NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.4082 8.3049 120.3507 55.8381 33.6438 179.6382 4 H 4.3785 8.8518 110.8638 53.7098 25.5171 169.2881 5 V 3.6073 8.4348 125.4957 65.8403 32.4540 176.8757 6 K 3.8447 7.8999 117.7408 59.4627 31.8874 179.0853 7 E 4.0096 8.0842 118.4113 59.4202 29.4073 179.4535 8 R 3.9841 8.2715 118.3063 59.2949 30.0547 178.4231 9 Y 4.4690 8.4807 121.1955 60.1513 38.8217 178.1011 10 K 3.6589 8.1835 120.5301 59.4248 32.1667 178.6004 11 N 4.3304 8.3764 117.0307 56.0102 38.3259 177.1763 12 F 4.0360 8.5215 122.5573 61.2069 39.6120 177.0401 13 L 3.8974 8.0547 119.0107 57.9752 41.1947 179.1734 14 N 4.2676 7.8344 115.5417 56.6357 38.9551 176.5327 15 Q 3.8697 7.9705 118.6545 57.7257 29.2023 176.1107 16 H 4.5140 7.8810 113.5769 53.4085 31.5036 173.0949 17 V 4.3450 7.6832 119.5787 61.1357 32.7630 176.2773 18 G 4.1770 8.9825 115.8760 43.6642 0.0000 170.6272 19 P 4.5026 0.0000 0.0000 65.3106 31.9300 176.8306 20 D 4.8888 7.7247 115.7512 53.9044 41.7366 175.4612 21 M 4.2156 7.8434 116.8246 54.8315 32.7417 175.6410 22 S 4.6669 7.8149 113.2510 56.7698 66.1955 175.5398 23 V 3.6693 8.3738 114.3551 64.6632 31.3982 178.6109 24 Q 4.1200 8.0092 116.8580 57.8205 28.9186 177.2718 25 R 4.4473 7.7836 116.6011 56.0015 30.2773 177.1745 26 C 4.1592 7.8157 119.2048 60.2267 36.1275 175.8409 27 N 4.4747 8.1386 117.5439 56.4613 38.0712 177.5455 28 S 4.1271 7.9234 113.7738 61.4774 63.3826 175.6031 29 E 3.9966 8.3616 123.1069 58.8844 29.3736 178.7897 30 I 3.9195 7.8823 120.1160 63.7860 37.3413 176.7346 31 G 4.0687 7.9754 108.6993 44.4342 0.0000 172.0242 32 P 4.3660 0.0000 0.0000 64.2336 31.3575 177.3427 33 N 4.7512 7.9648 114.3512 54.0928 40.6672 174.6521 34 N 4.9935 8.1524 111.7127 53.9108 38.6591 176.0845 35 R 3.9978 6.1347 129.1051 57.4479 31.4326 176.3527 36 K 3.7646 7.7315 116.9027 57.2884 30.0521 175.5833 37 I 3.9973 7.7696 118.3713 61.6677 37.8074 177.6132 38 T 4.9888 8.2886 122.7372 61.1558 72.5350 173.5515 39 L 4.1040 8.7929 127.4915 54.8519 43.1239 176.5884 40 S 4.2503 8.7162 120.9387 60.1090 62.7585 174.3505 41 G 4.0398 9.5674 115.0364 45.3479 0.0000 172.9072 42 T 4.7403 7.4220 108.0315 59.9149 71.8156 173.5711 43 D 4.7040 8.5995 120.5940 54.2642 40.4099 177.0419 44 N 5.0230 7.8754 115.2943 53.1000 39.9375 174.0874 45 G 4.2337 8.4979 107.4507 45.8233 0.0000 172.8396 46 C 4.9437 8.6126 120.1596 56.0135 40.7890 174.3287 47 K 4.3372 8.7763 123.7328 55.8456 32.6031 175.4360 48 P 4.6890 0.0000 0.0000 65.3051 32.7274 176.2943 49 V 5.1319 7.6025 118.0766 60.3917 34.5565 173.8105 50 N 4.8939 9.2771 122.2495 52.6017 42.1050 172.8119 51 T 4.8179 8.6925 123.2011 61.9730 70.9606 173.5064 52 F 4.7599 9.0651 125.1174 55.9030 41.4091 174.9133 53 I 4.2987 8.7640 125.2863 60.2824 38.2602 176.3261 54 L 5.2075 8.7020 130.5475 52.7468 39.1077 175.3343 55 A 4.7196 7.4856 120.8266 50.5994 23.0710 176.4871 56 N 4.5992 8.8199 117.7481 53.0071 39.9627 176.2763 57 K 4.2456 8.7334 123.1320 60.2636 32.5125 179.6366 58 R 3.9880 8.0688 118.9698 58.9339 29.8373 178.5084 59 L 4.0875 7.9378 119.0799 58.1401 42.4889 178.6034 60 I 3.8880 8.0364 120.0026 64.2286 37.0075 178.2076 61 K 3.8948 8.4465 120.8553 59.6371 31.8680 178.6748 62 T 3.8801 7.8058 109.7975 64.1207 68.6631 176.4743 63 V 3.5446 7.9283 121.5602 65.7209 31.3012 176.3031 64 C 4.7150 8.1354 114.3436 56.6796 36.0177 173.6543 65 G 3.9873 8.5603 111.1131 45.3577 0.0000 176.6431 66 R 4.0212 8.9531 122.3375 57.4239 29.5487 176.4920 67 A 4.6313 8.0092 121.7086 51.8689 19.1767 175.9085 68 G 5.0256 7.6430 104.2616 44.7800 0.0000 172.6203 69 S 5.0585 8.9511 115.2740 55.4532 67.4757 172.2336 70 P 4.7138 0.0000 0.0000 63.3274 32.1207 176.4818 71 Q 4.2527 