NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 R 4.3128 8.2549 119.7028 55.8117 31.5044 176.7059 8 K 4.2199 8.5571 124.5386 56.3709 29.4133 174.3805 9 T 4.7021 7.2053 116.4829 61.0747 73.1610 174.3746 10 S 4.1813 8.9018 120.4802 61.2548 63.0251 174.9480 11 S 4.3313 8.4562 116.5006 58.0381 63.4216 173.4486 12 L 3.4658 7.5628 123.6638 51.6853 40.7711 177.8978 13 S 4.1931 8.7466 119.4031 60.6679 62.7174 176.8051 14 I 3.5920 7.2943 123.0415 64.2723 36.7103 178.0755 15 L 4.0162 7.8033 118.1547 57.2042 41.4176 179.1971 16 A 4.1037 7.6367 120.0135 55.0271 18.5910 178.8786 17 I 3.7447 8.5905 117.4425 63.5533 37.7030 176.7681 18 A 4.4759 7.3893 121.7117 51.1925 19.6628 176.8510 19 G 3.7866 8.3279 106.5258 45.9806 0.0000 174.1935 20 V 4.0947 7.4010 119.2595 61.3639 32.6431 174.9226 21 E 4.7244 8.3146 124.4955 53.4235 31.9157 174.1635 22 P 5.0049 0.0000 0.0000 62.3521 31.7884 175.7476 23 Y 3.8520 8.1482 124.1950 58.1706 38.9741 176.7585 24 Q 4.0843 7.1764 125.6763 53.9651 27.6101 173.3988 25 E 4.1789 8.1430 123.1495 56.9139 29.8921 177.9761 26 K 4.2673 10.2495 124.7314 54.7685 32.5151 174.9659 27 P 3.9729 0.0000 0.0000 65.8198 31.7532 176.8709 28 G 4.1417 7.6852 106.9864 45.5037 0.0000 173.2943 29 E 4.1511 7.6633 118.9449 55.4810 29.9442 177.1918 30 E 4.3603 8.5612 120.8042 55.8961 32.0833 178.4253 31 Y 4.4974 9.1100 120.4650 59.9324 37.5006 179.5802 32 M 3.9225 8.9290 114.7755 54.5221 30.7243 175.7090 33 N 4.8069 7.7283 122.0075 50.9859 41.1466 175.5247 34 E 3.9082 8.7246 119.4150 59.9417 29.2677 179.7445 35 A 4.0397 8.0358 119.8300 55.0749 18.4786 179.6630 36 Q 3.2920 8.2395 116.8419 58.8086 28.8042 178.7686 37 L 4.3065 8.2661 120.5436 58.4170 40.6523 179.0497 38 A 3.9427 7.9550 122.1569 54.9713 18.2496 179.1314 39 H 3.9459 7.6685 116.9613 59.5965 29.9494 177.6686 40 F 4.2607 7.8711 119.3298 60.0600 38.6398 177.8529 41 R 3.7625 8.1802 119.1116 59.1580 29.7841 178.4703 42 R 3.8394 7.8194 118.2847 59.4454 30.0321 178.5507 43 I 3.6875 7.5859 119.4713 64.4397 37.0584 178.4374 44 L 4.2355 8.1703 119.8461 57.9324 41.3696 179.5095 45 E 3.9419 8.4667 118.3880 59.3415 29.4083 179.2878 46 A 4.0091 8.3008 121.0213 54.8086 18.4392 179.5033 47 W 4.2894 8.5362 127.0782 60.6423 30.8024 178.1289 48 R 3.7155 8.2947 118.8236 59.6574 29.5438 178.2796 49 N 4.3506 8.4491 116.3676 56.1487 38.4723 177.3302 50 Q 3.9781 8.1352 121.1647 59.1983 29.2122 178.1136 51 L 4.0176 8.0914 120.0569 57.9048 41.6277 179.7194 52 R 3.9038 8.1438 118.0079 59.4399 29.9974 178.9058 53 D 4.4003 8.0084 118.2250 57.2561 40.7496 178.7103 54 E 3.9852 8.0928 119.2925 59.3385 29.3893 179.5009 55 V 3.5854 7.9825 118.4158 65.9525 31.5026 177.9258 56 D 4.3118 8.0789 118.7207 57.4313 40.6459 178.9098 57 R 3.9266 8.1068 118.5731 59.4060 29.9817 179.2742 58 T 3.8175 8.0171 115.5186 66.7216 68.5434 176.7792 59 V 3.5592 7.9310 120.2107 66.3844 31.4776 178.1772 60 T 4.1568 8.0519 116.8360 66.3241 68.2248 176.2003 61 H 4.1926 8.4532 120.2794 59.5697 29.9227 177.1428 62 M 4.3137 8.3029 122.2501 58.0643 31.3793 178.8282 63 Q 4.1180 8.2614 118.0548 58.8567 28.8663 178.3498 64 D 4.4293 8.0602 120.1932 57.1748 40.5962 178.6115 65 E 3.9372 8.3246 119.2114 59.3168 29.2765 179.2250 66 A 3.7976 7.9740 119.4398 54.4327 18.3974 178.9556 67 A 4.0443 7.2042 118.6510 53.1489 19.2839 177.3819 68 N 4.3268 7.8577 116.0956 52.2643 38.5166 175.0976 69 F 4.3819 8.4309 123.7137 56.0334 39.2701 174.2237 70 P 4.6074 0.0000 0.0000 62.0067 32.3442 175.7005 71 D 4.6071 8.5624 118.5799 53.2930 41.6350 175.9551 72 P 4.1751 0.0000 0.0000 65.9932 31.6656 178.8840 73 V 3.6760 7.8540 116.5533 65.5982 31.6761 176.6056 74 D 4.8341 8.3459 118.3223 54.1349 40.8022 178.4510 75 R 3.8617 7.6114 120.2956 59.6785 30.3354 178.4272 76 A 4.0321 8.1420 119.7437 55.1597 17.9811 179.2235 77 A 4.8501 7.8157 119.5304 54.5526 18.8514 179.1663 78 Q 4.0912 7.8172 118.4211 59.3719 29.1943 178.1295 79 E 3.9652 8.2666 119.6980 59.2808 29.3327 178.9722 80 E 3.9567 8.1155 118.9503 59.4084 29.7886 178.5846 81 E 4.0348 8.3640 119.2638 58.9563 29.6706 178.4973 82 F 4.2398 8.5973 121.7401 61.0954 39.3751 177.3253 83 S 4.2359 8.4178 114.1387 61.2963 62.8041 176.4606 