NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3346 8.2549 119.7106 55.5472 30.7452 173.9313 3 H 3.7028 8.2038 116.1589 56.3862 29.5217 171.2255 4 L 3.9046 10.8200 130.7967 55.8242 42.8521 173.1696 5 K 4.3849 8.0340 123.0266 56.5351 36.3797 174.8058 6 S 4.7955 8.0702 113.5451 56.2346 65.5554 173.1388 7 G 3.9948 8.2437 109.6979 43.7743 0.0000 173.8606 8 R 4.3373 8.5800 118.1886 56.2603 27.1493 175.8728 9 K 4.1337 8.1478 120.9790 56.9153 33.3800 178.0414 10 L 4.1212 7.9118 117.6434 54.7149 43.2838 174.1681 11 N 4.5414 8.4782 122.8636 52.7882 40.4085 174.3499 12 R 3.9109 9.7614 120.5708 55.7935 30.0352 176.5874 13 H 4.6604 7.8660 115.2797 54.8334 31.0625 175.6732 14 S 3.9546 8.7104 115.2673 62.0487 62.2567 176.2575 15 S 4.0494 8.1813 116.4884 60.9822 62.0314 176.0746 16 H 3.9390 8.0399 119.7872 59.3415 29.8646 176.7693 17 R 3.5594 8.2936 120.8369 59.2803 29.6698 178.1940 18 L 3.5270 7.9397 119.7831 58.0647 42.1423 178.5603 19 A 3.9307 7.5712 120.3301 55.3003 18.1322 178.9527 20 L 3.7835 7.8630 118.8005 58.6102 42.1117 178.5372 21 Y 4.3968 7.3870 115.7158 61.4701 37.8580 179.2313 22 R 4.2041 8.2080 118.4761 59.6957 30.1685 178.7616 23 N 4.5113 8.6402 116.4744 56.5308 38.4993 177.6657 24 Q 3.9788 8.4558 119.1280 58.8640 28.9760 178.0159 25 A 4.0431 8.5843 122.1720 55.3608 18.1774 179.5398 26 K 3.8295 8.3447 115.6567 59.9130 32.3866 179.3078 27 S 4.2310 7.8440 114.8095 61.7274 62.7459 176.6388 28 L 4.0202 8.6113 122.9454 57.3738 41.3951 177.8394 29 L 4.8483 7.6039 117.3228 54.8241 42.3441 177.1911 30 T 4.4709 8.1131 116.5961 63.9533 71.1958 174.6147 31 H 4.8110 8.0534 115.6233 54.5024 30.7484 175.9469 32 G 4.2549 8.3010 111.3269 45.4326 0.0000 173.7593 33 R 4.9596 8.3587 117.9675 54.3745 33.2133 175.3429 34 I 4.7117 9.0052 124.6113 59.7007 41.2741 174.9287 35 T 5.0448 8.5049 120.5908 62.4405 71.1020 172.9593 36 T 4.5580 8.3993 119.9151 60.0466 71.1664 173.1969 37 T 4.5934 7.8531 111.2835 61.7181 71.1389 174.8653 38 V 3.5093 8.0533 121.8970 66.3264 31.4388 176.5388 39 P 4.2406 0.0000 0.0000 65.8919 31.3918 178.5951 40 K 3.9436 8.0334 116.5464 59.8394 31.9210 178.9310 41 A 3.9940 8.1505 120.9641 54.8300 18.2332 179.5448 42 K 3.7907 8.3246 116.9134 59.5370 32.2391 178.8603 43 E 3.9876 7.8918 118.6554 59.1046 29.5689 177.8914 44 L 3.9065 7.6582 120.2792 57.8285 42.0269 178.2343 45 R 3.7401 8.5028 113.9524 60.1657 29.5716 177.4243 46 G 3.9313 8.8731 108.5210 47.9342 0.0000 174.4967 47 F 4.3353 7.8676 122.1519 61.0781 39.3179 177.6136 48 V 3.2450 7.9353 117.9132 66.1191 31.3235 177.1882 49 D 4.1911 8.1467 117.8843 58.0834 40.6761 178.2573 50 H 3.9460 7.9979 118.0705 59.7473 29.5600 177.2168 51 L 3.8165 6.8798 118.9386 57.7331 41.7133 179.0218 52 I 3.5432 7.7098 120.0861 64.6778 36.8395 177.6777 53 H 3.7668 7.9804 119.0416 59.3974 29.4052 177.1061 54 L 3.8858 7.5667 120.7082 57.7142 41.8937 178.4663 55 A 3.2534 7.9008 120.7780 54.4899 18.3144 179.0905 56 K 3.7506 7.1532 116.6905 59.4033 33.4571 178.7754 57 R 4.2265 7.5574 115.2753 55.1864 28.1978 178.0692 58 G 3.6116 7.4686 102.2271 45.7908 0.0000 172.3466 59 D 4.6617 8.7376 120.6628 52.0946 40.8068 176.9722 60 L 3.9503 8.6247 119.6969 58.6392 41.9911 177.7274 61 H 4.0886 8.4616 117.5071 59.6405 29.5329 176.5307 62 A 4.0267 8.0253 122.2056 55.2360 18.1235 179.2588 63 R 3.8062 7.9731 116.9245 59.8732 29.9777 178.8137 64 R 4.0072 8.0505 117.2818 59.2150 30.3428 179.0419 65 L 4.0823 7.8891 118.7518 57.9024 41.9288 179.5659 66 V 3.5765 8.1009 118.3829 65.8133 31.1620 177.6046 67 L 3.9302 8.0927 119.8998 58.0824 41.8084 178.9292 68 R 4.0702 7.7635 117.4474 59.0660 30.0580 178.3438 69 D 4.5851 7.8757 116.7736 56.1381 41.7350 177.0332 70 L 4.4230 6.9754 117.3604 54.2141 42.5882 176.5284 71 Q 4.3748 8.3126 120.5216 56.3364 31.2071 175.7101 72 D 4.3908 7.9197 117.5877 53.8355 41.9059 176.3205 73 V 3.5013 8.4064 127.2314 65.9855 31.5654 177.6128 74 K 3.8263 8.1670 117.6220 59.6343 31.9680 178.6997 75 L 3.9454 7.6290 119.0733 58.0236 41.8792 179.2855 76 V 3.4779 8.0545 119.4786 65.0274 31.0982 178.2281 77 R 3.7834 8.0263 118.9671 58.7977 29.9828 178.6504 78 K 3.6389 8.1417 119.1575 59.9829 31.9499 178.1881 79 L 4.0165 7.9066 120.4753 57.9692 41.9027 