NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1A H 4.8145 8.4449 117.8337 56.2482 29.9956 172.9169 1B H 4.5070 8.7510 118.9841 55.7225 29.6836 173.0688 1C H 5.0959 7.5684 115.5234 53.5420 33.4797 172.0423 1D H 4.5780 8.9038 117.0777 56.1049 28.7978 174.3078 1E F 4.8324 8.4379 119.3013 57.8675 39.9429 174.1969 2 N 4.6188 8.6057 117.4661 52.3251 38.6976 174.4675 3 L 4.7429 8.0233 123.5924 52.0348 43.7482 174.8954 4 P 4.5230 0.0000 0.0000 61.9026 32.0359 174.7767 5 P 4.3384 0.0000 0.0000 64.2312 31.8607 176.7758 6 G 3.8305 7.6286 107.9308 44.7862 0.0000 171.0897 7 N 4.4084 8.0073 115.5406 51.6713 40.3618 173.4638 8 Y 4.8599 7.8060 112.4606 57.7819 38.4627 177.0231 9 K 4.0822 8.3822 122.0839 58.7758 32.2793 177.2562 10 K 4.7510 7.5984 115.1402 53.2307 35.4657 173.8860 11 P 4.7240 0.0000 0.0000 63.3911 32.3063 175.1018 12 K 4.8872 9.4913 119.7378 55.2989 37.6551 174.7620 13 L 5.0983 9.1512 121.3556 53.3321 44.1827 176.2685 14 L 4.9964 8.6644 123.8540 53.7004 42.7894 174.4269 15 Y 4.7687 9.2774 126.9036 56.8366 40.5336 173.4935 16 C 4.2407 8.6178 128.2886 57.6008 32.5348 174.5423 17 S 3.7529 8.1561 121.7036 61.1441 62.7980 175.2097 18 N 4.1597 8.0884 118.8465 56.1796 38.4393 175.3469 19 G 3.9451 7.2973 101.2996 44.2729 0.0000 171.9869 20 G 3.2167 7.4782 106.3100 46.8098 0.0000 173.5764 21 H 4.8702 7.3585 114.7172 53.6866 32.2290 174.3952 22 F 5.2461 8.8099 120.3409 56.0669 40.7114 175.2579 23 L 4.6035 9.1202 126.1820 55.3710 43.2021 175.5748 24 R 4.8837 9.5472 126.2994 54.6338 33.4611 173.9858 25 I 4.7330 8.2524 127.2551 59.4191 38.3638 175.7159 26 L 4.1058 9.2901 128.7674 53.4756 42.2449 177.0260 27 P 4.1912 0.0000 0.0000 65.6284 31.2957 177.2047 28 D 4.5099 7.9733 114.8199 53.5309 39.8812 177.0670 29 G 4.2065 8.5661 110.1072 45.3470 0.0000 173.8384 30 T 4.3575 8.3252 117.4704 63.1438 69.1449 173.6743 31 V 4.9513 8.0986 124.3450 61.1595 34.4061 174.3839 32 D 4.5716 8.7687 126.1665 52.8883 42.5360 174.0877 33 G 4.5638 8.8812 105.0470 45.3495 0.0000 172.4511 34 T 4.9906 8.8268 114.7902 60.4291 70.8598 174.8924 35 R 4.1001 8.9310 125.2476 57.3786 30.8845 176.3381 36 D 4.6418 8.2540 118.9298 53.2106 40.1627 176.8268 37 R 3.6336 8.6464 126.9589 58.4121 30.1877 178.1067 38 S 4.3708 9.0022 111.8444 58.2753 63.7108 174.1292 39 D 4.3407 8.0599 122.0369 55.2024 41.1933 176.0048 40 Q 4.3105 8.4862 123.2398 56.8419 29.3270 175.8517 41 H 4.9138 9.4628 116.4475 55.4341 29.0244 175.5040 42 I 4.6228 7.4112 111.1577 59.9127 38.8229 175.2952 43 Q 4.2619 7.8644 121.9589 55.7269 29.5726 174.8310 44 L 5.2558 9.2059 124.5014 52.7928 45.8564 175.3876 45 Q 4.7555 9.1720 123.6644 54.5102 30.9384 174.4501 46 L 5.4417 8.8719 126.5145 53.2672 43.5588 176.1782 47 S 4.6064 8.1697 114.5911 56.9853 66.6078 172.4599 48 A 4.8759 8.4838 122.6845 52.1475 20.9261 175.3291 49 E 4.0672 9.0044 121.6547 56.8911 28.6478 178.6463 50 S 4.5690 5.8100 115.3997 56.8895 64.9566 173.5479 51 V 3.8147 8.1617 121.4793 64.6641 31.6281 176.3079 52 G 3.9432 9.1388 114.4229 45.3654 0.0000 171.9560 53 E 5.1156 8.2645 120.1748 54.7796 31.8076 175.6202 54 V 4.9235 8.9191 116.4576 59.9401 36.8296 173.9177 55 Y 5.1650 8.9345 120.2945 56.5808 40.9826 175.2917 56 I 4.4109 8.6152 122.7149 59.6593 40.1330 173.9145 57 K 4.6310 8.8618 129.4985 54.1757 34.7497 175.1513 58 S 4.4666 8.7736 123.1726 58.2106 62.5765 174.7732 59 T 3.7950 8.5177 119.1230 64.9156 68.5776 175.7484 60 E 4.0550 8.3720 122.2982 58.4360 29.8647 177.0925 61 T 4.3046 8.0783 106.3468 60.7210 70.1911 175.5182 62 G 3.7985 8.3876 110.2620 45.2536 0.0000 173.7960 63 Q 4.3481 7.4627 119.1701 56.1093 30.2922 174.6313 64 Y 4.8491 8.9489 119.5272 55.9247 40.6923 175.2065 65 L 4.3900 9.0338 126.1193 55.3769 43.5046 175.6015 66 A 5.1062 8.7430 126.0246 50.7064 23.2337 174.3883 67 M 5.4057 8.6819 119.4515 53.8625 34.8697 175.6079 68 D 5.2467 9.5301 125.9944 51.7307 41.1468 177.1280 69 T 4.1566 8.5208 108.4785 64.1656 68.6591 174.5987 70 D 4.5524 8.3798 120.3195 54.2290 41.5498 177.0563 71 G 3.2033 8.5997 108.7055 45.1431 0.0000 172.7895 