9.0354 123.4537 55.0207 30.6615 175.5744 72 G 3.8054 8.1180 117.5954 46.8032 0.0000 172.0369 73 N 4.6711 8.8477 122.8154 52.9107 37.6306 174.1751 74 M 4.8198 8.0519 120.0741 53.8889 35.8500 174.4324 75 V 4.8308 8.8839 118.2718 61.4572 35.3343 174.2992 76 R 5.1770 8.9302 127.6352 54.1927 32.3719 175.3526 77 S 4.7367 9.0185 121.8537 58.6778 63.1914 174.5434 78 N 4.6414 9.3918 120.4762 55.4376 38.7262 175.3211 79 Q 5.0477 7.9830 115.5724 53.1621 31.8719 173.8710 80 P 4.3910 0.0000 0.0000 62.4960 32.7616 175.2522 81 F 4.8954 9.1701 119.5518 54.6949 42.7696 173.1244 82 P 4.8771 0.0000 0.0000 63.4040 32.6558 175.4919 83 V 4.9621 8.9646 114.3431 60.1811 37.1750 173.7794 84 V 4.7741 8.9006 122.3398 61.1916 34.1490 174.0415 85 K 4.7223 9.1065 130.4568 55.1917 33.9810 174.1425 86 C 5.3366 8.8518 125.4772 55.3266 39.6215 172.9045 87 V 5.0147 8.9616 124.6603 60.5541 34.1519 174.4876 88 L 3.7993 9.2098 130.8214 55.4253 42.5823 176.5268 89 N 4.7298 9.0912 124.5269 54.3561 41.7244 173.4306 90 N 4.8536 7.9056 114.8895 53.4383 42.4727 174.4068 91 G 4.3174 9.0145 110.2204 47.1616 0.0000 172.9577 92 E 4.7411 8.8189 119.9494 56.1509 32.6906 175.8787 93 R 5.1339 7.8283 114.3030 54.1310 33.3285 174.7063 94 H 4.4881 8.8536 118.2555 55.0788 29.5782 173.3896 95 P 4.6924 0.0000 0.0000 63.4938 31.6450 175.6586 96 Y 4.7555 7.4494 114.7350 59.0225 38.0834 174.5387 97 C 4.7708 8.0941 118.6486 56.8757 39.1695 172.5858 98 E 5.0116 9.0402 125.5911 54.4967 32.1214 174.2053 99 Y 5.2480 9.6077 123.8534 56.2908 41.7873 175.0573 100 R 4.5659 9.2616 121.6130 54.9144 32.0299 175.6777 101 G 4.5440 8.7726 110.8537 44.7716 0.0000 172.6571 102 T 4.8011 8.8511 119.3830 61.4299 72.3849 172.8253 103 R 4.8261 8.6589 126.5099 55.5222 31.3978 175.2908 104 S 4.7512 8.9234 121.2703 57.8355 68.3464 172.4625 105 T 5.0299 8.4196 116.1116 62.3593 71.2064 174.2350 106 R 4.7899 9.0647 124.7762 54.4383 35.0806 174.0903 107 Y 4.5474 8.7622 120.3654 57.8097 38.7084 175.1613 108 I 4.2545 8.7219 118.5976 59.8658 40.1509 174.8708 109 V 4.7524 7.8824 124.1559 61.3152 33.8262 174.1842 110 L 5.2402 9.1421 127.4107 52.7833 46.0395 175.1282 111 K 4.7928 8.7798 121.7967 55.2953 34.0093 174.5555 112 C 5.5437 8.6838 123.1670 55.2747 44.7830 173.1520 113 E 4.6248 9.1171 121.9792 55.9678 32.2711 175.1537 114 E 3.9310 10.1141 124.3153 57.4165 27.1999 175.6603 115 G 3.7215 8.5443 105.1158 44.9865 0.0000 173.9280 116 W 4.6373 7.9100 120.3183 53.6763 31.0770 173.4625 117 P 4.6257 0.0000 0.0000 62.8656 31.3233 176.7215 118 V 4.6411 8.4353 113.6446 61.0388 33.6466 174.7450 119 H 5.0021 7.8251 118.7266 55.4609 33.2520 171.3031 120 Y 4.8579 8.2842 124.0567 55.9080 41.1569 174.0649 121 H 4.5537 8.5210 127.6302 55.3712 30.4104 174.6526 122 E 4.5694 8.5100 125.3379 55.0979 30.7872 176.1305 123 D 4.5574 8.3855 120.9713 54.0232 41.5829 176.2579 124 E 4.1268 8.5762 122.5269 56.4545 30.2899 176.4784 125 V 4.4893 8.0491 117.0639 59.5039 35.4576 174.5255 126 N 4.7283 8.6262 120.0815 52.1939 39.4651 174.9990 127 V 4.2049 8.2598 119.2465 60.5362 33.7208 176.4949 128 G 4.2768 8.5564 109.2520 46.1229 0.0000 173.4767 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 3 M 8.30 4.41 0.00 2.04 1.16 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 4 H 8.85 4.38 0.00 3.36 3.40 0.00 5.87 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.43 3.61 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 1.03 0.00 0.00 1.03 0.00 0.00 6 K 7.90 3.84 0.00 1.78 1.73 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.38 7.81 7 E 8.08 4.01 0.00 2.21 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 2.40 2.46 0.00 8 R 8.27 3.98 0.00 2.04 2.07 0.00 3.18 