178.7268 80 F 4.2104 8.6396 117.5165 60.9153 39.1148 177.3324 81 D 4.5453 8.8677 117.3895 57.2034 40.8016 177.5934 82 E 4.3802 7.9885 116.4115 58.8539 30.6150 177.7825 83 I 3.5745 8.6784 118.8192 64.4794 37.1785 177.9953 84 A 4.1567 9.1807 121.5867 55.1764 18.3219 177.7302 85 P 4.1288 0.0000 0.0000 66.0027 31.4042 178.3450 86 R 3.8259 7.1673 114.9213 58.2036 31.9437 176.6075 87 Y 4.1746 8.5844 113.7558 57.1490 38.1408 178.5604 88 R 3.9718 9.7800 129.1786 58.3019 30.8927 175.0942 89 D 4.7630 9.7591 113.7977 53.8906 41.9268 175.9726 90 R 4.4044 7.7459 119.8740 54.9973 31.1958 176.3558 91 Q 4.2049 8.3628 125.0981 54.5502 27.6036 176.0952 92 G 3.6957 8.0713 110.6076 45.1238 0.0000 170.4593 93 G 3.6548 7.7613 103.5929 46.8068 0.0000 174.0839 94 Y 4.2673 8.0695 112.8460 58.1212 38.8052 176.0707 95 T 4.9364 7.6602 116.5828 61.5966 71.6080 173.2747 96 R 4.7063 8.9132 125.5561 54.4214 33.5673 174.2662 97 V 4.9216 8.4116 124.3862 61.1474 34.1354 174.4358 98 L 4.9462 9.0354 128.0271 52.6161 45.2967 175.8142 99 K 4.5952 8.7097 123.5235 56.4357 33.5395 176.7970 100 L 4.4360 8.2902 124.0728 54.1878 42.6460 176.4846 101 A 4.3130 8.4351 124.1919 52.3142 20.0762 175.9240 102 E 3.9791 8.9715 121.9600 57.0096 28.2748 175.2833 103 R 4.5394 8.0830 122.1600 54.5450 32.0655 176.6182 104 R 4.0497 8.2014 118.7734 56.8920 30.7269 177.4872 105 R 4.5954 8.1756 122.4374 53.5107 28.6159 174.9081 106 G 4.1559 7.7442 109.0503 46.2807 0.0000 171.8995 107 D 4.5028 8.4325 114.4022 52.9448 43.1646 175.4695 108 G 3.8322 8.1034 107.7291 46.5308 0.0000 173.4673 109 A 4.3393 8.6917 122.7815 50.5636 19.8781 176.0416 110 P 4.6864 0.0000 0.0000 62.6564 32.9026 176.1074 111 L 5.1395 8.4768 123.7341 53.8497 44.7250 174.6930 112 A 5.1387 8.8471 121.1448 51.2163 23.2778 175.1032 113 L 5.1797 9.3064 119.3520 53.9681 44.0704 175.6657 114 V 4.8452 9.0939 121.3499 61.2896 33.9456 174.1151 115 E 5.1344 9.2620 128.6637 54.3860 32.8690 175.6104 116 L 4.6198 8.2519 122.0795 53.7780 42.3051 173.6554 117 V 3.2688 7.9896 125.4708 61.0710 32.5307 171.8128 118 E 4.7862 8.7869 124.9399 57.0746 29.9346 176.4180 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 2 R 8.25 4.33 0.00 1.83 1.99 0.00 3.20 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 3 H 8.20 3.70 0.00 3.13 3.28 0.00 5.92 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 4 L 10.82 3.90 0.00 1.76 1.88 1.01 0.61 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 5 K 8.03 4.38 0.00 1.72 1.75 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 1.27 7.81 6 S 8.07 4.80 0.00 3.94 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 7 G 8.24 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 8 R 8.58 4.34 0.00 1.89 2.36 0.00 3.39 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 9 K 8.15 4.13 0.00 1.88 1.83 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.83 1.51 7.81 10 L 7.91 4.12 0.00 1.60 1.60 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.48 4.54 0.00 2.66 2.70 0.00 0.00 7.30 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 R 9.76 3.91 0.00 1.87 1.61 0.00 3.15 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 13 H 7.87 4.66 0.00 3.37 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.71 3.95 0.00 4.05 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 15 S 8.18 4.05 0.00 3.92 4.01 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 16 H 8.04 3.94 0.00 2.99 3.06 0.00 5.94 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 17 R 8.29 3.56 0.00 1.77 1.82 0.00 2.98 0.00 0.00 3.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.31 0.00 18 L 7.94 3.53 0.00 1.78 1.55 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.57 3.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.86 3.78 0.00 1.61 1.58 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.39 4.40 0.00 2.61 1.78 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 22 R 8.21 4.20 0.00 2.06 2.08 0.00 3.20 0.00 0.00 3.