84 L 3.9502 7.7515 122.5244 57.5490 41.3274 179.1524 85 E 3.8594 8.0356 118.3888 59.3483 29.4341 179.0061 86 L 3.8482 7.6128 119.9609 58.2838 41.8861 179.0365 87 R 3.8795 7.9719 116.7325 59.3277 30.4146 178.1278 88 N 4.3768 8.4177 116.9045 56.8170 39.0807 176.4002 89 R 3.9916 8.4873 120.5725 60.0008 29.6586 178.1494 90 D 4.3939 8.1873 118.0784 57.1807 40.6893 179.1167 91 R 3.9344 7.9483 118.9063 59.2634 30.0431 178.8022 92 E 3.9426 8.1017 117.9005 59.4649 29.5190 179.4654 93 R 3.9152 7.8788 117.7366 59.0565 30.0421 179.3228 94 K 3.9390 7.6414 117.9165 59.1766 31.9712 179.1283 95 L 3.7896 7.9371 120.6222 58.2244 41.9246 179.0215 96 I 3.4765 7.9197 120.0605 64.4084 37.0044 178.6397 97 K 4.0818 7.9479 119.0784 59.0312 31.6929 179.4596 98 K 3.9021 7.8275 120.2495 59.4376 32.1586 179.0005 99 I 3.5730 7.8011 120.4132 64.3410 36.7403 178.1395 100 E 3.9361 8.0595 118.5624 59.3657 29.4563 179.0810 101 K 4.0773 7.9215 119.5372 59.8817 32.3978 179.0847 102 T 3.9777 8.1344 116.2724 66.4891 68.3710 176.7697 103 L 4.0128 8.4220 121.1537 57.2409 41.5175 179.3533 104 K 4.1315 7.7440 118.6343 58.7181 32.0026 179.4071 105 K 4.1174 7.8791 118.7618 59.1119 31.9318 179.4137 106 V 3.5962 7.6741 118.2807 66.0577 31.3029 177.6187 107 E 3.9171 7.9327 117.5705 59.3357 29.5527 177.7618 108 D 4.5799 8.3029 116.1403 53.7586 41.2589 176.0412 109 E 3.9791 8.3205 118.3470 57.8669 27.4399 174.0914 110 D 4.9914 8.9186 115.9482 53.9242 41.8655 174.9329 111 F 4.8382 8.3790 118.4983 57.3930 41.2145 175.5359 112 G 3.2502 7.9377 113.9293 44.9454 0.0000 172.4940 113 Y 4.9657 7.3199 115.7050 55.5330 41.2140 174.9185 114 C 4.3640 9.5291 123.6123 59.5634 32.0671 173.7767 115 E 4.1103 9.0887 127.9818 58.5454 29.6526 177.9484 116 S 4.2796 8.1255 112.9580 60.4136 62.6532 173.2393 117 C 4.8696 7.6287 114.6349 55.8199 31.7056 174.8302 118 G 3.7386 8.6375 109.8827 47.2212 0.0000 173.7829 119 V 3.6197 7.1901 119.3458 63.0961 32.7257 174.9613 120 E 4.0671 8.4902 125.2305 55.9178 30.2731 176.1609 121 I 4.1094 8.3154 124.9789 59.7646 38.5505 176.3010 122 G 3.8934 8.6814 114.2020 46.2741 0.0000 174.5529 123 I 3.7868 8.5661 122.6160 64.5103 36.9199 179.2560 124 R 4.1315 8.0613 118.2364 58.9722 29.9165 178.9904 125 R 3.9427 7.8472 118.5109 59.3405 30.3385 178.3311 126 L 4.1781 8.2331 118.8638 57.4734 41.4627 179.1409 127 E 4.4070 8.4502 118.4653 58.6966 29.1304 179.1503 128 A 4.1600 7.4233 120.0190 53.7502 19.9089 178.5480 129 R 4.4451 7.9820 119.2070 53.2178 31.0153 174.1926 130 P 4.8530 0.0000 0.0000 64.4294 31.5719 177.9596 131 T 4.4510 8.1100 114.1990 63.2452 68.8119 174.5815 132 A 4.0846 8.0485 125.8491 52.9938 18.9363 177.4688 133 D 4.7543 8.7892 121.3531 54.4477 42.5790 176.4086 134 L 5.0076 7.5742 116.9022 52.4332 44.9819 176.2046 135 C 4.4644 8.1682 115.8529 57.5176 32.2152 174.6102 136 I 3.6525 8.2125 121.9136 64.7142 36.5531 178.4297 137 D 4.3087 7.9492 118.9576 57.7553 40.8189 178.4947 138 C 4.1826 7.9962 116.6732 62.4612 28.2364 175.9707 139 K 3.9179 8.2955 121.5093 59.8973 31.7900 179.0917 140 T 4.0250 8.2527 116.3976 66.5152 68.2879 176.4012 141 L 3.9061 8.3523 122.5029 58.1627 42.0798 178.9083 142 A 3.9903 8.1703 120.6433 55.3154 18.2318 179.5182 143 E 3.9733 8.0735 116.8446 59.3827 29.3236 179.7806 144 I 3.6978 7.9047 120.0737 64.4902 37.1656 178.4605 145 R 3.9282 8.2551 119.2452 59.5002 29.7880 178.4579 146 E 4.1314 8.2294 117.9977 59.8779 29.4304 179.6012 147 K 3.8582 7.9920 117.7098 59.5413 31.8891 179.2754 148 Q 4.0996 7.5354 117.1531 58.7299 29.1619 177.9033 149 M 4.2226 8.7421 118.9485 58.1567 32.0561 177.1505 150 A 4.3116 8.3355 121.9120 53.6801 18.7189 177.4265 151 G 3.7139 7.9310 111.0862 45.1772 0.0000 173.1613 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 7 R 8.25 4.31 0.00 1.79 1.94 0.00 3.16 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 8 K 8.56 4.22 0.00 1.80 1.78 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.58 7.81 9 T 7.21 4.70 4.37 0.00 0.00 0.00 0.00 0.00 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 10 S 8.90 4.18 0.00 3.97 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 11 S 8.46 4.33 0.00 4.00 3.93 