72 L 4.7083 7.9836 119.7137 53.0855 42.9865 176.1289 73 L 5.0718 8.3005 122.6971 55.0704 42.8879 175.4702 74 Y 4.9623 9.1364 119.3018 56.1160 42.0474 173.5204 75 G 4.2669 8.8673 108.3785 45.2478 0.0000 173.2827 76 S 5.0631 9.0682 121.4850 56.8586 63.9665 175.3672 77 Q 4.4258 9.0334 124.9279 58.1273 28.9433 176.4386 78 T 4.6785 7.6560 106.2039 58.9452 71.5337 172.5313 79 P 4.0344 0.0000 0.0000 61.2423 30.3706 174.3385 80 N 5.2271 7.8753 124.9975 50.9710 40.4814 175.0046 81 E 3.9697 8.7457 114.3678 59.7999 29.7583 178.2123 82 E 4.1845 8.9461 118.0330 57.6037 29.7738 177.3745 83 C 5.0216 7.9397 115.4295 58.9465 29.1263 173.4548 84 L 4.1619 6.9493 120.7081 53.7586 42.6770 175.8892 85 F 5.0200 8.7626 121.6245 55.4893 43.3955 174.4751 86 L 4.8248 9.3042 123.3882 53.8974 42.5101 175.5261 87 E 4.5163 8.8201 126.8646 55.1989 30.2238 175.7162 88 R 4.8246 8.4504 125.3591 54.0305 34.6509 174.7994 89 L 4.7669 8.7452 124.0486 55.3108 43.1439 175.7986 90 E 4.6738 9.2178 124.4159 55.4080 33.5906 174.8145 91 E 3.9773 9.8297 123.5104 57.4261 27.3247 174.6019 92 N 4.3573 8.7402 111.3589 54.2803 36.2876 173.7612 93 H 4.8082 8.6002 117.0064 57.6850 36.1830 173.3778 94 Y 4.6900 7.7862 116.0744 57.3274 40.3425 173.6019 95 N 5.5972 9.5654 118.0029 51.9719 41.2884 174.6454 96 T 5.2547 8.8577 112.9525 60.1333 72.9036 172.6049 97 Y 5.0648 8.6260 119.3027 56.6127 41.5466 174.1492 98 I 4.6467 8.4871 125.9212 59.0797 39.6290 175.4184 99 S 3.9585 8.8408 122.2304 58.7482 62.3990 173.9855 100 K 3.9306 8.7386 129.3676 59.4337 32.2936 178.5899 101 K 3.7094 7.9345 118.0237 59.2928 32.1313 176.8975 102 H 4.7330 8.2835 113.7416 54.3940 29.3235 176.4785 103 A 3.9142 7.7632 125.9099 55.3200 18.4998 180.9197 104 E 3.7448 7.9825 113.0139 58.7913 29.5891 178.3966 105 K 4.0514 7.6490 117.1256 55.7979 32.6851 175.9357 106 N 3.8828 7.8426 116.1467 53.9207 36.5280 174.6766 107 W 5.1901 7.6719 117.5035 55.8153 30.9749 177.2140 108 F 5.4378 9.1776 123.8452 55.4853 41.3246 175.6054 109 V 3.9836 9.0160 121.5283 63.0318 32.5824 175.2045 110 G 4.3215 8.4509 112.2574 45.5881 0.0000 171.6932 111 I 4.9375 8.1269 121.5593 58.8364 40.0237 176.3104 112 K 4.1216 8.9895 126.9117 55.9164 32.5257 178.3327 113 K 3.8982 8.4920 120.1461 59.0087 31.9984 177.6704 114 N 4.6248 8.1019 114.5137 52.3855 37.7111 175.9971 115 G 3.5470 8.2919 108.4496 45.3196 0.0000 173.1540 116 S 4.9349 8.3739 117.0290 56.9800 64.6561 173.9560 117 C 4.7543 8.5878 121.5193 59.8855 28.6985 173.6724 118 K 4.3248 8.7514 121.4632 56.1570 33.0054 176.7701 119 R 4.4779 8.2952 120.8682 54.4472 32.0534 177.6438 120 G 3.3812 8.9266 113.1335 48.2838 0.0000 174.1395 121 P 4.3586 0.0000 0.0000 64.2627 31.3943 177.2834 122 R 4.4812 7.8181 116.2816 55.8553 30.2080 175.9362 123 T 5.2215 7.4940 108.0679 59.7410 71.2007 173.2447 124 H 4.7728 7.9247 115.0096 54.8497 30.6202 172.9746 125 Y 4.0355 8.7518 118.7409 59.8869 38.0552 176.9193 126 G 4.1236 9.0181 111.6186 45.6484 0.0000 174.0288 127 Q 4.2367 7.5845 118.5221 55.1645 29.8190 177.1503 128 K 3.8334 8.3054 119.0074 58.7888 32.8132 179.4588 129 A 3.7985 7.8183 121.7851 54.5448 18.3218 178.5799 130 I 4.4564 7.1452 106.1053 60.7796 38.5699 175.5042 131 L 4.2151 7.2202 123.4054 54.2868 42.4477 175.9912 132 F 5.4372 9.5076 122.3501 55.6232 43.5805 174.2109 133 L 5.3702 9.4495 120.7171 52.4207 45.0584 174.3282 134 P 5.1052 0.0000 0.0000 62.7753 32.4399 175.6849 135 L 5.1083 9.3762 122.5613 51.9018 45.9212 174.3319 136 P 4.6279 0.0000 0.0000 62.6989 32.2908 176.7624 137 V 3.7364 8.2058 113.5468 61.8697 31.5141 176.2276 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 1A H 8.44 4.81 0.00 3.10 3.45 0.00 5.67 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 1B H 8.75 4.51 0.00 3.23 3.21 0.00 5.64 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 1C H 7.57 5.10 0.00 3.12 3.25 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 1D H 8.90 4.58 0.00 3.31 3.40 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 1E F 8.44 4.83 0.00 2.94 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 