NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4277 8.3044 118.1954 55.2452 32.5342 174.4966 1 V 4.1876 7.8683 118.7207 60.8962 34.0755 173.3197 2 L 4.2247 8.3220 127.7935 54.2579 43.3658 177.0373 3 S 4.5846 8.7494 117.7595 57.5706 65.6405 175.0892 4 E 4.3389 8.7414 121.5014 59.3363 29.3423 178.6900 5 G 3.6429 8.1088 105.4273 47.4174 0.0000 175.5874 6 E 3.8771 7.8786 120.7283 59.2192 29.4844 179.0676 7 W 4.4081 7.9772 118.9058 60.0737 29.1748 178.6411 8 Q 4.1081 8.4880 117.8635 59.1103 28.0931 178.7468 9 L 4.1035 7.9729 119.9252 57.7800 41.5747 179.8644 10 V 3.7952 7.8519 118.2816 65.7506 31.6136 177.6458 11 L 4.4519 8.5193 117.7631 56.5093 41.2123 178.5753 12 H 4.3444 8.3023 119.2180 59.0409 29.9526 177.2904 13 V 3.4093 7.8064 120.7082 63.8946 31.4784 178.1274 14 W 3.9895 8.5365 129.2474 60.0766 30.2750 177.7810 15 A 3.9817 7.9722 120.1754 54.5653 17.9770 179.6485 16 K 3.8975 7.3796 117.0926 59.5223 32.2096 179.2822 17 V 2.8447 7.0049 118.4838 66.0563 30.9926 177.6450 18 E 3.9020 7.4457 114.8860 57.9860 29.2521 178.5075 19 A 4.2481 7.5089 120.9314 53.6230 20.0519 177.5045 20 D 4.6134 7.7591 116.8070 51.8575 42.1784 175.5788 21 V 3.4484 7.9836 122.9226 65.5055 32.0464 176.9028 22 A 4.0728 7.9863 120.1926 54.7883 18.2166 179.8127 23 G 3.8319 8.1659 105.7393 47.8234 0.0000 175.7067 24 H 4.0887 8.2044 119.4614 58.3496 28.7174 177.9576 25 G 3.7011 8.3178 107.8184 47.8901 0.0000 175.2527 26 Q 3.8073 8.1309 121.8255 58.9932 29.0628 177.8352 27 D 4.3261 7.8758 119.7404 57.5971 40.8435 179.0930 28 I 3.6220 7.6637 119.6904 64.6202 37.1496 178.6674 29 L 3.4205 7.6721 119.4083 57.3578 41.2261 179.7602 30 I 3.6930 7.5877 120.0297 64.1209 37.0579 178.2565 31 R 3.8675 8.0251 119.7219 59.0576 29.8171 178.4133 32 L 3.8949 7.9522 120.4711 58.2661 41.6548 178.9751 33 F 4.6041 7.7944 117.8062 60.5080 38.5621 177.9722 34 K 4.0061 8.3284 117.5797 59.6146 32.0338 179.2347 35 S 4.3511 8.0607 114.2011 60.4802 63.7575 174.6978 36 H 4.6599 8.4061 121.1306 52.4061 29.4725 172.2230 37 P 4.7386 0.0000 0.0000 64.4810 31.1187 177.8449 38 E 4.1294 8.2384 116.4159 59.3704 29.3709 179.0829 39 T 3.8548 8.3399 111.3454 64.3403 68.9304 176.3907 40 L 3.7454 7.9572 123.3534 57.7700 41.7929 178.3974 41 E 4.1939 7.8261 117.2445 58.4314 29.4058 178.6856 42 K 4.4000 8.2604 118.1747 57.2984 32.4124 176.8072 43 F 4.4326 8.1589 118.8905 56.2021 38.5384 176.3389 44 D 4.3730 8.5137 126.6661 56.7503 41.0032 178.3135 45 R 3.9741 7.6448 117.2826 57.9091 30.5840 177.2178 46 F 4.8385 7.4824 115.0934 58.6050 40.3798 178.7583 47 K 4.3912 8.3093 122.2542 59.5319 32.3089 176.7823 48 H 4.3543 8.2593 111.6115 56.8895 28.5972 175.2318 49 L 4.1177 7.4298 122.0241 54.9472 41.7162 176.8639 50 K 4.2504 9.4323 124.0168 57.5735 33.1453 176.8533 51 T 4.7235 7.2900 107.4941 58.9964 73.2841 174.2074 52 E 3.8959 8.5942 120.0681 59.0298 29.5917 178.4025 53 A 3.9551 7.8890 120.6660 55.0346 18.3318 179.1522 54 E 3.8778 7.8487 115.8402 59.9426 29.9907 179.0356 55 M 4.1302 8.1652 118.6772 58.5531 31.8053 178.9963 56 K 3.9189 8.4111 117.3714 59.3656 32.3500 178.7904 57 A 4.3620 7.6532 118.7326 52.5658 18.8991 177.3185 58 S 4.1673 7.5694 113.2025 57.8116 62.6862 174.3069 59 E 3.9628 8.9620 129.3940 59.5062 29.5151 178.1751 60 D 4.4635 8.1747 118.4835 57.2288 40.9807 178.2183 61 L 3.2766 8.0735 120.9093 57.9936 41.8830 178.9363 62 K 3.8630 7.8090 118.9061 59.4635 32.0639 178.8488 63 K 4.0028 8.0074 118.7424 59.8019 32.0137 178.8632 64 H 4.3538 8.5619 118.6259 59.1357 29.6964 177.5633 65 G 3.5722 8.1629 107.7578 47.4405 0.0000 176.0198 66 V 3.5889 7.5144 120.6577 66.0912 31.5697 178.0517 67 T 3.8701 7.8885 115.5182 