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 9 Y 8.48 4.47 0.00 2.97 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 10 K 8.18 3.66 0.00 1.96 1.85 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.40 7.81 11 N 8.38 4.33 0.00 2.99 2.85 0.00 0.00 6.61 7.65 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 12 F 8.52 4.04 0.00 3.28 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 13 L 8.05 3.90 0.00 1.66 1.60 0.76 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.83 4.27 0.00 2.64 2.86 0.00 0.00 7.32 6.60 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 15 Q 7.97 3.87 0.00 1.55 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.17 2.38 0.00 16 H 7.88 4.51 0.00 1.72 2.46 0.00 5.59 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.68 4.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.02 0.00 0.00 18 G 8.98 4.18 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 0.00 0.00 0.00 19 P 0.00 4.50 0.00 2.06 2.18 0.00 3.62 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.30 0.00 20 D 7.72 4.89 0.00 2.54 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 M 7.84 4.22 0.00 1.78 1.98 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.25 0.00 22 S 7.81 4.67 0.00 4.06 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 23 V 8.37 3.67 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 0.99 0.00 0.00 0.93 0.00 0.00 24 Q 8.01 4.12 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.14 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 25 R 7.78 4.45 0.00 1.80 1.76 0.00 3.06 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 26 C 7.82 4.16 0.00 2.97 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 27 N 8.14 4.47 0.00 2.78 2.95 0.00 0.00 6.81 7.40 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 28 S 7.92 4.13 0.00 3.99 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 29 E 8.36 4.00 0.00 1.87 1.65 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 1.71 2.22 0.00 30 I 7.88 3.92 1.92 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 1.44 0.85 0.97 0.00 0.00 31 G 7.98 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 32 P 0.00 4.37 0.00 2.00 2.02 0.00 3.66 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 1.96 1.98 0.00 33 N 7.96 4.75 0.00 2.69 2.84 0.00 0.00 6.72 8.00 0.00 0.00 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 N 8.15 4.99 0.00 2.87 2.24 0.00 0.00 7.02 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 35 R 6.13 4.00 0.00 1.91 2.15 0.00 3.52 0.00 0.00 3.50 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 36 K 7.73 3.76 0.00 1.80 1.70 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.53 7.81 37 I 7.77 4.00 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.42 0.83 0.00 0.00 38 T 8.29 4.99 4.25 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 1.33 0.00 0.00 39 L 8.79 4.10 0.00 1.79 1.56 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.72 4.25 0.00 3.89 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 41 G 9.57 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 42 T 7.42 4.74 4.25 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 1.22 0.00 0.00 43 D 8.60 4.70 0.00 2.80 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 44 N 7.88 5.02 0.00 2.73 2.99 0.00 0.00 6.11 6.93 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 45 G 8.50 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 0.00 0.00 0.00 0.00 46 C 8.61 4.94 0.00 2.84 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 47 K 8.78 4.34 0.00 1.80 1.77 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.21 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.40 7.81 48 P 0.00 4.69 0.00 2.14 2.32 0.00 3.73 