8.61 4.62 0.00 3.00 2.79 0.00 0.00 6.91 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 8.02 4.74 0.00 1.49 1.43 0.65 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.52 0.00 2.17 2.21 0.00 3.71 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 2.00 1.99 0.00 5 P 0.00 4.34 0.00 2.18 2.19 0.00 3.75 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 7.63 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 7 N 8.01 4.41 0.00 2.56 2.60 0.00 0.00 5.78 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 7.81 4.86 0.00 3.08 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 9 K 8.38 4.08 0.00 1.88 1.91 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.51 7.81 10 K 7.60 4.75 0.00 1.71 1.69 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.39 7.81 11 P 0.00 4.72 0.00 2.07 2.06 0.00 3.74 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 1.99 2.00 0.00 12 K 9.49 4.89 0.00 1.71 1.77 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.46 7.81 13 L 9.15 5.10 0.00 1.71 1.72 0.43 0.67 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 14 L 8.66 5.00 0.00 1.60 1.66 0.41 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.28 4.77 0.00 3.18 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 16 C 8.62 4.24 0.00 2.23 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 0.00 0.00 0.00 17 S 8.16 3.75 0.00 3.81 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 18 N 8.09 4.16 0.00 2.57 2.81 0.00 0.00 6.69 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 7.30 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 20 G 7.48 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 0.00 0.00 0.00 21 H 7.36 4.87 0.00 2.93 3.22 0.00 5.61 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 8.81 5.25 0.00 3.04 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 23 L 9.12 4.60 0.00 1.88 1.56 0.98 0.60 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 9.55 4.88 0.00 1.91 2.06 0.00 3.23 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 25 I 8.25 4.73 1.83 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 0.72 0.88 0.00 0.00 26 L 9.29 4.11 0.00 1.82 1.57 0.92 -0.09 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 4.19 0.00 1.99 2.08 0.00 3.51 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.84 0.00 28 D 7.97 4.51 0.00 2.78 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 8.57 4.21 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 0.00 0.00 0.00 30 T 8.33 4.36 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 1.22 0.00 0.00 31 V 8.10 4.95 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 0.83 0.00 0.00 0.91 0.00 0.00 32 D 8.77 4.57 0.00 2.90 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 8.88 4.56 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 34 T 8.83 4.99 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 1.35 0.00 0.00 35 R 8.93 4.10 0.00 1.88 2.01 0.00 3.20 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.39 0.00 36 D 8.25 4.64 0.00 2.83 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 37 R 8.65 3.63 0.00 1.85 1.88 0.00 3.26 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.61 0.00 38 S 9.00 4.37 0.00 3.88 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 8.06 4.34 0.00 2.71 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 40 Q 8.49 4.31 0.00 1.85 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.03 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 41 H 9.46 4.91 0.00 3.29 3.47 0.00 5.59 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 42 I 7.41 4.62 1.91 0.00 0.00 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 1.55 1.29 1.04 0.00 0.00 43 Q 7.86 4.26 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 44 L 9.21 5.26 0.00 1.47 1.44 0.83 0.61 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 45 Q 9.17 4.76 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 46 L 8.87 5.44 0.00 1.75 1.30 0.92 1.07 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 47 S 8.17 4.61 0.00 3.89 