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.87 0.00 23 N 8.64 4.51 0.00 2.92 2.91 0.00 0.00 7.16 6.90 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 24 Q 8.46 3.98 0.00 2.39 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.66 0.00 25 A 8.58 4.04 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 26 K 8.34 3.83 0.00 1.87 1.91 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.72 7.81 27 S 7.84 4.23 0.00 4.05 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 28 L 8.61 4.02 0.00 1.82 1.84 0.94 0.71 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 29 L 7.60 4.85 0.00 1.83 1.64 0.91 0.64 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 30 T 8.11 4.47 4.17 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 0.98 0.00 0.00 31 H 8.05 4.81 0.00 3.18 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.30 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 0.00 0.00 0.00 0.00 33 R 8.36 4.96 0.00 1.63 1.84 0.00 3.31 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 34 I 9.01 4.71 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.19 0.95 0.00 0.00 35 T 8.50 5.04 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 1.26 0.00 0.00 36 T 8.40 4.56 4.27 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 1.24 0.00 0.00 37 T 7.85 4.59 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 1.23 0.00 0.00 38 V 8.05 3.51 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 1.11 0.00 0.00 0.98 0.00 0.00 39 P 0.00 4.24 0.00 2.21 2.11 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 40 K 8.03 3.94 0.00 2.00 2.09 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.51 7.81 41 A 8.15 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 42 K 8.32 3.79 0.00 1.71 1.93 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.74 7.81 43 E 7.89 3.99 0.00 2.09 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 2.38 1.91 0.00 44 L 7.66 3.91 0.00 1.91 1.91 0.96 1.07 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 45 R 8.50 3.74 0.00 2.08 1.83 0.00 3.18 0.00 0.00 3.17 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 46 G 8.87 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 0.00 0.00 0.00 47 F 7.87 4.34 0.00 2.83 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.94 3.24 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 0.98 0.00 0.00 1.00 0.00 0.00 49 D 8.15 4.19 0.00 2.99 2.78 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 50 H 8.00 3.95 0.00 3.14 3.39 0.00 5.78 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 51 L 6.88 3.82 0.00 1.68 1.56 0.29 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.71 3.54 1.24 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.49 -0.19 0.00 0.00 53 H 7.98 3.77 0.00 2.95 3.14 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.57 3.89 0.00 1.72 1.67 0.81 0.82 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 55 A 7.90 3.25 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 56 K 7.15 3.75 0.00 1.67 1.76 0.00 1.85 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.32 7.81 57 R 7.56 4.23 0.00 1.95 2.06 0.00 2.99 0.00 0.00 3.35 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 58 G 7.47 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 59 D 8.74 4.66 0.00 2.86 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.62 3.95 0.00 1.82 1.75 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 61 H 8.46 4.09 0.00 3.25 3.48 0.00 5.75 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 62 A 8.03 4.03 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.97 3.81 0.00 1.98 2.05 0.00 3.08 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.98 0.00 64 R 8.05 4.01 0.00 1.96 1.99 0.00 3.24 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 65 L 7.89 4.08 0.00 1.95 1.68 0.76 0.55 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 V 8.10 3.58 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 0.96 0.00 0.00 0.98 0.00 0.00 67 L 8.09 3.93 0.00 1.76 1.70 0.87 0.79 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 68 R 7.76 4.07 0.00 2.05 2.01 0.00 3.22 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 69 D 7.88 4.59 0.00 2.62 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 6.98 4.42 0.00 1.63 1.57 0.88 0.68 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 71 Q 8.31 4.37 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.00 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 72 D 7.92 4.39 0.00 2.76 