NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9168 8.3549 109.7429 43.7132 0.0000 174.3209 2 L 4.4690 7.9854 118.8544 50.2636 45.6448 174.8080 3 S 4.8493 9.4231 116.8423 56.6998 67.1954 174.4841 4 D 4.7509 8.8403 122.5344 57.9093 40.5467 179.4378 5 G 3.8330 8.2629 105.2555 48.3402 0.0000 175.3344 6 E 4.0294 7.6853 120.9791 58.4686 29.3654 179.4200 7 W 4.6222 8.2883 119.2388 59.5992 29.0675 178.3202 8 Q 4.0775 8.4823 118.8260 59.1158 28.2449 178.3444 9 Q 4.1607 8.3120 120.4045 59.3023 29.0042 179.1808 10 V 3.6789 7.7510 118.8425 66.1992 31.5331 178.1037 11 L 4.3265 8.1322 117.0470 57.4773 41.6982 178.3725 12 N 4.4148 8.9044 118.0492 56.6220 38.4844 176.7836 13 V 3.1120 8.2519 119.7568 65.8110 31.5477 177.6825 14 W 4.4400 8.3467 127.3009 58.9061 30.1739 177.9142 15 G 3.6309 8.7760 107.1240 48.3604 0.0000 175.8607 16 K 3.9652 7.2229 118.9446 58.7390 32.2632 179.4949 17 V 2.9819 6.9083 117.9757 65.7426 31.1685 177.8779 18 E 3.7200 7.5578 117.0548 59.0507 29.3305 178.8686 19 A 4.1308 7.1739 118.4370 54.0176 19.9502 177.6162 20 D 4.6481 7.4957 114.3006 52.3133 43.4700 175.6653 21 I 3.6146 7.6309 117.7067 63.7340 38.0186 178.1741 22 A 4.1382 7.9624 122.1259 54.6212 18.2484 179.6563 23 G 3.5134 8.3350 104.4548 47.9334 0.0000 175.7628 24 H 4.3353 8.3317 118.5278 58.3685 28.3855 178.0406 25 G 4.1124 8.5449 109.2487 47.1304 0.0000 175.6721 26 Q 3.8477 8.0417 121.8021 59.1090 29.1382 178.0678 27 E 3.8740 7.8203 119.7035 59.1433 29.4666 179.2796 28 V 3.4990 7.5570 118.0226 66.1421 31.5309 177.9930 29 L 3.5019 7.2696 117.3419 57.8290 40.9430 179.7968 30 I 3.5005 7.4634 119.3461 63.6937 36.8272 178.6409 31 R 3.8329 8.0078 120.4360 59.7208 29.9127 177.6169 32 L 3.9397 8.2229 120.4715 58.4506 42.0530 178.6984 33 F 4.1894 8.6141 118.2615 60.5295 38.7728 177.5726 34 T 4.3869 7.4564 107.1523 63.7579 69.4558 177.0188 35 G 3.8393 8.1893 107.8548 46.3373 0.0000 173.2647 36 H 4.6768 8.8740 119.1986 51.7665 29.7379 171.9503 37 P 4.4634 0.0000 0.0000 64.2616 31.2082 177.3343 38 E 4.2458 8.1745 116.2154 59.0084 29.8600 178.8588 39 T 3.6952 8.1447 111.3908 64.4336 68.7399 176.1461 40 L 3.3077 7.5186 122.2236 57.9521 41.7969 178.7560 41 E 4.1228 7.6919 117.3259 58.7339 29.4278 178.8556 42 K 4.4048 8.1042 117.4933 57.0035 32.6410 176.8478 43 F 4.6213 8.1044 118.9153 55.2647 38.8854 175.5146 44 D 4.3109 8.7193 126.5005 57.2177 40.8856 178.7532 45 K 3.9688 7.9923 118.7569 58.5366 32.3897 176.9123 46 F 5.1963 8.7222 115.2157 56.4803 40.6109 176.7052 47 K 4.0999 8.3466 120.0533 59.5617 32.1691 177.4288 48 H 4.4505 8.2185 113.5274 56.8027 29.0443 175.1268 49 L 4.2315 8.1047 122.0503 54.2362 41.9713 176.6440 50 K 4.4431 8.6504 122.2434 56.5943 33.6369 176.5963 51 T 4.7412 7.3526 108.0764 58.8341 73.1576 174.3313 52 E 3.8851 8.6082 121.4829 59.8075 29.7235 178.0027 53 A 3.9011 8.1721 119.6721 55.9507 18.0672 179.0028 54 E 3.9647 7.8993 116.4543 59.0594 29.7591 179.4711 55 M 4.1725 7.2751 117.4975 58.0909 32.3413 178.4218 56 K 4.1149 7.9591 117.2714 58.8983 32.3334 177.9660 57 A 4.3322 7.8991 121.3748 52.1982 18.0121 177.7198 58 S 4.5457 7.7436 113.8041 57.6121 65.5743 173.2514 59 E 4.1743 8.8493 128.8638 58.8363 29.4116 178.5601 60 D 4.4455 8.0942 118.3246 57.1669 41.3519 177.7756 61 L 3.7777 7.6367 120.3162 57.7689 41.8029 178.7332 62 K 3.8634 7.4695 117.5415 59.3559 32.4973 178.3582 63 K 4.0583 7.9277 119.5569 59.7635 32.2012 178.0445 64 H 4.2560 8.9089 118.8513 59.4864 29.9409 177.4336 65 G 3.7613 8.5372 107.4894 47.7891 0.0000 175.1346 66 T 4.2173 7.6887 116.9436 65.3879 68.9781 177.3674 67 V 3.6297 7.6512 120.5033 65.8443 31.4899 178.3102 68 V 3.6044 7.6134 117.4029 