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 8.48 4.88 1.30 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 0.00 0.00 0.00 49 E 9.00 4.07 0.00 1.72 1.71 0.00 0.00 0.00 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 2.33 0.00 50 S 5.81 4.57 0.00 4.24 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 51 V 8.16 3.81 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 0.98 0.00 0.00 1.03 0.00 0.00 52 G 9.14 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 53 E 8.26 5.12 0.00 2.08 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 54 V 8.92 4.92 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 0.55 0.00 0.00 1.17 0.00 0.00 55 Y 8.93 5.16 0.00 2.93 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 56 I 8.62 4.41 1.75 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.64 0.70 0.00 0.00 57 K 8.86 4.63 0.00 1.50 1.58 0.00 1.07 0.00 0.00 1.09 0.00 0.00 2.70 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.98 0.61 7.81 58 S 8.77 4.47 0.00 3.84 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 59 T 8.52 3.79 4.21 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 1.18 0.00 0.00 60 E 8.37 4.06 0.00 1.99 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 2.26 2.40 0.00 61 T 8.08 4.30 4.21 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 1.21 0.00 0.00 62 G 8.39 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 7.46 4.35 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 64 Y 8.95 4.85 0.00 2.94 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 65 L 9.03 4.39 0.00 1.62 1.49 0.80 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.74 5.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.68 5.41 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 68 D 9.53 5.25 0.00 3.01 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.52 4.16 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 1.34 0.00 0.00 70 D 8.38 4.55 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 8.60 3.20 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 0.00 0.00 0.00 0.00 72 L 7.98 4.71 0.00 2.02 1.61 0.87 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.30 5.07 0.00 1.56 1.60 0.89 0.84 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 74 Y 9.14 4.96 0.00 2.95 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 8.87 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 76 S 9.07 5.06 0.00 3.75 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 9.03 4.43 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.66 4.68 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 1.23 0.00 0.00 79 P 0.00 4.03 0.00 1.05 0.49 0.00 3.48 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.10 0.00 80 N 7.88 5.23 0.00 2.94 2.98 0.00 0.00 5.88 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 8.75 3.97 0.00 2.10 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 2.36 2.34 0.00 82 E 8.95 4.18 0.00 2.18 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 0.00 2.39 2.48 0.00 83 C 7.94 5.02 0.00 3.24 3.20 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 0.00 84 L 6.95 4.16 0.00 1.40 1.24 0.73 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.76 5.02 0.00 3.14 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 86 L 9.30 4.82 0.00 1.50 1.58 0.87 0.52 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 87 E 8.82 4.52 0.00 2.12 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 2.17 1.86 0.00 88 R 8.45 4.82 0.00 1.77 1.80 0.00 3.06 0.00 0.00 2.87 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 89 L 8.75 4.77 0.00 1.52 1.69 1.02 0.82 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 90 E 9.22 4.67 0.00 2.22 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 2.30 2.45 0.00 91 E 9.83 3.98 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 2.29 2.39 0.00 92 N 8.74 4.36 0.00 2.87 2.92 0.00 0.00 6.83 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 8.60 4.81 0.00 2.85 3.01 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 7.79 4.69 0.00 3.01 3.13 