NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5178 8.3044 120.3311 55.5304 33.4755 173.6666 2 L 4.4755 7.5132 119.7061 52.2076 44.9050 172.6104 3 M 3.7204 7.9259 120.8621 53.9714 33.4355 172.4908 4 P 4.4692 0.0000 0.0000 63.1874 31.9283 176.3357 5 R 4.2328 8.5206 118.3068 57.4758 30.9858 176.3664 6 R 4.7526 7.1714 113.5933 54.6722 33.7663 174.2474 7 M 4.4803 7.8046 113.9776 54.9972 35.4915 175.8113 8 K 3.9727 8.9242 122.4876 58.5471 33.1223 177.1971 9 Y 4.5414 7.7029 116.0525 55.7777 40.8273 176.2746 10 R 3.9154 8.8996 125.4996 58.2400 30.6187 176.5516 11 K 4.7580 7.4461 113.7628 54.4202 35.3218 175.3055 12 Q 4.6053 8.1765 118.4842 54.3250 31.6246 174.7184 13 Q 4.2054 8.4031 118.1268 55.7994 28.9303 176.1734 14 R 4.0198 8.1399 118.6022 57.3111 30.5067 179.5754 15 G 3.9976 8.2156 105.0922 45.0588 0.0000 171.8835 16 R 4.5415 7.9354 116.9656 54.1150 33.0252 174.1959 17 L 4.3119 8.3040 124.0419 54.0221 42.4853 176.4058 18 K 4.7284 8.2555 123.1481 54.1948 35.5347 176.0336 19 G 3.7538 8.3168 108.7219 46.4965 0.0000 172.7303 20 A 3.7363 8.6234 123.3109 53.2779 17.1642 176.3134 21 T 4.5817 8.5068 105.2946 63.4480 75.6676 173.8551 22 K 4.3371 9.0238 122.0978 55.9404 32.0374 175.5132 23 G 3.8935 7.9849 103.0478 47.0327 0.0000 171.7528 24 G 3.7149 7.9566 104.2624 46.9077 0.0000 173.7956 25 D 5.6330 8.2948 112.8733 52.1853 40.4801 175.3775 26 Y 5.3810 6.9412 116.5760 54.7989 42.4322 176.3105 27 V 3.3573 9.5006 119.7875 63.5677 30.3633 176.2204 28 A 4.1463 9.7563 124.9638 51.7180 18.2302 179.1784 29 F 4.3169 7.7884 109.6345 58.0198 41.7838 180.3114 30 G 3.9244 6.3441 118.4709 45.9446 0.0000 172.4632 31 D 4.8143 9.1779 118.3236 54.7884 43.6986 176.6294 32 Y 4.8035 8.2107 114.3210 56.1140 42.3991 174.9303 33 G 4.6021 9.0574 108.3726 44.6808 0.0000 170.7031 34 L 5.5717 8.9729 121.5244 53.0463 44.8654 175.5963 35 V 5.1383 9.1637 124.9931 59.6226 35.2896 174.5079 36 A 4.4277 8.5187 123.9585 52.2031 18.9919 178.1427 37 L 4.2805 8.7896 122.0935 55.6490 43.2061 177.1553 38 E 4.7181 7.9997 116.2883 53.5438 32.0021 173.9289 39 P 4.5674 0.0000 0.0000 62.8820 32.8895 175.7314 40 A 4.2439 8.1437 119.2776 51.8806 24.4636 174.5889 41 W 4.9874 8.9565 116.7350 55.4523 31.4548 175.4855 42 I 4.4294 8.3459 126.9761 60.0069 38.4711 176.6677 43 T 4.4885 8.4671 116.7078 60.8726 70.1162 175.5064 44 A 3.9947 8.4995 124.1059 55.1445 18.2060 179.8760 45 Q 3.9429 8.1419 115.7677 59.7792 28.2692 178.5960 46 Q 4.1857 7.8817 119.1510 59.2389 29.0617 178.9603 47 I 3.9052 7.8201 119.8763 64.2123 36.9929 177.6118 48 E 3.9129 9.0195 119.7412 59.8826 29.1744 179.2284 49 A 3.9463 8.8606 121.1590 55.8527 18.1882 178.9059 50 A 3.9973 8.5728 119.6479 54.1702 18.5602 179.7685 51 R 3.6138 7.6301 115.1415 60.0231 30.6171 177.8979 52 V 3.6131 8.4618 118.4101 64.3603 31.2136 177.0847 53 A 4.0726 7.7371 121.1293 56.0560 18.3896 178.6879 54 M 3.6410 8.4113 117.0794 58.5366 32.3497 178.2761 55 V 3.3522 8.0879 118.5439 65.2997 31.4350 178.5084 56 R 3.7658 7.8699 118.3448 58.9915 29.9939 177.5503 57 H 4.1112 7.8327 116.8458 58.0951 31.1507 175.4451 58 F 5.0477 7.5499 114.5293 56.3534 37.4295 175.2790 59 R 3.9195 7.6094 114.6068 58.0412 29.8594 176.7464 60 R 3.8694 8.8925 121.0973 57.1401 27.1031 176.6197 61 G 3.5470 7.7674 107.7928 43.7971 0.0000 176.5215 62 G 4.0165 7.6561 105.6908 44.3896 0.0000 172.2200 63 K 4.5891 8.4236 122.4780 54.7371 34.6267 176.1140 64 I 5.0853 8.3230 126.9552 59.6736 39.7418 174.8246 65 F 4.8920 9.5471 125.0911 55.6525 41.6483 174.6528 66 I 4.4404 8.5323 118.6631 60.0253 37.5987 175.8054 67 R 4.2540 8.6462 126.3850 56.4364 30.3086 176.7965 68 I 4.4603 7.3237 112.1386 58.8066 40.2048 175.0084 69 F 4.9051 8.3708 123.4350 55.7584 41.3968 172.5914 70 P 4.2658 0.0000 0.0000 63.3575 31.4860 175.0563 71 D 4.3196 7.7770 118.5726 53.0236 41.5024 175.2011 72 K 4.3631 7.7394 