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 12 L 7.56 3.47 0.00 1.66 1.55 0.80 0.89 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 13 S 8.75 4.19 0.00 3.77 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.29 3.59 1.59 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.24 0.30 0.00 0.00 15 L 7.80 4.02 0.00 1.73 1.84 0.99 0.66 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 16 A 7.64 4.10 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 17 I 8.59 3.74 1.98 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.66 0.98 0.00 0.00 18 A 7.39 4.48 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 19 G 8.33 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 20 V 7.40 4.09 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 0.71 0.00 0.00 0.83 0.00 0.00 21 E 8.31 4.72 0.00 1.94 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 2.20 2.34 0.00 22 P 0.00 5.00 0.00 2.03 2.06 0.00 3.74 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 23 Y 8.15 3.85 0.00 2.32 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 7.18 4.08 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.71 0.00 0.00 0.00 0.00 0.00 2.02 1.81 0.00 25 E 8.14 4.18 0.00 2.25 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 2.31 2.38 0.00 26 K 10.25 4.27 0.00 1.81 1.77 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.55 7.81 27 P 0.00 3.97 0.00 2.05 2.04 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 28 G 7.69 4.14 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 0.00 0.00 0.00 29 E 7.66 4.15 0.00 2.10 1.98 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 2.42 2.50 0.00 30 E 8.56 4.36 0.00 2.16 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 2.32 2.35 0.00 31 Y 9.11 4.50 0.00 2.85 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 32 M 8.93 3.92 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 0.91 0.00 33 N 7.73 4.81 0.00 3.00 3.07 0.00 0.00 6.10 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 34 E 8.72 3.91 0.00 2.08 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 2.42 2.48 0.00 35 A 8.04 4.04 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.24 3.29 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 1.45 2.44 0.00 37 L 8.27 4.31 0.00 2.01 2.03 0.91 1.02 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 38 A 7.95 3.94 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 39 H 7.67 3.95 0.00 3.08 2.95 0.00 5.59 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 40 F 7.87 4.26 0.00 3.12 2.85 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 41 R 8.18 3.76 0.00 1.85 2.01 0.00 3.06 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 42 R 7.82 3.84 0.00 2.02 1.98 0.00 3.26 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 43 I 7.59 3.69 1.97 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.51 0.92 0.00 0.00 44 L 8.17 4.24 0.00 1.84 1.74 0.74 1.02 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 45 E 8.47 3.94 0.00 2.16 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 2.31 2.60 0.00 46 A 8.30 4.01 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 47 W 8.54 4.29 0.00 3.49 3.31 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 48 R 8.29 3.72 0.00 1.81 2.12 0.00 3.13 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 49 N 8.45 4.35 0.00 3.00 2.86 0.00 0.00 6.72 7.93 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 50 Q 8.14 3.98 0.00 2.27 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 51 L 8.09 4.02 0.00 1.79 1.62 0.51 0.88 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 52 R 8.14 3.90 0.00 1.99 1.96 0.00 3.13 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 53 D 8.01 4.40 0.00 2.86 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 54 E 8.09 3.99 0.00 2.21 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 0.00 2.34 2.33 0.00 55 V 7.98 3.59 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 1.08 0.00 0.00 0.92 0.00 0.00 56 D 8.08 4.31 0.00 2.87 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 57 R 8.11 3.93 0.00 1.99 1.97 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.99 0.00 58 T 8.02 3.82 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 