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 95 N 9.57 5.60 0.00 3.05 2.66 0.00 0.00 6.96 6.82 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 96 T 8.86 5.25 4.54 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 0.00 0.00 0.00 1.36 0.00 0.00 97 Y 8.63 5.06 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 98 I 8.49 4.65 1.67 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.57 0.61 0.00 0.00 99 S 8.84 3.96 0.00 4.10 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 0.00 100 K 8.74 3.93 0.00 1.62 1.61 0.00 1.59 0.00 0.00 1.43 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.29 7.81 101 K 7.93 3.71 0.00 1.74 1.64 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.17 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.02 1.31 7.81 102 H 8.28 4.73 0.00 3.20 2.44 0.00 5.70 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 7.76 3.91 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 0.00 104 E 7.98 3.74 0.00 1.81 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 2.13 2.11 0.00 105 K 7.65 4.05 0.00 0.79 1.08 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.50 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.98 0.84 7.81 106 N 7.84 3.88 0.00 2.94 3.00 0.00 0.00 6.90 7.22 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 0.00 107 W 7.67 5.19 0.00 3.22 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 0.00 108 F 9.18 5.44 0.00 2.84 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 0.00 109 V 9.02 3.98 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 0.67 0.00 0.00 0.47 0.00 0.00 110 G 8.45 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 0.00 111 I 8.13 4.94 1.73 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.88 0.82 0.00 0.00 112 K 8.99 4.12 0.00 2.01 1.67 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.47 7.81 113 K 8.49 3.90 0.00 1.70 1.85 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.53 7.81 114 N 8.10 4.62 0.00 2.78 2.88 0.00 0.00 6.20 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 8.29 3.55 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 0.00 116 S 8.37 4.93 0.00 3.89 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 0.00 117 C 8.59 4.75 0.00 2.85 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 0.00 118 K 8.75 4.32 0.00 1.59 1.69 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.27 7.81 119 R 8.30 4.48 0.00 1.72 1.60 0.00 3.06 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 120 G 8.93 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 0.00 121 P 0.00 4.36 0.00 1.96 2.16 0.00 2.96 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 122 R 7.82 4.48 0.00 1.85 1.91 0.00 3.29 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 123 T 7.49 5.22 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 124 H 7.92 4.77 0.00 3.44 3.53 0.00 5.67 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 8.75 4.04 0.00 3.16 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 9.02 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 0.00 127 Q 7.58 4.24 0.00 1.85 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.76 0.00 0.00 0.00 0.00 0.00 2.12 1.98 0.00 128 K 8.31 3.83 0.00 1.63 1.64 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.28 7.81 129 A 7.82 3.80 1.17 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 0.00 130 I 7.15 4.46 1.67 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.14 0.58 0.00 0.00 131 L 7.22 4.22 0.00 1.03 0.29 0.50 0.83 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 0.00 132 F 9.51 5.44 0.00 3.36 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 0.00 133 L 9.45 5.37 0.00 1.90 1.69 1.16 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.11 0.00 2.18 2.21 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 135 L 9.38 5.11 0.00 1.64 1.59 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.63 0.00 2.07 2.06 0.00 3.78 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 1.98 2.00 0.00 137 V 8.21 3.74 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 0.65 0.00 0.00 0.92 0.00 0.00