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 2.10 1.99 0.00 49 V 7.60 5.13 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 0.68 0.00 0.00 1.07 0.00 0.00 50 N 9.28 4.89 0.00 2.55 2.24 0.00 0.00 6.95 7.31 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 51 T 8.69 4.82 3.35 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 1.02 0.00 0.00 52 F 9.07 4.76 0.00 2.81 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 53 I 8.76 4.30 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.50 0.98 0.00 0.00 54 L 8.70 5.21 0.00 1.67 1.67 1.02 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.49 4.72 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.82 4.60 0.00 2.88 2.77 0.00 0.00 6.63 6.11 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 57 K 8.73 4.25 0.00 2.29 2.21 0.00 1.84 0.00 0.00 1.95 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.63 1.74 7.81 58 R 8.07 3.99 0.00 1.94 2.05 0.00 3.16 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 59 L 7.94 4.09 0.00 1.71 2.01 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.04 3.89 2.18 0.00 0.00 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 1.32 0.74 1.06 0.00 0.00 61 K 8.45 3.89 0.00 1.95 1.91 0.00 0.95 0.00 0.00 1.29 0.00 0.00 2.26 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.27 7.81 62 T 7.81 3.88 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 63 V 7.93 3.54 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.01 0.00 0.00 64 C 8.14 4.71 0.00 3.11 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.56 3.99 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 0.00 0.00 0.00 66 R 8.95 4.02 0.00 1.93 2.05 0.00 3.02 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 67 A 8.01 4.63 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 68 G 7.64 5.03 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 0.00 0.00 0.00 69 S 8.95 5.06 0.00 3.72 3.69 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 70 P 0.00 4.71 0.00 2.06 2.04 0.00 3.71 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 71 Q 9.04 4.25 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.81 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 72 G 8.12 3.81 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 0.00 0.00 0.00 73 N 8.85 4.67 0.00 2.81 2.91 0.00 0.00 5.73 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 74 M 8.05 4.82 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 75 V 8.88 4.83 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 1.08 0.00 0.00 0.91 0.00 0.00 76 R 8.93 5.18 0.00 1.85 1.74 0.00 3.29 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 77 S 9.02 4.74 0.00 4.29 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 78 N 9.39 4.64 0.00 2.88 3.00 0.00 0.00 6.79 7.46 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 79 Q 7.98 5.05 0.00 1.82 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 7.04 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 80 P 0.00 4.39 0.00 1.75 0.95 0.00 3.54 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 81 F 9.17 4.90 0.00 2.86 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 82 P 0.00 4.88 0.00 2.15 2.19 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.00 0.00 83 V 8.96 4.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.05 0.00 0.00 84 V 8.90 4.77 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.96 0.00 0.00 85 K 9.11 4.72 0.00 1.89 1.69 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.43 7.81 86 C 8.85 5.34 0.00 2.77 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 87 V 8.96 5.