66.1618 31.7202 177.7748 69 L 4.3276 7.8880 117.2339 57.1237 41.5555 179.2481 70 T 4.1326 7.7509 115.4611 66.1438 68.0267 176.8117 71 A 4.1082 8.0285 122.7348 54.8426 18.5672 179.2956 72 L 3.6725 8.3151 119.3777 58.2416 42.1351 179.1907 73 G 3.6129 7.9203 105.7932 47.8032 0.0000 175.4868 74 G 3.6578 7.2982 105.4496 47.7895 0.0000 175.5225 75 I 3.9058 7.2875 121.7530 63.7332 36.8038 178.5665 76 L 3.9646 7.9349 120.3484 57.2884 41.1920 179.0936 77 K 4.0360 7.5993 116.7099 58.0290 31.9437 178.8413 78 K 3.9153 7.7529 118.9885 56.3171 32.9577 176.4234 79 K 2.0000 7.5993 117.0756 56.7137 29.1035 175.6930 80 G 3.9993 7.7647 100.8300 46.7516 0.0000 173.2595 81 H 4.7910 7.4387 113.2788 54.9494 28.3853 174.0825 82 H 5.5211 7.1255 111.8503 54.3025 30.0725 176.2447 83 E 3.8435 8.3522 121.2990 60.3963 28.9005 178.3131 84 A 3.9467 8.0875 118.5893 56.0366 18.7136 179.0961 85 E 4.1033 8.0540 115.2803 58.4857 29.8411 179.0218 86 L 4.1377 8.7621 121.1056 57.1475 42.4708 178.1212 87 K 3.8082 8.3894 120.4977 59.3483 31.5089 176.7093 88 P 4.3048 0.0000 0.0000 65.8067 31.1439 178.4026 89 L 4.0753 7.7954 118.0454 57.4204 41.7294 178.8654 90 A 4.0129 8.5333 120.9930 55.5603 18.3543 179.8107 91 Q 3.9668 8.0559 116.4930 58.9073 28.7097 179.2203 92 S 4.0012 7.8225 114.5457 61.8506 63.1083 176.3841 93 H 4.3406 8.5111 119.6777 58.2861 28.4824 177.2738 94 A 2.7348 7.9910 123.5284 54.6583 18.0171 179.6965 95 T 3.7150 8.1068 108.4900 63.3925 69.2487 175.5609 96 K 4.2796 7.5046 118.5959 58.1838 34.3482 177.0473 97 H 4.2857 8.4542 116.0963 56.1275 29.1320 175.0572 98 K 4.0733 7.5589 116.9006 55.7636 28.5043 173.0617 99 I 4.5911 8.5774 119.3770 58.3383 39.8131 174.5373 100 P 4.3767 0.0000 0.0000 62.4174 31.6700 177.2986 101 I 3.7713 8.6296 121.0741 64.0680 37.6472 178.1588 102 K 3.8093 7.8783 120.1269 59.3325 32.1208 178.1411 103 Y 4.2294 8.1303 116.8644 60.3566 37.5169 177.6805 104 L 4.5109 7.7509 118.1882 56.1974 42.6053 178.0349 105 E 4.1533 7.6078 119.7293 58.9631 29.6416 178.5618 106 F 4.5609 8.2853 118.1344 60.8486 38.9137 177.5662 107 I 3.8495 7.6667 116.4861 64.0402 37.7159 177.9669 108 S 4.2736 7.8719 115.2953 61.4515 62.6948 176.0905 109 D 4.5180 8.3271 121.5222 57.0528 40.8349 178.6355 110 A 4.3305 8.0819 120.7340 54.7858 18.2750 179.6967 111 I 3.6892 7.4751 118.6565 64.8264 37.1747 178.5952 112 I 3.9347 7.4729 119.8886 64.5716 36.9041 178.0764 113 H 4.2098 8.8691 119.5033 59.2603 29.7939 177.1388 114 V 3.5666 7.6602 119.7094 66.4277 31.3207 178.1108 115 L 3.9317 8.2221 118.4889 57.8884 41.0358 179.2419 116 H 4.4193 7.7740 115.8822 58.4324 28.7376 177.4891 117 S 4.1950 7.9362 114.4203 61.4905 62.4163 176.2141 118 K 4.0842 7.9564 119.3182 58.2558 33.1038 176.9094 119 H 4.8538 8.3660 116.2002 54.0113 29.2898 172.8481 120 P 4.3391 0.0000 0.0000 67.1171 30.7716 175.9201 121 G 4.0371 8.5965 111.3897 45.5532 0.0000 172.9990 122 D 4.7869 8.0450 119.5132 52.4438 39.6623 176.0199 123 F 4.9923 8.1007 120.9241 56.8740 39.3784 174.2037 124 G 3.8666 7.9183 112.0962 42.7976 0.0000 170.7139 125 A 3.7943 8.4690 121.8959 55.4404 18.0455 179.7760 126 D 4.2277 7.9387 116.5452 56.4498 39.6935 178.5470 127 A 3.9751 7.7681 121.8587 54.8840 18.5482 179.1353 128 Q 3.5076 8.3209 118.8722 59.7315 28.9055 177.7774 129 G 3.6011 7.9956 105.8364 47.8355 0.0000 175.0037 130 A 3.8492 8.7330 122.3308 54.4612 18.7284 179.6464 131 M 4.0068 8.5189 117.0422 59.0762 32.4131 178.4874 132 T 3.8933 7.9839 115.8278 66.7810 68.6116 176.7090 133 K 4.2058 8.3306 119.4795 58.4916 31.9468 178.8262 134 A 4.1434 7.5686 120.9331 54.3214 19.1893 179.4183 135 L 4.0935 8.1787 117.6140 57.6330 41.6353 179.6672 136 E 