122.5589 54.1935 33.6902 173.7105 73 P 3.6617 0.0000 0.0000 63.2082 32.0801 175.2538 74 Y 4.5526 8.0562 126.6087 56.9083 39.8534 175.1382 75 T 4.6894 8.2206 123.3394 62.3117 70.9232 174.1441 76 K 4.0450 7.5153 119.2879 56.0424 35.7871 174.8898 77 K 4.1808 8.8412 127.2114 55.0993 32.8775 174.8274 78 P 4.3014 0.0000 0.0000 62.6244 31.7737 175.6857 79 L 4.2080 8.1414 120.6098 55.2366 43.3548 175.7491 80 E 3.8432 8.6723 120.5238 56.7310 26.6690 175.0778 81 V 4.4465 6.9684 115.2313 60.1645 34.8301 175.7019 82 R 4.2457 8.2762 121.7055 55.4102 31.0973 175.5259 83 M 4.2489 8.1740 119.2187 56.2779 32.3212 177.6593 84 G 3.7393 8.4776 106.0392 46.0768 0.0000 174.6012 85 K 3.9542 9.6771 119.7899 57.3469 30.1556 176.9170 86 G 3.8633 7.5256 106.6042 44.9663 0.0000 172.4070 87 K 4.4591 8.2687 124.1666 55.7558 33.0301 175.9690 88 G 4.1782 8.2713 105.6837 43.6071 0.0000 171.3361 89 N 4.7430 8.1385 116.4935 52.0136 40.5149 175.0829 90 V 3.8146 8.1379 119.9732 63.5373 32.0273 174.3582 91 E 4.3743 9.0871 124.2347 57.3918 30.9398 176.2096 92 G 4.0329 7.4204 108.6193 45.8683 0.0000 170.2132 93 Y 5.1221 8.6212 118.4907 56.8282 43.2227 174.5795 94 V 4.7783 8.2246 112.2048 60.1069 37.0952 173.7436 95 A 4.8130 8.6380 124.7037 49.9656 21.4652 176.0635 96 V 4.0475 8.4989 123.1199 62.9989 31.8326 175.0078 97 V 4.3954 8.5229 128.5359 61.3464 33.1657 174.8181 98 K 5.0077 8.3481 125.1141 53.4905 36.6518 173.8332 99 P 4.3765 0.0000 0.0000 64.5760 31.7807 177.1067 100 G 3.9760 9.3320 111.3321 45.0083 0.0000 172.6200 101 R 4.5934 7.6180 120.9649 54.8562 30.8131 175.5275 102 V 3.9476 8.6885 126.2574 62.8517 31.2859 175.5959 103 M 4.0070 8.9161 128.2138 57.9359 32.8415 176.5715 104 F 5.7211 8.0820 114.5717 55.1395 44.6018 172.8812 105 E 5.1849 8.6571 113.5433 56.0148 32.0519 175.1161 106 V 5.1840 8.7175 115.9265 60.0077 34.8476 174.7098 107 A 4.7565 8.6774 124.3331 50.9506 22.4409 174.7103 108 G 3.6260 9.5865 110.3547 44.6612 0.0000 172.6312 109 V 4.1594 6.9087 117.4412 60.9366 34.9389 172.9705 110 T 3.9182 8.0420 118.5285 61.6580 68.9741 174.3283 111 E 3.3858 8.7979 128.6261 59.6190 28.0021 178.6262 112 E 3.9182 8.2337 118.3804 59.6910 29.4691 178.8607 113 Q 4.1595 7.8438 116.9621 58.7231 29.1383 177.9763 114 A 3.9714 8.1415 122.1960 55.5390 17.0550 179.2344 115 M 4.2747 8.4306 115.5398 56.6479 31.9348 177.4506 116 E 4.2228 7.3087 117.9564 57.9251 30.9118 177.2879 117 A 3.7164 8.0439 121.0843 55.1384 18.3148 179.5968 118 L 3.8311 7.7199 116.8800 57.9760 41.5073 179.5711 119 R 3.8633 7.0981 117.2673 59.5465 30.1814 178.4097 120 I 3.8841 7.8399 119.2436 64.1715 37.1074 177.7451 121 A 3.8983 7.9265 121.9071 55.5734 17.9408 179.8031 122 G 3.7584 8.2113 103.6560 48.4946 0.0000 175.3112 123 H 4.2173 8.3767 117.7942 58.5238 28.8532 177.0526 124 K 4.1656 8.0865 119.4799 58.6051 32.2538 177.6546 125 L 4.3459 7.1866 118.4733 53.7584 42.0687 175.3236 126 P 4.5184 0.0000 0.0000 63.6530 31.9795 175.6371 127 I 4.6527 7.2673 111.8811 58.7537 40.6987 175.3547 128 K 4.4200 8.3199 122.4344 56.7204 33.0301 176.4234 129 T 5.2240 8.3713 112.7865 59.9718 72.5064 172.5465 130 K 4.7214 9.0760 122.7601 54.7037 36.0714 174.7397 131 I 4.9685 8.3852 125.2933 60.0189 38.6349 175.5784 132 V 4.2646 8.4911 120.8015 61.3275 34.3502 178.0086 133 R 3.8050 8.6640 123.0385 56.7992 28.1946 178.1155 134 R 3.9937 9.1735 121.2592 57.2086 37.1094 175.1657 135 D 3.9225 8.7206 111.0653 56.6878 39.0714 178.1656 136 A 4.4798 9.1629 117.6673 52.0532 18.9796 178.8374 137 Y 4.4874 8.0589 115.1915 59.7796 37.5876 175.2388 138 D 4.4497 7.9403 121.2136 54.0940 41.5139 172.7558 139 E 3.5968 9.0971 129.5625 56.7125 27.4918 174.8187 140 A 4.3095 7.7456 124.6808 51.4072 20.3848 175.9772 141 Q 4.2653 7.8387 121.7604 55.3035 29.0263 176.1969 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 M 8.30 4.52 