 3.13 3.56 0.00 5.95 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 37 K 8.03 3.81 0.00 1.84 1.82 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.70 1.01 7.81 38 F 8.63 4.30 0.00 3.44 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.99 4.40 0.00 2.88 2.88 0.00 0.00 7.13 8.63 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 40 N 7.23 4.56 0.00 2.46 2.60 0.00 0.00 7.01 8.72 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 41 F 7.33 4.13 0.00 2.93 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 42 T 8.54 4.15 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 1.18 0.00 0.00 43 H 8.02 4.59 0.00 3.24 3.19 0.00 5.67 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 44 E 8.62 3.89 0.00 2.09 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 2.41 2.45 0.00 45 Q 8.22 3.98 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 46 R 7.82 3.77 0.00 1.81 1.67 0.00 3.13 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 47 K 7.40 3.05 0.00 1.64 1.74 0.00 1.43 0.00 0.00 0.67 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.53 0.35 7.81 48 I 7.63 3.75 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.85 0.91 0.00 0.00 49 E 8.06 3.94 0.00 2.03 1.79 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 2.28 2.48 0.00 50 F 8.08 4.11 0.00 2.98 3.21 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 0.00 0.00 0.00 0.00 51 L 8.14 3.82 0.00 2.02 1.90 0.74 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.40 4.10 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 53 G 8.59 3.56 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 0.00 54 R 7.99 3.76 0.00 1.77 1.80 0.00 3.14 0.00 0.00 2.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.18 0.00 55 F 8.51 3.98 0.00 3.34 3.23 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 56 A 8.25 4.47 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 57 T 7.86 4.17 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 1.07 0.00 0.00 58 K 7.85 3.34 0.00 0.79 0.74 0.00 1.14 0.00 0.00 1.15 0.00 0.00 2.67 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.00 7.81 59 E 8.01 3.96 0.00 2.18 2.23 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 2.56 2.43 0.00 60 A 8.31 3.96 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 61 F 8.34 3.88 0.00 2.82 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 62 S 8.33 4.07 0.00 4.04 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 63 K 8.20 3.93 0.00 1.89 1.81 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.73 7.81 64 A 7.91 4.11 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 65 L 7.55 3.46 0.00 0.54 1.32 0.09 0.68 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 66 G 7.52 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 61 V 8.07 3.38 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 0.82 0.00 0.00 0.93 0.00 0.00 62 A 8.26 3.92 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.21 4.23 0.00 3.19 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 64 N 8.07 4.53 0.00 2.34 2.70 0.00 0.00 6.25 6.19 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 65 D 7.73 3.76 0.00 1.64 2.35 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 66 I 7.19 3.97 1.87 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 1.18 0.64 0.91 0.00 0.00 79 D 8.31 4.45 0.00 2.63 2.68 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 80 C 8.54 4.66 0.00 2.88 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 81 Y 8.42 4.90 0.00 3.16 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 82 N 8.64 5.27 0.00 2.70 2.81 0.00 0.00 6.89 8.06 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 83 D 9.41 4.35 0.00 2.63 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 *86 G 7.72 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 87 K 7.77 4.11 0.00 1.80 1.70 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.39 7.81 88 P 0.00 4.96 0.00 2.03 2.00 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 89 K 8.86 4.49 0.00 1.41 0.74 0.00 1.34 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.12 1.02 7.81 90 I 7.98 5.03 1.74 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 1.08 0.57 0.56 0.00 0.00 91 D 8.99 4.90 0.00 2.80 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 92 Y 8.43 4.60 0.00 3.05 2.99 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 0.00 0.00 0.00 93 E 8.55 4.03 0.00 1.74 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 2.24 2.19 0.00 94 G 9.78 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 95 F 8.04 5.32 0.00 3.22 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 96 I 9.11 4.48 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.98 0.84 0.00 0.00 97 V 8.49 4.61 2.34 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 0.94 0.00 0.00 1.20 0.00 0.00 98 H 9.20 5.04 0.00 3.29 3.19 0.00 5.81 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 99 V 8.25 5.01 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 0.72 0.00 0.00 0.89 0.00 0.00 100 S 8.99 4.76 0.00 3.89 3.60 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 0.00 0.00 0.00 0.00 101 I 8.29 5.14 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.75 0.84 0.00 0.00 102 S 9.14 4.74 0.00 3.81 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 0.00 103 H 8.88 5.47 0.00 3.02 3.16 0.00 5.89 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.66 4.79 4.31 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 1.27 0.00 0.00 105 E 8.89 3.87 0.00 1.86 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 1.78 2.17 0.00 106 H 7.72 4.68 0.00 3.22 2.91 0.00 5.61 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 0.00 107 Y 7.92 5.32 0.00 2.91 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 9.22 5.23 1.22 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 0.00 0.00 109 M 8.92 5.25 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 110 S 9.18 5.31 0.00 3.86 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 0.00 111 Q 9.00 5.10 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.54 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 112 V 8.82 4.99 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 1.02 0.00 0.00 0.97 0.00 0.00 113 V 9.00 4.80 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 1.06 0.00 0.00 0.94 0.00 0.00 114 L 8.84 5.28 0.00 1.71 1.71 0.29 0.52 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 0.00 115 E 9.10 5.10 0.00 1.98 1.88 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 2.31 2.41 0.00 116 K 8.57 4.23 0.00 1.57 1.60 0.00 1.69 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.53 7.81 117 S 8.22 4.34 0.00 3.69 3.75 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 * Residues marked with a * may have inaccurate shift predictions.