NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 K 4.2304 8.3101 120.1344 55.7613 33.5022 175.3709 14 A 3.8671 8.5963 126.6749 51.4224 18.8411 175.2467 15 K 4.2102 8.2820 123.4531 55.6098 34.2394 176.0616 16 S 4.3607 8.4442 120.8523 58.2594 65.2105 175.4817 17 R 3.9518 8.5857 122.5501 59.6199 29.8327 179.4673 18 S 4.1188 8.0347 114.2922 61.6998 62.9581 176.1815 19 S 4.1065 8.1526 115.7424 61.9178 61.8430 176.7133 20 R 3.9899 7.9385 118.5555 58.5175 29.8561 177.9533 21 A 4.4615 7.7013 117.9501 51.5296 19.1911 177.6990 22 G 3.8367 7.8551 105.2217 45.8178 0.0000 173.4924 23 L 4.8773 7.8122 118.0073 52.7448 44.3910 176.7218 24 Q 4.3218 9.6532 120.3045 58.0379 29.4393 177.3732 25 F 4.0081 8.6392 115.6158 56.4697 39.7015 173.9798 26 P 4.4979 0.0000 0.0000 62.2078 31.5561 177.3427 27 V 3.7423 8.6706 124.4939 65.8985 31.5789 178.1075 28 G 3.6045 8.0364 105.0636 47.7376 0.0000 175.5202 29 R 3.9162 7.9331 120.8560 59.1566 30.1438 178.4656 30 V 3.6179 8.2877 118.5092 66.2842 31.4769 177.4164 31 H 4.1735 8.6136 118.2180 59.3709 29.6689 177.1616 32 R 3.9366 8.1735 120.4549 59.5604 29.8151 178.5076 33 L 4.0941 8.3142 118.9397 57.5610 41.3868 179.3470 34 L 4.2296 8.3988 119.4819 58.0474 41.4560 179.8415 35 R 4.0714 8.2512 117.9863 59.1663 29.8146 179.2583 36 K 4.1320 8.4219 117.8595 58.8644 32.1076 178.8139 37 G 3.3371 7.8577 103.6379 43.9960 0.0000 172.6547 38 N 4.0793 7.4230 118.9898 54.8133 37.6457 173.7778 39 Y 4.2622 7.4178 115.7998 60.3058 38.9409 175.7664 40 A 4.5447 7.4469 119.8407 51.0302 22.1515 175.5609 41 E 4.1192 8.8607 119.9227 58.6724 29.8418 177.1923 42 R 4.6785 7.7341 115.0009 54.0656 33.6302 174.7090 43 V 4.3188 8.2679 120.3902 60.6576 33.2365 175.7988 44 G 3.7946 8.5198 116.0400 45.2663 0.0000 173.8074 45 A 4.0165 8.5554 123.6502 54.6926 18.8768 180.1752 46 G 3.7369 8.0897 102.0979 47.0993 0.0000 175.4920 47 A 4.0040 7.6202 123.5626 54.9965 18.3195 178.0696 48 P 4.1943 0.0000 0.0000 65.6288 31.3655 178.8390 49 V 3.5627 7.7347 117.8979 66.0127 31.6286 177.0570 50 Y 3.8473 8.1494 119.3074 60.6114 38.5738 177.8969 51 L 4.0103 8.3692 121.1265 58.2221 42.2820 178.6026 52 A 4.0376 8.4382 120.8987 55.2708 18.2734 179.4478 53 A 3.8788 8.0242 119.1791 55.1638 18.3221 180.1174 54 V 3.5396 7.8124 116.6809 66.2212 31.6832 178.2532 55 L 3.8145 8.0269 118.9510 57.6467 41.2789 179.2696 56 E 2.7719 7.7399 119.1904 58.8525 29.5352 178.1384 57 Y 4.0020 7.9089 119.5704 60.7955 38.8708 178.1653 58 L 3.5818 8.0443 120.0812 57.8354 41.6318 179.7019 59 T 3.7834 7.6720 115.5375 66.4625 68.3248 176.5356 60 A 3.9416 8.0284 122.9170 55.0873 18.3662 179.4627 61 E 3.7249 7.8374 116.9214 59.6882 29.4691 179.7540 62 I 3.6809 7.6526 119.6338 64.3983 37.0842 178.6250 63 L 3.9780 8.0583 119.9206 57.4310 41.4105 179.0325 64 E 3.8825 8.4883 119.7672 59.4899 29.6587 178.9655 65 L 3.9757 7.9273 118.6300 57.7537 41.5932 179.4868 66 A 4.1622 8.4938 121.2788 54.7807 18.3584 179.9501 67 G 3.5149 8.3191 104.5343 47.9186 0.0000 175.4516 68 N 4.2626 8.0601 118.9646 56.2537 38.5259 177.3692 69 A 3.9986 8.1065 121.4886 54.9484 18.3795 179.5213 70 A 3.5340 8.1948 119.8886 55.2195 18.3308 180.1357 71 R 3.8363 7.8992 116.5202 59.5415 29.9915 178.9079 72 D 4.4212 8.2329 117.6670 56.4259 40.7561 177.1420 73 N 4.9017 7.4095 114.4065 52.7151 39.0350 174.5133 74 K 3.9046 8.1686 115.1608 57.7845 30.0101 175.9068 75 K 4.7078 8.0847 116.5154 54.9582 34.9629 176.6406 76 T 4.4775 8.4571 109.9416 61.2229 69.7043 173.8938 77 R 4.5392 7.6504 122.0599 54.3599 32.6522 174.4678 78 I 4.0355 8.5372 126.8441 61.2251 37.8469 175.2785 79 I 4.5627 8.0578 117.5351 57.7554 40.6204 174.3836 80 P 4.1951 0.0000 0.0000 65.9031 30.8424 178.4553 81 R 3.8459 8.0354 116.7268 60.2042 29.7338 178.0580 82 H 4.2898 8.0975 115.5135 58.7173 28.5572 