1.14 0.00 0.00 59 V 7.93 3.56 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 1.02 0.00 0.00 0.91 0.00 0.00 60 T 8.05 4.16 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 61 H 8.45 4.19 0.00 3.28 3.45 0.00 5.79 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 62 M 8.30 4.31 0.00 1.83 2.14 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 1.89 0.00 63 Q 8.26 4.12 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.77 0.00 64 D 8.06 4.43 0.00 2.87 2.70 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 65 E 8.32 3.94 0.00 2.36 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 2.24 2.33 0.00 66 A 7.97 3.80 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 67 A 7.20 4.04 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 68 N 7.86 4.33 0.00 2.67 2.76 0.00 0.00 7.11 7.36 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 69 F 8.43 4.38 0.00 3.01 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 70 P 0.00 4.61 0.00 2.20 2.23 0.00 3.84 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 71 D 8.56 4.61 0.00 2.89 2.63 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 72 P 0.00 4.18 0.00 2.17 2.15 0.00 3.60 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 2.13 2.12 0.00 73 V 7.85 3.68 2.09 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 0.80 0.00 0.00 0.94 0.00 0.00 74 D 8.35 4.83 0.00 2.72 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.61 3.86 0.00 2.05 1.92 0.00 3.11 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.65 0.00 76 A 8.14 4.03 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 77 A 7.82 4.85 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.82 4.09 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 79 E 8.27 3.97 0.00 2.08 1.98 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 2.26 2.58 0.00 80 E 8.12 3.96 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 81 E 8.36 4.03 0.00 2.14 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 2.46 2.35 0.00 82 F 8.60 4.24 0.00 3.32 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 83 S 8.42 4.24 0.00 4.16 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.75 3.95 0.00 1.79 1.76 0.96 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.04 3.86 0.00 2.07 1.76 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 2.28 2.29 0.00 86 L 7.61 3.85 0.00 1.55 1.85 0.88 0.86 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 87 R 7.97 3.88 0.00 1.89 1.98 0.00 3.24 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 1.67 1.78 0.00 88 N 8.42 4.38 0.00 2.81 2.99 0.00 0.00 6.91 7.26 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 89 R 8.49 3.99 0.00 1.83 2.11 0.00 3.10 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 1.59 1.65 0.00 90 D 8.19 4.39 0.00 2.86 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 91 R 7.95 3.93 0.00 2.06 1.96 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 92 E 8.10 3.94 0.00 2.10 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 2.39 2.62 0.00 93 R 7.88 3.92 0.00 1.95 1.94 0.00 3.25 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 94 K 7.64 3.94 0.00 1.99 1.82 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.62 7.81 95 L 7.94 3.79 0.00 1.84 1.44 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 96 I 7.92 3.48 1.99 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 1.38 0.40 0.85 0.00 0.00 97 K 7.95 4.08 0.00 1.88 1.82 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.72 1.55 7.81 98 K 7.83 3.90 0.00 1.82 1.88 0.00 1.51 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.47 7.81 99 I 7.80 3.57 1.77 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.09 0.84 0.00 0.00 100 E 8.06 3.94 0.00 2.12 1.98 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 2.31 2.27 0.00 101 K 7.92 4.08 0.00 1.90 2.01 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 102 T 8.13 3.98 4.40 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 1.36 0.00 0.00 103 L 8.42 4.01 0.00 1.75 1.68 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.74 4.13 0.00 1.92 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.54 7.81 105 K 7.88 4.12 0.00 2.11 2.01 