3.9649 8.7206 119.2568 59.2536 29.4756 178.6573 137 L 3.9277 7.6207 120.4047 58.3456 41.9309 178.6099 138 F 4.0629 8.2914 120.1271 61.5996 39.2031 176.9993 139 R 3.6225 8.2189 118.0555 59.4377 29.8214 177.9724 140 N 4.2966 8.7196 117.1649 56.4950 38.8082 176.6523 141 D 4.4017 8.0271 120.3277 56.7929 40.8801 178.8786 142 I 3.4030 7.1854 120.5552 63.9607 37.0580 177.7415 143 A 3.8369 7.3281 121.5911 55.3480 17.9780 179.1680 144 A 3.9115 7.7832 118.6976 55.7433 18.2206 180.1135 145 K 4.0703 7.7599 116.1461 59.3676 32.2998 179.2062 146 Y 4.2338 8.5525 117.4352 60.2691 37.7461 178.0868 147 K 3.9682 8.6172 121.4794 59.7499 32.2359 178.5275 148 E 4.1968 7.6083 117.3748 58.5780 29.4050 177.8045 149 L 4.4765 7.2276 117.2623 54.0276 42.5537 176.4734 150 G 3.8902 8.6322 104.4570 46.5961 0.0000 175.0886 151 F 4.4611 7.8831 122.8135 57.7351 37.2576 174.6564 152 Q 4.1521 8.1554 124.0851 56.2149 29.6651 176.8205 153 G 3.3285 7.1822 111.9092 45.3218 0.0000 173.0450 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 1 G 8.35 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 7.99 4.47 0.00 0.52 0.86 0.57 -0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.42 4.85 0.00 4.03 3.97 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 4 D 8.84 4.75 0.00 2.79 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 5 G 8.26 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 6 E 7.69 4.03 0.00 1.85 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 7 W 8.29 4.62 0.00 3.57 3.12 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 8 Q 8.48 4.08 0.00 2.42 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 9 Q 8.31 4.16 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 10 V 7.75 3.68 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.93 0.00 0.00 11 L 8.13 4.33 0.00 1.85 1.81 0.95 0.91 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 12 N 8.90 4.41 0.00 2.89 2.98 0.00 0.00 6.65 7.58 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 13 V 8.25 3.11 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 0.75 0.00 0.00 1.28 0.00 0.00 14 W 8.35 4.44 0.00 3.65 3.18 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 0.00 0.00 0.00 0.00 15 G 8.78 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.22 3.97 0.00 1.42 1.57 0.00 1.35 0.00 0.00 1.49 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.26 7.81 17 V 6.91 2.98 0.67 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 -0.19 0.00 0.00 0.36 0.00 0.00 18 E 7.56 3.72 0.00 1.79 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 1.88 2.28 0.00 19 A 7.17 4.13 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 20 D 7.50 4.65 0.00 2.68 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 I 7.63 3.61 1.83 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 1.52 0.61 0.82 0.00 0.00 22 A 7.96 4.14 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 23 G 8.33 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.33 4.34 0.00 3.18 3.23 0.00 5.82 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 8.54 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 0.00 0.00 0.00 0.00 26 Q 8.04 3.85 0.00 2.30 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 27 E 7.82 3.87 0.00 2.03 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 2.26 2.23 0.00 28 V 7.56 3.50 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 0.98 0.00 0.00 1.03 0.00 0.00 29 L 7.27 3.50 0.00 1.36 0.81 0.82 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.46 3.50 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.03 0.87 0.00 0.00 31 R 8.01 3.83 0.00 2.02 2.12 0.00 3.11 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 