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 2 L 7.51 4.48 0.00 1.69 1.55 1.06 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 3 M 7.93 3.72 0.00 1.89 1.08 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 4 P 0.00 4.47 0.00 2.31 1.98 0.00 2.48 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.65 0.00 5 R 8.52 4.23 0.00 1.82 2.01 0.00 3.14 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 6 R 7.17 4.75 0.00 1.75 1.82 0.00 3.23 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 7 M 7.80 4.48 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 8 K 8.92 3.97 0.00 1.96 1.61 0.00 1.76 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.52 7.81 9 Y 7.70 4.54 0.00 3.07 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 10 R 8.90 3.92 0.00 1.78 1.98 0.00 3.19 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 11 K 7.45 4.76 0.00 1.83 1.65 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.35 7.81 12 Q 8.18 4.61 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.02 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 13 Q 8.40 4.21 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.09 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 14 R 8.14 4.02 0.00 1.87 2.05 0.00 3.36 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 1.84 1.95 0.00 15 G 8.22 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 16 R 7.94 4.54 0.00 1.68 1.73 0.00 3.19 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 17 L 8.30 4.31 0.00 1.59 1.55 0.79 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.26 4.73 0.00 1.71 1.73 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.33 7.81 19 G 8.32 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 0.00 0.00 0.00 20 A 8.62 3.74 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 21 T 8.51 4.58 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 1.29 0.00 0.00 22 K 9.02 4.34 0.00 1.88 2.09 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.50 7.81 23 G 7.98 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 24 G 7.96 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 25 D 8.29 5.63 0.00 2.90 2.83 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 26 Y 6.94 5.38 0.00 3.30 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 27 V 9.50 3.36 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 0.71 0.00 0.00 0.08 0.00 0.00 28 A 9.76 4.15 1.69 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 0.00 0.00 29 F 7.79 4.32 0.00 2.59 1.71 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 30 G 6.34 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 31 D 9.18 4.81 0.00 2.92 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 32 Y 8.21 4.80 0.00 2.89 2.83 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 33 G 9.06 4.60 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 34 L 8.97 5.57 0.00 1.85 1.72 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 35 V 9.16 5.14 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 0.86 0.00 0.00 0.99 0.00 0.00 36 A 8.52 4.43 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 37 L 8.79 4.28 0.00 1.65 1.73 0.93 0.76 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 38 E 8.00 4.72 0.00 1.92 1.82 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 2.21 2.26 0.00 39 P 0.00 4.57 0.00 2.14 2.03 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 40 A 8.14 4.24 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 41 W 8.96 4.99 0.00 3.12 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 42 I 8.35 4.43 1.87 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 1.32 0.69 0.94 0.00 0.00 43 T 8.47 4.49 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 1.15 0.00 0.00 44 A 8.50 3.99 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 45 Q 8.14 3.94 0.00 2.29 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 46 Q 7.88 