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.80 7.81 106 V 7.67 3.60 2.14 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 0.95 0.00 0.00 0.37 0.00 0.00 107 E 7.93 3.92 0.00 2.00 2.14 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 2.33 2.36 0.00 108 D 8.30 4.58 0.00 2.72 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 0.00 109 E 8.32 3.98 0.00 2.14 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 0.00 2.29 2.42 0.00 110 D 8.92 4.99 0.00 2.57 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.38 4.84 0.00 2.98 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 0.00 112 G 7.94 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 0.00 0.00 0.00 113 Y 7.32 4.97 0.00 2.86 3.16 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 0.00 0.00 0.00 0.00 114 C 9.53 4.36 0.00 2.95 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 0.00 115 E 9.09 4.11 0.00 2.07 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 2.33 2.30 0.00 116 S 8.13 4.28 0.00 3.87 3.86 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 0.00 117 C 7.63 4.87 0.00 3.11 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 G 8.64 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 0.00 119 V 7.19 3.62 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 0.85 0.00 0.00 0.91 0.00 0.00 120 E 8.49 4.07 0.00 1.19 1.12 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 2.14 2.13 0.00 121 I 8.32 4.11 1.66 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 1.08 0.34 0.82 0.00 0.00 122 G 8.68 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 0.00 123 I 8.57 3.79 2.03 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 1.78 0.79 1.21 0.00 0.00 124 R 8.06 4.13 0.00 1.90 2.03 0.00 3.17 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 125 R 7.85 3.94 0.00 1.87 2.06 0.00 3.16 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 126 L 8.23 4.18 0.00 1.47 1.17 -0.06 0.85 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 0.00 127 E 8.45 4.41 0.00 2.35 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 0.00 2.65 3.08 0.00 128 A 7.42 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 0.00 129 R 7.98 4.45 0.00 1.84 1.90 0.00 3.41 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 130 P 0.00 4.85 0.00 2.44 2.54 0.00 3.25 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.11 0.00 131 T 8.11 4.45 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 132 A 8.05 4.08 1.26 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 0.00 0.00 133 D 8.79 4.75 0.00 2.80 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 0.00 134 L 7.57 5.01 0.00 1.58 1.53 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 135 C 8.17 4.46 0.00 3.10 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 0.00 136 I 8.21 3.65 1.85 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 1.62 0.49 0.90 0.00 0.00 137 D 7.95 4.31 0.00 2.67 2.70 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 0.00 138 C 8.00 4.18 0.00 2.96 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 0.00 139 K 8.30 3.92 0.00 1.93 1.97 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 140 T 8.25 4.02 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 0.00 141 L 8.35 3.91 0.00 1.71 1.94 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.17 3.99 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 0.00 143 E 8.07 3.97 0.00 2.20 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 2.33 2.69 0.00 144 I 7.90 3.70 1.99 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 1.77 1.56 0.91 0.00 0.00 145 R 8.26 3.93 0.00 1.98 1.99 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 146 E 8.23 4.13 0.00 2.19 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 2.34 2.52 0.00 147 K 7.99 3.86 0.00 1.91 1.88 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.50 7.81 148 Q 7.54 4.10 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 149 M 8.74 4.22 0.00 1.93 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.55 0.00 150 A 8.34 4.31 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 0.00 151 G 7.93 3.71 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 0.00 0.00 0.00