32 L 8.22 3.94 0.00 1.82 1.62 1.06 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.61 4.19 0.00 2.97 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 34 T 7.46 4.39 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 1.26 0.00 0.00 35 G 8.19 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 0.00 0.00 0.00 36 H 8.87 4.68 0.00 2.97 3.30 0.00 5.64 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 37 P 0.00 4.46 0.00 2.16 2.12 0.00 3.82 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 38 E 8.17 4.25 0.00 2.30 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 0.00 2.40 2.60 0.00 39 T 8.14 3.70 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 0.62 0.00 0.00 40 L 7.52 3.31 0.00 1.61 1.77 0.24 0.89 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 41 E 7.69 4.12 0.00 2.13 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 2.37 2.53 0.00 42 K 8.10 4.40 0.00 1.79 1.65 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.21 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.66 1.86 7.81 43 F 8.10 4.62 0.00 3.05 2.71 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 0.00 0.00 0.00 44 D 8.72 4.31 0.00 2.61 2.74 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 45 K 7.99 3.97 0.00 1.47 1.21 0.00 1.17 0.00 0.00 0.86 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.10 1.26 7.81 46 F 8.72 5.20 0.00 2.83 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 47 K 8.35 4.10 0.00 1.88 1.99 0.00 1.59 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.48 7.81 48 H 8.22 4.45 0.00 3.32 3.49 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.10 4.23 0.00 1.55 1.60 0.83 0.84 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 50 K 8.65 4.44 0.00 1.72 1.83 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.34 7.81 51 T 7.35 4.74 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 1.21 0.00 0.00 52 E 8.61 3.89 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 2.35 0.00 53 A 8.17 3.90 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 54 E 7.90 3.96 0.00 2.06 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 2.35 2.36 0.00 55 M 7.28 4.17 0.00 1.95 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 56 K 7.96 4.11 0.00 1.70 1.83 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.55 7.81 57 A 7.90 4.33 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 58 S 7.74 4.55 0.00 3.84 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 59 E 8.85 4.17 0.00 2.05 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 2.41 2.31 0.00 60 D 8.09 4.45 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 61 L 7.64 3.78 0.00 1.62 1.61 -0.26 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.47 3.86 0.00 1.99 1.99 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.41 7.81 63 K 7.93 4.06 0.00 2.03 2.10 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.50 7.81 64 H 8.91 4.26 0.00 3.69 3.58 0.00 5.85 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 8.54 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 66 T 7.69 4.22 4.41 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 1.22 0.00 0.00 67 V 7.65 3.63 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 1.03 0.00 0.00 0.97 0.00 0.00 68 V 7.61 3.60 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 1.18 0.00 0.00 1.06 0.00 0.00 69 L 7.89 4.33 0.00 1.79 1.88 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.75 4.13 4.53 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 1.25 0.00 0.00 71 A 8.03 4.11 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 72 L 8.32 3.67 0.00 1.55 1.54 -0.