66.7487 68.3800 176.4119 68 V 3.6048 7.7741 119.7707 66.3574 31.5446 178.1658 69 L 4.2632 8.2187 118.4968 57.8155 41.4319 179.6496 70 T 3.9446 8.2438 115.8767 66.4728 68.0561 176.3741 71 A 3.9563 7.9988 122.6236 55.1723 18.3866 179.2689 72 L 3.7233 7.9971 118.8963 58.1746 42.0590 179.3475 73 G 3.4224 8.3196 105.3145 47.8882 0.0000 175.5626 74 A 4.0649 7.7352 121.9034 54.4813 18.7000 179.5322 75 I 3.8595 7.2309 118.3790 64.4298 37.3011 178.4975 76 L 3.9885 7.8335 120.0439 57.5963 41.1692 179.5963 77 K 3.9867 7.6604 117.1634 58.6366 32.2402 179.0941 78 K 3.9279 7.8329 118.3979 56.6410 31.8601 177.1771 79 K 2.0000 8.1568 117.3682 56.8532 29.7575 175.9561 80 G 4.1289 8.1281 107.6317 46.1604 0.0000 175.1571 81 H 4.5156 7.5712 118.7693 54.5386 27.1716 174.5048 82 H 5.2240 7.4025 112.8172 54.0102 29.8401 176.7665 83 E 3.8605 8.2361 119.6952 59.7479 29.8133 179.4182 84 A 3.9946 8.0999 120.1856 54.8580 19.1693 178.8486 85 E 4.0588 8.2657 116.6352 59.6424 29.4339 179.2453 86 L 3.8480 8.2645 120.0062 57.5611 42.1003 178.8183 87 K 3.9890 7.8000 118.6643 59.0563 32.0645 177.3565 88 P 4.3170 0.0000 0.0000 65.7183 31.1906 178.2146 89 L 4.0056 7.4814 119.1835 58.0432 42.0565 178.7647 90 A 4.2312 8.3798 121.0886 55.1504 18.3179 179.4323 91 Q 3.9069 8.3494 118.5698 59.1575 29.0261 178.5214 92 S 4.0578 8.1408 115.4549 61.6964 63.2720 176.2512 93 H 4.0744 8.5971 119.6237 58.1681 28.5525 177.5443 94 A 2.8232 8.1071 122.6999 53.9177 18.0463 179.2566 95 T 3.9165 7.3200 112.6232 65.2625 69.4633 176.4657 96 K 3.9598 7.4690 119.6074 59.5144 32.6430 177.5358 97 H 4.2959 7.9006 114.7383 56.6536 29.1747 174.5603 98 K 3.3886 7.4714 117.1254 56.3974 27.8947 173.8707 99 I 4.4407 8.2245 120.0141 58.3923 39.5286 174.4137 100 P 4.5067 0.0000 0.0000 62.1513 32.4724 176.9762 101 I 3.5908 8.7203 122.6047 64.8465 37.1088 178.0990 102 K 3.6557 7.9981 119.5931 60.0988 31.9104 177.8735 103 Y 4.1397 7.9930 116.5768 60.9166 37.8111 178.3617 104 L 4.2277 7.8940 119.6606 57.5724 41.7717 179.1509 105 E 4.0335 8.0603 118.8897 59.4185 29.4515 179.1582 106 F 4.4939 7.7642 117.5142 60.8263 38.9449 177.4641 107 I 3.9912 8.1211 117.7695 63.5589 37.7814 178.1098 108 S 4.2093 7.9861 116.1055 61.5939 62.6122 176.0914 109 E 4.0532 8.4113 121.8248 59.2008 29.3571 178.7323 110 A 4.0653 7.9655 120.5036 54.8376 18.4315 179.7832 111 I 3.7216 7.9223 118.6265 64.7128 37.2542 178.7070 112 I 3.8730 7.9043 120.7347 64.5080 36.8834 178.0197 113 H 4.1304 8.5377 119.3183 59.3559 29.6727 177.6066 114 V 3.5632 7.9764 120.0693 65.9184 31.2584 178.0456 115 L 3.8112 7.8118 118.8695 57.6947 41.0375 178.9153 116 H 4.3387 7.8060 117.6421 59.4436 29.8963 177.2771 117 S 4.1865 7.9929 116.1100 61.1521 62.7543 176.1590 118 R 4.1586 7.9156 119.2916 56.9979 31.2357 176.2177 119 H 5.0051 8.2719 116.3776 53.7639 29.6882 173.1324 120 P 4.3019 0.0000 0.0000 65.9587 31.4649 179.1168 121 G 3.6510 8.1536 106.4809 47.5382 0.0000 173.6846 122 N 5.1071 8.3301 115.6288 52.8959 38.9909 174.5044 123 F 5.0040 7.9022 120.2391 56.6216 39.9757 175.5964 124 G 3.8734 8.0901 107.0428 44.1601 0.0000 172.9288 125 A 3.8807 8.4195 120.5047 55.2309 18.2918 179.7471 126 D 4.1602 7.9270 116.5788 57.5467 41.0635 178.7110 127 A 3.9513 7.8135 120.7125 55.1210 18.2978 179.2977 128 Q 3.1716 7.9348 118.5567 58.6627 28.9809 178.6083 129 G 3.4518 8.0322 106.9319 47.6028 0.0000 175.6093 130 A 3.8726 7.9787 123.4281 54.9462 18.3755 179.4289 131 M 3.9636 8.1640 116.7788 58.8274 32.3019 177.9359 132 N 4.3318 8.3980 117.4176 56.5947 38.9981 176.7602 133 K 3.8696 8.1297 120.8886 59.3391 32.2510 178.7411 134 A 3.8233 8.0333 121.3003 54.7799 18.1414 179.5804 135 L 4.1207 