4.19 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.97 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 47 I 7.82 3.91 2.12 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 1.46 1.07 1.07 0.00 0.00 48 E 9.02 3.91 0.00 2.07 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 0.00 2.34 2.43 0.00 49 A 8.86 3.95 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 50 A 8.57 4.00 1.20 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 0.00 0.00 0.00 0.00 0.00 51 R 7.63 3.61 0.00 2.01 2.12 0.00 3.23 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 52 V 8.46 3.61 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 0.92 0.00 0.00 0.94 0.00 0.00 53 A 7.74 4.07 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 54 M 8.41 3.64 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 55 V 8.09 3.35 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 0.76 0.00 0.00 1.03 0.00 0.00 56 R 7.87 3.77 0.00 1.72 1.99 0.00 3.33 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 57 H 7.83 4.11 0.00 3.03 3.24 0.00 5.69 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 58 F 7.55 5.05 0.00 3.07 3.27 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 59 R 7.61 3.92 0.00 1.98 2.03 0.00 3.14 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 1.63 1.74 0.00 60 R 8.89 3.87 0.00 2.01 2.12 0.00 3.20 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 61 G 7.77 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.66 4.02 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 0.00 0.00 0.00 63 K 8.42 4.59 0.00 1.79 1.60 0.00 1.39 0.00 0.00 0.70 0.00 0.00 2.56 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.84 1.18 7.81 64 I 8.32 5.09 1.96 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 1.66 0.99 1.05 0.00 0.00 65 F 9.55 4.89 0.00 2.76 2.83 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 66 I 8.53 4.44 1.88 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 1.39 0.56 1.23 0.00 0.00 67 R 8.65 4.25 0.00 1.67 1.98 0.00 3.06 0.00 0.00 3.07 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.19 0.00 68 I 7.32 4.46 1.78 0.00 0.00 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 0.95 0.56 0.76 0.00 0.00 69 F 8.37 4.91 0.00 2.76 2.93 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 70 P 0.00 4.27 0.00 2.03 1.90 0.00 3.92 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.86 0.00 71 D 7.78 4.32 0.00 2.52 2.28 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 72 K 7.74 4.36 0.00 1.67 1.42 0.00 1.53 0.00 0.00 0.93 0.00 0.00 3.39 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.05 1.26 7.81 73 P 0.00 3.66 0.00 1.87 1.90 0.00 3.69 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 2.08 2.25 0.00 74 Y 8.06 4.55 0.00 2.71 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 75 T 8.22 4.69 4.20 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 0.00 0.00 1.17 0.00 0.00 76 K 7.52 4.04 0.00 1.28 1.34 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.25 1.20 7.81 77 K 8.84 4.18 0.00 1.76 1.69 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.43 7.81 78 P 0.00 4.30 0.00 2.01 2.01 0.00 3.64 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 79 L 8.14 4.21 0.00 1.59 1.54 0.92 0.95 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 80 E 8.67 3.84 0.00 2.10 1.93 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 2.22 2.27 0.00 81 V 6.97 4.45 2.07 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 0.71 0.00 0.00 0.92 0.00 0.00 82 R 8.28 4.25 0.00 1.82 1.93 0.00 3.21 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 83 M 8.17 4.25 0.00 2.00 2.03 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 2.60 2.48 0.00 84 G 8.48 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 85 K 9.68 3.95 0.00 1.91 1.90 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.35 7.81 86 G 7.53 