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.92 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 74 G 7.30 3.66 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 0.00 75 I 7.29 3.91 1.84 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 1.57 1.11 0.94 0.00 0.00 76 L 7.93 3.96 0.00 1.18 1.39 0.22 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.60 4.04 0.00 1.66 1.79 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.19 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.66 7.81 78 K 7.75 3.92 0.00 1.87 1.80 0.00 2.08 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.79 7.81 79 K 7.60 2.00 0.00 1.28 0.74 0.00 1.56 0.00 0.00 1.36 0.00 0.00 2.71 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.30 0.71 7.81 80 G 7.76 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 0.00 0.00 0.00 81 H 7.44 4.79 0.00 3.14 3.18 0.00 5.81 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 82 H 7.13 5.52 0.00 3.30 3.50 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.35 3.84 0.00 2.07 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 0.00 2.40 2.45 0.00 84 A 8.09 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 85 E 8.05 4.10 0.00 2.11 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 2.40 2.43 0.00 86 L 8.76 4.14 0.00 1.82 1.85 0.73 0.58 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 87 K 8.39 3.81 0.00 1.99 1.90 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.54 7.81 88 P 0.00 4.30 0.00 2.33 2.31 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.14 0.00 89 L 7.80 4.08 0.00 1.95 1.79 1.09 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.53 4.01 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 91 Q 8.06 3.97 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 92 S 7.82 4.00 0.00 3.90 4.09 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 93 H 8.51 4.34 0.00 3.43 3.61 0.00 5.81 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 7.99 2.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.11 3.72 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 1.12 0.00 0.00 96 K 7.50 4.28 0.00 1.74 1.82 0.00 1.48 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.12 1.00 7.81 97 H 8.45 4.29 0.00 2.99 3.22 0.00 5.81 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.56 4.07 0.00 1.95 2.06 0.00 1.63 0.00 0.00 2.41 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.30 1.36 7.81 99 I 8.58 4.59 2.14 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 1.41 1.07 1.25 0.00 0.00 100 P 0.00 4.38 0.00 1.65 1.66 0.00 3.08 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 0.99 1.68 0.00 101 I 8.63 3.77 2.04 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.14 0.92 0.00 0.00 102 K 7.88 3.81 0.00 1.71 1.52 0.00 1.73 0.00 0.00 1.46 0.00 0.00 3.35 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.36 1.40 7.81 103 Y 8.13 4.23 0.00 3.31 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 0.00 104 L 7.75 4.51 0.00 1.83 1.74 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.61 4.15 0.00 2.06 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 2.34 2.34 0.00 106 F 8.29 4.56 0.00 3.01 2.84 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 0.00 107 I 7.67 3.85 2.15 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.42 1.13 0.00 0.00 108 S 7.87 4.27 0.00 4.33 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 D 8.33 4.52 0.00 2.93 2.80 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 0.00 110 A 8.08 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.48 3.69 2.11 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 1.61 0.75 1.01 0.00 0.00 112 I 7.47 3.93 2.14 