8.1396 117.7107 57.5950 41.7318 179.1304 136 E 3.9556 8.4922 119.0366 59.4448 29.4153 178.8025 137 L 3.9225 8.1182 120.3474 58.4113 42.0842 178.4023 138 F 4.1185 8.3796 120.1136 61.8028 39.1694 177.3581 139 R 3.4875 8.3439 117.4588 58.9557 29.9273 178.9993 140 K 3.8189 8.1873 119.4580 59.6341 32.2180 178.6210 141 D 4.2975 8.1617 119.1597 57.2950 40.6721 178.7195 142 I 3.3741 7.7531 120.4233 64.3512 37.0424 178.2772 143 A 3.7616 7.9150 121.4580 55.0702 18.1999 179.5721 144 A 3.9827 7.7899 119.2113 55.0756 18.4551 180.0706 145 K 3.9952 7.9898 117.2013 59.6308 32.0515 178.8803 146 Y 4.4143 8.3956 117.5948 61.2842 37.8726 178.7076 147 K 3.8934 8.1338 120.1174 59.9177 32.0729 178.6326 148 E 4.0694 7.9746 116.6683 58.9256 29.4196 178.5704 149 L 4.3729 7.8301 117.2946 55.0545 42.0387 177.6174 150 G 4.0739 7.9566 107.2629 45.3451 0.0000 173.2608 151 Y 4.2207 7.8666 121.0357 58.7317 40.6457 176.8852 152 Q 3.1494 7.5028 119.5222 57.0066 27.2755 174.4826 153 G 2.5449 6.8350 114.7514 45.3351 0.0000 173.2571 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 0 M 8.30 4.43 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 1 V 7.87 4.19 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 0.87 0.00 0.00 0.96 0.00 0.00 2 L 8.32 4.22 0.00 0.96 0.72 0.61 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.75 4.58 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.74 4.34 0.00 2.20 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 2.51 0.00 5 G 8.11 3.64 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 0.00 0.00 0.00 6 E 7.88 3.88 0.00 1.87 1.72 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 2.22 2.25 0.00 7 W 7.98 4.41 0.00 3.53 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 8 Q 8.49 4.11 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.46 2.78 0.00 9 L 7.97 4.10 0.00 1.88 1.76 0.89 0.86 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 10 V 7.85 3.80 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 1.18 0.00 0.00 0.92 0.00 0.00 11 L 8.52 4.45 0.00 1.85 1.80 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.30 4.34 0.00 3.44 3.51 0.00 5.77 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 13 V 7.81 3.41 2.42 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 1.03 0.00 0.00 0.93 0.00 0.00 14 W 8.54 3.99 0.00 3.63 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 15 A 7.97 3.98 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 16 K 7.38 3.90 0.00 1.37 1.63 0.00 1.64 0.00 0.00 1.46 0.00 0.00 2.67 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.44 7.81 17 V 7.00 2.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.43 0.00 0.00 18 E 7.45 3.90 0.00 1.96 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 2.14 2.01 0.00 19 A 7.51 4.25 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 20 D 7.76 4.61 0.00 2.70 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.98 3.45 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.84 0.00 0.00 22 A 7.99 4.07 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 23 G 8.17 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 24 H 8.20 4.09 0.00 3.11 3.26 0.00 5.84 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 25 G 8.32 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 26 Q 8.13 3.81 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 27 D 7.88 4.33 0.00 2.90 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 28 I 7.66 3.62 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.75 0.89 0.00 0.00 29 L 7.67 3.42 0.00 1.49 1.05 0.82 0.69 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 30 I 7.59 3.69 1.87 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 