177.8373 83 L 3.9802 7.8707 120.5145 57.7033 41.4494 179.1889 84 Q 3.9181 8.3597 119.7020 59.1886 29.0677 178.0638 85 L 3.9535 8.1613 119.9823 57.7856 41.4319 179.4574 86 A 3.9675 7.9884 119.5848 55.2161 18.6419 179.5458 87 I 3.8060 7.9649 118.4639 64.7229 37.0556 178.9089 88 R 4.1216 8.0091 117.0997 58.4445 30.0891 177.8866 89 N 4.7257 7.9665 114.3273 52.7804 38.9730 174.0532 90 D 4.8498 7.4963 121.8243 51.9612 43.2482 176.0664 91 E 3.9329 8.9307 127.4846 59.5381 29.5761 178.5683 92 E 4.0188 8.1298 117.9533 59.3664 29.8141 179.0452 93 L 3.9719 8.2642 119.0530 57.6811 41.3958 179.0734 94 N 4.3202 8.3197 116.8121 56.4409 38.9378 176.6279 95 K 4.0814 7.7738 119.9515 59.2981 32.4115 178.0920 96 L 4.1361 7.9823 119.8228 57.4482 42.3382 178.4365 97 L 4.8569 7.9291 118.4046 54.3562 42.9395 179.1497 98 G 3.6283 8.2968 110.3427 48.0071 0.0000 175.3826 99 K 4.4489 7.9514 116.6606 55.8813 32.4539 175.7332 100 V 4.1725 7.5040 119.1571 61.7185 32.5772 175.2643 101 T 4.4233 8.2835 122.9796 61.8427 70.0833 174.1691 102 I 4.0606 8.1942 127.7047 59.5978 37.2922 175.2321 103 A 4.1362 8.5405 128.9458 53.8427 18.5356 176.6877 104 Q 3.6028 8.8571 119.7432 56.8508 26.4392 175.2529 105 G 3.5812 8.1749 109.8317 46.2498 0.0000 176.2640 106 G 3.8843 7.9268 107.6208 44.9974 0.0000 172.4318 107 V 4.5175 7.8980 110.8524 58.7575 35.0130 175.3981 108 L 4.0636 8.2563 121.2469 54.1404 41.9191 175.7618 109 P 4.1896 0.0000 0.0000 63.0421 31.5031 175.6364 110 N 4.2485 8.2641 116.9675 53.2239 41.0149 173.2153 111 I 4.4971 8.2348 126.9063 59.0798 39.6374 175.8259 112 Q 4.0511 8.5210 123.5053 55.7716 29.4799 177.1182 113 A 3.9627 8.8799 125.7732 55.4249 18.5068 179.7568 114 V 3.6456 7.8023 113.4193 65.3840 31.5816 176.6170 115 L 4.2724 7.8340 118.0293 56.0445 41.9677 177.0792 116 L 4.3950 7.6649 118.7455 52.8904 42.5137 174.7385 117 P 4.3900 0.0000 0.0000 62.0438 32.1021 176.4065 118 K 3.9625 8.8050 121.1326 57.1698 31.8987 175.9858 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 13 K 8.31 4.23 0.00 1.76 1.83 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.45 7.81 14 A 8.60 3.87 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 15 K 8.28 4.21 0.00 1.74 1.72 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.43 7.81 16 S 8.44 4.36 0.00 4.10 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 17 R 8.59 3.95 0.00 1.90 2.06 0.00 3.17 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 18 S 8.03 4.12 0.00 3.88 4.15 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 19 S 8.15 4.11 0.00 3.89 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 20 R 7.94 3.99 0.00 2.02 1.99 0.00 3.21 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 21 A 7.70 4.46 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 22 G 7.86 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 23 L 7.81 4.88 0.00 1.67 1.77 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 9.65 4.32 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 25 F 8.64 4.01 0.00 2.97 3.04 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 26 P 0.00 4.50 0.00 2.26 2.19 0.00 3.65 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.92 0.00 27 V 8.67 3.74 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 1.13 0.00 0.00 0.97 0.00 0.00 28 G 8.04 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 29 R 7.93 3.92 0.00 1.94 2.09 0.00 3.26 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 30 V 8.29 3.62 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 1.13 0.00 0.00 1.11 0.00 0.00 31 H 8.61 4.17 0.00 3.39 3.41 0.00 5.66 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 32 R 8.17 3.94 0.00 1.95 2.07 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 33 L 8.31 4.09 0.00 1.94 1.78 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.40 