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.99 0.00 0.00 88 L 9.21 3.80 0.00 1.90 1.46 0.44 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 89 N 9.09 4.73 0.00 2.78 2.98 0.00 0.00 6.23 7.10 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 90 N 7.91 4.85 0.00 2.75 2.52 0.00 0.00 7.45 7.91 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 91 G 9.01 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 92 E 8.82 4.74 0.00 1.98 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 2.29 2.32 0.00 93 R 7.83 5.13 0.00 1.91 2.00 0.00 3.03 0.00 0.00 3.46 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 94 H 8.85 4.49 0.00 3.00 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.69 0.00 2.04 1.97 0.00 2.38 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.74 0.00 96 Y 7.45 4.76 0.00 3.13 2.91 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 0.00 0.00 0.00 97 C 8.09 4.77 0.00 3.05 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 98 E 9.04 5.01 0.00 1.93 1.67 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 2.36 2.40 0.00 99 Y 9.61 5.25 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 0.00 100 R 9.26 4.57 0.00 1.77 1.89 0.00 3.10 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 101 G 8.77 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 0.00 0.00 0.00 0.00 102 T 8.85 4.80 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 103 R 8.66 4.83 0.00 1.81 1.84 0.00 3.49 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 104 S 8.92 4.75 0.00 3.81 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 0.00 105 T 8.42 5.03 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 1.14 0.00 0.00 106 R 9.06 4.79 0.00 1.77 1.86 0.00 3.35 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 107 Y 8.76 4.55 0.00 2.98 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.72 4.25 1.85 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.11 1.03 0.00 0.00 109 V 7.88 4.75 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 1.01 0.00 0.00 0.90 0.00 0.00 110 L 9.14 5.24 0.00 1.48 1.54 0.84 0.76 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 0.00 111 K 8.78 4.79 0.00 1.87 1.71 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.40 7.81 112 C 8.68 5.54 0.00 2.82 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 9.12 4.62 0.00 1.94 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 2.24 2.29 0.00 114 E 10.11 3.93 0.00 2.35 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 2.26 2.34 0.00 115 G 8.54 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 W 7.91 4.64 0.00 3.34 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 0.00 117 P 0.00 4.63 0.00 0.49 1.71 0.00 3.91 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 118 V 8.44 4.64 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.03 0.00 0.00 119 H 7.83 5.00 0.00 3.29 3.16 0.00 5.80 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 Y 8.28 4.86 0.00 2.67 2.26 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 0.00 121 H 8.52 4.55 0.00 3.15 3.15 0.00 5.80 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 0.00 122 E 8.51 4.57 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 2.38 2.29 0.00 123 D 8.39 4.56 0.00 2.71 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 0.00 124 E 8.58 4.13 0.00 1.95 1.87 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 2.31 2.35 0.00 125 V 8.05 4.49 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.96 0.00 0.00 126 N 8.63 4.73 0.00 2.67 2.73 0.00 0.00 6.97 7.71 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 0.00 127 V 8.26 4.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.92 0.00 0.00 128 G 8.56 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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