1.39 0.57 0.88 0.00 0.00 31 R 8.03 3.87 0.00 1.85 2.17 0.00 3.01 0.00 0.00 2.98 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 32 L 7.95 3.89 0.00 1.73 1.42 1.07 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.79 4.60 0.00 3.17 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 34 K 8.33 4.01 0.00 1.65 1.83 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.67 7.81 35 S 8.06 4.35 0.00 3.78 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 36 H 8.41 4.66 0.00 2.89 2.95 0.00 5.62 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 37 P 0.00 4.74 0.00 2.15 2.09 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 38 E 8.24 4.13 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.53 0.00 39 T 8.34 3.85 4.42 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 0.89 0.00 0.00 40 L 7.96 3.75 0.00 1.39 1.76 0.04 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.83 4.19 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 42 K 8.26 4.40 0.00 1.82 1.72 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.73 1.92 7.81 43 F 8.16 4.43 0.00 3.31 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 44 D 8.51 4.37 0.00 2.60 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 45 R 7.64 3.97 0.00 0.70 1.32 0.00 3.07 0.00 0.00 2.90 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.44 0.00 46 F 7.48 4.84 0.00 2.85 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 47 K 8.31 4.39 0.00 1.91 1.83 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.46 7.81 48 H 8.26 4.35 0.00 3.35 3.47 0.00 5.58 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 49 L 7.43 4.12 0.00 1.53 1.57 0.86 0.66 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 50 K 9.43 4.25 0.00 1.77 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.53 7.81 51 T 7.29 4.72 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 1.20 0.00 0.00 52 E 8.59 3.90 0.00 2.04 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 0.00 2.35 2.36 0.00 53 A 7.89 3.96 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 54 E 7.85 3.88 0.00 2.22 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 2.35 2.35 0.00 55 M 8.17 4.13 0.00 2.04 2.30 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.59 0.00 56 K 8.41 3.92 0.00 1.90 1.85 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.44 1.42 7.81 57 A 7.65 4.36 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 58 S 7.57 4.17 0.00 3.92 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 59 E 8.96 3.96 0.00 2.14 1.96 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 2.40 2.48 0.00 60 D 8.17 4.46 0.00 3.07 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 61 L 8.07 3.28 0.00 1.23 1.61 0.00 0.32 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 62 K 7.81 3.86 0.00 1.86 1.92 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.01 4.00 0.00 2.07 1.90 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.72 7.81 64 H 8.56 4.35 0.00 3.66 3.54 0.00 5.78 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 65 G 8.16 3.57 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 0.00 0.00 0.00 66 V 7.51 3.59 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 1.04 0.00 0.00 0.96 0.00 0.00 67 T 7.89 3.87 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 1.27 0.00 0.00 68 V 7.77 3.60 2.24 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 1.10 0.00 0.00 1.02 0.00 0.00 69 L 8.22 4.26 0.00 1.79 1.87 0.93 0.85 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 70 T 8.24 3.94 4.43 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 1.25 0.00 0.00 71 A 8.00 3.96 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 72 L 8.00 3.72 0.00 1.64 1.64 0.28 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.32 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 0.00 0.00 0.00 74 A 7.74 4.