4.23 0.00 1.95 1.83 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.25 4.07 0.00 2.03 1.99 0.00 3.05 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 36 K 8.42 4.13 0.00 1.96 1.88 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.57 7.81 37 G 7.86 3.34 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 0.00 38 N 7.42 4.08 0.00 2.63 2.65 0.00 0.00 7.15 7.39 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 39 Y 7.42 4.26 0.00 3.08 2.97 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 40 A 7.45 4.54 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 41 E 8.86 4.12 0.00 1.95 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 2.30 2.34 0.00 42 R 7.73 4.68 0.00 1.80 1.79 0.00 3.21 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 43 V 8.27 4.32 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 0.85 0.00 0.00 1.02 0.00 0.00 44 G 8.52 3.79 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 0.00 0.00 0.00 45 A 8.56 4.02 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 46 G 8.09 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 0.00 0.00 0.00 47 A 7.62 4.00 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 48 P 0.00 4.19 0.00 2.43 2.33 0.00 3.61 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.57 0.00 49 V 7.73 3.56 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 1.03 0.00 0.00 1.01 0.00 0.00 50 Y 8.15 3.85 0.00 3.28 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 51 L 8.37 4.01 0.00 1.82 1.78 0.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.44 4.04 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.02 3.88 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 54 V 7.81 3.54 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.99 0.00 0.00 55 L 8.03 3.81 0.00 1.46 1.52 1.03 1.10 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 56 E 7.74 2.77 0.00 1.62 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 2.24 2.24 0.00 57 Y 7.91 4.00 0.00 3.04 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 58 L 8.04 3.58 0.00 1.59 1.58 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.67 3.78 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 1.35 0.00 0.00 60 A 8.03 3.94 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 61 E 7.84 3.72 0.00 1.79 1.81 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 1.57 1.94 0.00 62 I 7.65 3.68 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.76 0.89 0.00 0.00 63 L 8.06 3.98 0.00 1.67 1.71 0.95 0.69 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 64 E 8.49 3.88 0.00 2.01 2.20 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 2.28 2.38 0.00 65 L 7.93 3.98 0.00 1.72 1.69 0.89 0.72 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 66 A 8.49 4.16 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 67 G 8.32 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 68 N 8.06 4.26 0.00 2.95 2.88 0.00 0.00 6.95 7.94 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 69 A 8.11 4.00 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 70 A 8.19 3.53 1.23 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 71 R 7.90 3.84 0.00 1.98 1.97 0.00 3.30 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 72 D 8.23 4.42 0.00 2.59 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 73 N 7.41 4.90 0.00 2.74 2.81 0.00 0.00 7.02 7.49 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 74 K 8.17 3.90 0.00 1.90 1.91 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.39 7.81 75 K 8.08 4.71 0.00 1.85 1.70 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.53 7.81 76 T 8.46 4.48 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 1.21 0.00 0.00 77 R 7.65 4.54 0.00 1.74 1.82 0.00 3.24 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 