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 1.68 1.01 1.11 0.00 0.00 113 H 8.87 4.21 0.00 3.27 3.36 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.66 3.57 2.40 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 0.95 0.00 0.00 0.96 0.00 0.00 115 L 8.22 3.93 0.00 1.04 0.90 0.66 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.77 4.42 0.00 3.25 3.42 0.00 5.66 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 0.00 117 S 7.94 4.20 0.00 3.78 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 0.00 118 K 7.96 4.08 0.00 1.84 1.55 0.00 1.93 0.00 0.00 1.50 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.35 7.81 119 H 8.37 4.85 0.00 3.11 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.75 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 4.34 0.00 2.20 2.28 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 121 G 8.60 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 0.00 0.00 0.00 122 D 8.04 4.79 0.00 2.82 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 0.00 123 F 8.10 4.99 0.00 2.71 2.82 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 0.00 124 G 7.92 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 8.47 3.79 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 0.00 126 D 7.94 4.23 0.00 2.85 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 0.00 127 A 7.77 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 0.00 128 Q 8.32 3.51 0.00 1.41 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.12 0.00 129 G 8.00 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 0.00 0.00 0.00 130 A 8.73 3.85 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 0.00 131 M 8.52 4.01 0.00 2.41 2.32 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.84 0.00 132 T 7.98 3.89 4.35 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 1.28 0.00 0.00 133 K 8.33 4.21 0.00 1.62 1.72 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.39 7.81 134 A 7.57 4.14 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 0.00 135 L 8.18 4.09 0.00 1.76 1.82 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.72 3.96 0.00 1.94 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 2.63 2.45 0.00 137 L 7.62 3.93 0.00 1.84 1.96 1.00 1.42 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 0.00 138 F 8.29 4.06 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 0.00 139 R 8.22 3.62 0.00 2.20 2.02 0.00 3.13 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 140 N 8.72 4.30 0.00 2.80 2.77 0.00 0.00 7.21 8.51 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 0.00 141 D 8.03 4.40 0.00 2.94 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 0.00 142 I 7.19 3.40 1.30 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.04 -0.12 0.00 0.00 143 A 7.33 3.84 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 0.00 144 A 7.78 3.91 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 7.76 4.07 0.00 1.86 1.90 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.61 7.81 146 Y 8.55 4.23 0.00 3.18 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 0.00 147 K 8.62 3.97 0.00 1.93 1.92 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 148 E 7.61 4.20 0.00 2.11 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 2.37 2.52 0.00 149 L 7.23 4.48 0.00 1.64 1.78 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.63 3.89 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 0.00 0.00 0.00 151 F 7.88 4.46 0.00 2.73 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 0.00 152 Q 8.16 4.15 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.22 2.48 0.00 153 G 7.18 3.33 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 0.00