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.23 3.86 1.84 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.97 0.85 0.00 0.00 76 L 7.83 3.99 0.00 1.23 1.56 -0.10 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.66 3.99 0.00 1.67 1.81 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.48 1.51 7.81 78 K 7.83 3.93 0.00 1.91 1.74 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.78 7.81 79 K 8.16 2.00 0.00 1.33 0.74 0.00 1.47 0.00 0.00 1.42 0.00 0.00 2.71 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.39 0.70 7.81 80 G 8.13 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 81 H 7.57 4.52 0.00 3.18 3.33 0.00 5.79 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 82 H 7.40 5.22 0.00 3.31 3.43 0.00 5.68 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 83 E 8.24 3.86 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 84 A 8.10 3.99 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 85 E 8.27 4.06 0.00 2.27 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 86 L 8.26 3.85 0.00 2.12 1.69 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.80 3.99 0.00 2.05 1.85 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.48 7.81 88 P 0.00 4.32 0.00 2.30 2.34 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 89 L 7.48 4.01 0.00 1.88 1.94 0.98 1.16 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 A 8.38 4.23 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.35 3.91 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 92 S 8.14 4.06 0.00 4.02 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 93 H 8.60 4.07 0.00 3.59 3.57 0.00 5.80 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 94 A 8.11 2.82 0.70 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 95 T 7.32 3.92 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 1.11 0.00 0.00 96 K 7.47 3.96 0.00 1.54 1.62 0.00 1.64 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.35 7.81 97 H 7.90 4.30 0.00 2.99 3.15 0.00 5.81 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 98 K 7.47 3.39 0.00 1.80 1.84 0.00 1.49 0.00 0.00 2.37 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 1.21 7.81 99 I 8.22 4.44 2.08 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 1.52 0.97 1.13 0.00 0.00 100 P 0.00 4.51 0.00 1.93 1.99 0.00 3.27 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.50 0.00 101 I 8.72 3.59 1.82 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.71 0.82 0.00 0.00 102 K 8.00 3.66 0.00 1.73 1.66 0.00 1.19 0.00 0.00 1.69 0.00 0.00 3.15 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.51 1.07 7.81 103 Y 7.99 4.14 0.00 3.20 3.09 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 0.00 0.00 0.00 104 L 7.89 4.23 0.00 1.83 1.79 0.73 1.14 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 0.00 105 E 8.06 4.03 0.00 2.08 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 2.33 2.46 0.00 106 F 7.76 4.49 0.00 3.19 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 0.00 107 I 8.12 3.99 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 1.06 0.00 0.00 108 S 7.99 4.21 0.00 4.24 3.98 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 0.00 109 E 8.41 4.05 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 110 A 7.97 4.07 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 0.00 111 I 7.92 3.72 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.80 1.03 0.00 0.00 112 I 7.90 3.87 2.11 