78 I 8.54 4.04 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.67 0.94 0.00 0.00 79 I 8.06 4.56 1.81 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 0.97 0.77 0.96 0.00 0.00 80 P 0.00 4.20 0.00 2.29 2.27 0.00 3.59 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 2.10 2.15 0.00 81 R 8.04 3.85 0.00 1.85 1.80 0.00 3.22 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 82 H 8.10 4.29 0.00 3.30 3.46 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 83 L 7.87 3.98 0.00 1.85 1.72 0.93 1.02 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 84 Q 8.36 3.92 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.66 2.44 0.00 85 L 8.16 3.95 0.00 1.74 1.72 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.99 3.97 1.32 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 87 I 7.96 3.81 1.93 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 1.51 0.54 0.91 0.00 0.00 88 R 8.01 4.12 0.00 1.76 1.99 0.00 3.28 0.00 0.00 3.51 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 89 N 7.97 4.73 0.00 2.86 2.86 0.00 0.00 6.74 8.10 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 D 7.50 4.85 0.00 2.80 2.61 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 91 E 8.93 3.93 0.00 2.07 1.94 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 2.38 2.41 0.00 92 E 8.13 4.02 0.00 2.06 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 0.00 2.41 2.40 0.00 93 L 8.26 3.97 0.00 1.69 1.70 0.88 0.37 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 94 N 8.32 4.32 0.00 2.91 3.04 0.00 0.00 7.19 6.45 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 95 K 7.77 4.08 0.00 1.83 1.95 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.44 7.81 96 L 7.98 4.14 0.00 1.65 1.87 0.93 1.30 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 97 L 7.93 4.86 0.00 1.81 1.62 0.91 0.65 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 98 G 8.30 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 99 K 7.95 4.45 0.00 1.74 1.82 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.40 7.81 100 V 7.50 4.17 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 0.78 0.00 0.00 0.94 0.00 0.00 101 T 8.28 4.42 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 1.21 0.00 0.00 102 I 8.19 4.06 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.19 0.91 0.00 0.00 103 A 8.54 4.14 1.24 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 0.00 0.00 0.00 104 Q 8.86 3.60 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.06 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 105 G 8.17 3.58 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 0.00 106 G 7.93 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.90 4.52 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 0.79 0.00 0.00 0.93 0.00 0.00 108 L 8.26 4.06 0.00 1.63 1.61 0.92 1.07 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 0.00 109 P 0.00 4.19 0.00 2.04 2.01 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 110 N 8.26 4.25 0.00 2.59 2.66 0.00 0.00 7.10 7.94 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 0.00 111 I 8.23 4.50 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.75 0.91 0.00 0.00 112 Q 8.52 4.05 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 113 A 8.88 3.96 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 0.00 114 V 7.80 3.65 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 0.83 0.00 0.00 0.93 0.00 0.00 115 L 7.83 4.27 0.00 1.80 1.70 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.66 4.40 0.00 1.74 1.59 0.92 0.88 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 0.00 117 P 0.00 4.39 0.00 2.17 2.05 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 118 K 8.81 3.96 0.00 1.73 1.77 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.47 7.81