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 0.00 0.00 0.00 0.00 73 V 8.41 3.50 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.89 0.00 0.00 74 K 8.17 3.83 0.00 2.20 1.83 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.56 7.81 75 L 7.63 3.95 0.00 1.88 1.76 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.05 3.48 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 0.61 0.00 0.00 0.62 0.00 0.00 77 R 8.03 3.78 0.00 2.03 2.00 0.00 3.15 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 78 K 8.14 3.64 0.00 1.83 2.03 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.50 7.81 79 L 7.91 4.02 0.00 2.06 2.00 1.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.64 4.21 0.00 3.02 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 81 D 8.87 4.55 0.00 2.65 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 82 E 7.99 4.38 0.00 2.11 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 0.00 2.25 2.40 0.00 83 I 8.68 3.57 2.04 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 1.70 1.03 1.08 0.00 0.00 84 A 9.18 4.16 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.13 0.00 2.01 2.15 0.00 3.91 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 2.26 2.14 0.00 86 R 7.17 3.83 0.00 1.43 1.47 0.00 3.05 0.00 0.00 3.45 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 87 Y 8.58 4.17 0.00 3.27 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 88 R 9.78 3.97 0.00 1.95 2.03 0.00 3.38 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 89 D 9.76 4.76 0.00 2.70 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 90 R 7.75 4.40 0.00 1.87 1.93 0.00 3.24 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.57 0.00 91 Q 8.36 4.20 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.63 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 92 G 8.07 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 7.76 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.07 4.27 0.00 2.54 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 0.00 0.00 0.00 95 T 7.66 4.94 4.49 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 1.23 0.00 0.00 96 R 8.91 4.71 0.00 1.88 1.75 0.00 3.05 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 97 V 8.41 4.92 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 0.94 0.00 0.00 0.94 0.00 0.00 98 L 9.04 4.95 0.00 1.57 1.51 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.71 4.60 0.00 1.76 1.82 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.42 7.81 100 L 8.29 4.44 0.00 1.55 1.64 0.93 1.22 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 0.00 101 A 8.44 4.31 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.97 3.98 0.00 2.08 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 2.17 2.29 0.00 103 R 8.08 4.54 0.00 1.80 1.91 0.00 3.22 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 104 R 8.20 4.05 0.00 2.07 1.85 0.00 3.20 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 105 R 8.18 4.60 0.00 1.80 1.89 0.00 3.24 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 106 G 7.74 4.16 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 0.00 0.00 0.00 107 D 8.43 4.50 0.00 2.75 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 0.00 108 G 8.10 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 0.00 109 A 8.69 4.34 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 0.00 110 P 0.00 4.69 0.00 2.13 2.20 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 111 L 8.48 5.14 0.00 1.63 1.74 0.93 0.95 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 0.00 112 A 8.85 5.14 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 0.00 113 L 9.31 5.18 0.00 1.80 1.75 0.93 1.12 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 0.00 114 V 9.09 4.85 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 1.04 0.00 0.00 0.95 0.00 0.00 115 E 9.26 5.13 0.00 2.06 1.78 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 2.24 2.28 0.00 116 L 8.25 4.62 0.00 1.70 1.82 1.01 0.93 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 0.00 117 V 7.99 3.27 2.36 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 0.90 0.00 0.00 0.98 0.00 0.00 118 E 8.79 4.79 0.00 2.08 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 2.03 2.07 0.00