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 1.70 1.01 1.13 0.00 0.00 113 H 8.54 4.13 0.00 3.41 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.98 3.56 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.01 0.00 0.00 115 L 7.81 3.81 0.00 0.38 0.79 0.78 0.80 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 0.00 116 H 7.81 4.34 0.00 3.51 3.63 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.99 4.19 0.00 3.79 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 0.00 118 R 7.92 4.16 0.00 1.61 1.59 0.00 3.12 0.00 0.00 2.97 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 119 H 8.27 5.01 0.00 3.18 3.22 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.30 0.00 2.20 2.27 0.00 3.66 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 121 G 8.15 3.65 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 0.00 0.00 0.00 122 N 8.33 5.11 0.00 2.79 2.92 0.00 0.00 6.67 7.07 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 0.00 123 F 7.90 5.00 0.00 2.92 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 0.00 124 G 8.09 3.87 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 0.00 125 A 8.42 3.88 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 0.00 126 D 7.93 4.16 0.00 2.65 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 0.00 127 A 7.81 3.95 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 0.00 128 Q 7.93 3.17 0.00 1.17 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 129 G 8.03 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.98 3.87 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 0.00 131 M 8.16 3.96 0.00 2.38 2.37 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 2.75 2.89 0.00 132 N 8.40 4.33 0.00 2.88 2.96 0.00 0.00 6.89 6.96 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 0.00 133 K 8.13 3.87 0.00 1.94 1.75 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.36 7.81 134 A 8.03 3.82 1.21 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 0.00 135 L 8.14 4.12 0.00 1.77 1.82 0.99 0.68 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 0.00 136 E 8.49 3.96 0.00 2.14 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 2.35 2.66 0.00 137 L 8.12 3.92 0.00 1.86 2.02 1.04 1.41 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 0.00 138 F 8.38 4.12 0.00 3.08 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 0.00 139 R 8.34 3.49 0.00 2.05 1.85 0.00 3.17 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 140 K 8.19 3.82 0.00 1.77 2.00 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.45 7.81 141 D 8.16 4.30 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.75 3.37 1.27 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.29 0.08 0.00 0.00 143 A 7.91 3.76 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 0.00 144 A 7.79 3.98 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 0.00 145 K 7.99 4.00 0.00 2.06 1.94 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.16 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.54 7.81 146 Y 8.40 4.41 0.00 3.27 3.19 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 0.00 147 K 8.13 3.89 0.00 1.87 2.01 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 148 E 7.97 4.07 0.00 2.17 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 2.36 2.58 0.00 149 L 7.83 4.37 0.00 1.78 1.71 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.96 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.87 4.22 0.00 2.61 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 0.00 152 Q 7.50 3.15 0.00 2.12 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 153 G 6.83 2.54 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 0.00 0.00 0.00 0.00