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 0.00 0.00 0.00 87 K 8.27 4.46 0.00 1.72 1.66 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.42 7.81 88 G 8.27 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 89 N 8.14 4.74 0.00 2.68 2.71 0.00 0.00 6.45 7.68 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 90 V 8.14 3.81 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 0.44 0.00 0.00 0.85 0.00 0.00 91 E 9.09 4.37 0.00 1.58 1.83 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 2.02 1.96 0.00 92 G 7.42 4.03 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 93 Y 8.62 5.12 0.00 2.82 2.67 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 0.00 0.00 0.00 94 V 8.22 4.78 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 0.24 0.00 0.00 -0.12 0.00 0.00 95 A 8.64 4.81 1.17 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 0.00 0.00 96 V 8.50 4.05 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 0.93 0.00 0.00 1.15 0.00 0.00 97 V 8.52 4.40 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 0.93 0.00 0.00 0.90 0.00 0.00 98 K 8.35 5.01 0.00 1.74 1.75 0.00 1.75 0.00 0.00 2.16 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.45 7.81 99 P 0.00 4.38 0.00 2.04 2.20 0.00 3.64 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 2.03 2.08 0.00 100 G 9.33 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 0.00 0.00 0.00 101 R 7.62 4.59 0.00 1.92 1.93 0.00 3.13 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 102 V 8.69 3.95 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 0.86 0.00 0.00 0.99 0.00 0.00 103 M 8.92 4.01 0.00 1.56 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.43 0.00 104 F 8.08 5.72 0.00 2.92 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 0.00 105 E 8.66 5.18 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 2.09 1.91 0.00 106 V 8.72 5.18 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 1.04 0.00 0.00 1.09 0.00 0.00 107 A 8.68 4.76 1.51 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 0.00 108 G 9.59 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 0.00 109 V 6.91 4.16 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 0.59 0.00 0.00 0.49 0.00 0.00 110 T 8.04 3.92 4.20 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 0.00 0.00 1.26 0.00 0.00 111 E 8.80 3.39 0.00 2.10 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 2.39 2.50 0.00 112 E 8.23 3.92 0.00 2.06 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 2.39 2.43 0.00 113 Q 7.84 4.16 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 114 A 8.14 3.97 0.74 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 0.00 115 M 8.43 4.27 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.70 0.00 116 E 7.31 4.22 0.00 2.22 1.90 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 2.27 2.27 0.00 117 A 8.04 3.72 1.11 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 0.00 118 L 7.72 3.83 0.00 1.82 1.74 1.03 0.59 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 0.00 119 R 7.10 3.86 0.00 2.10 2.10 0.00 3.28 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 120 I 7.84 3.88 1.87 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 1.69 0.56 0.87 0.00 0.00 121 A 7.93 3.90 1.14 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 0.00 122 G 8.21 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 0.00 123 H 8.38 4.22 0.00 3.33 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.09 4.17 0.00 1.81 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.52 7.81 125 L 7.19 4.35 0.00 1.95 1.65 1.12 1.15 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 0.00 126 P 0.00 4.52 0.00 2.19 2.19 0.00 3.76 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 2.01 1.98 0.00 127 I 7.27 4.65 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.76 0.93 0.00 0.00 128 K 8.32 4.42 0.00 1.88 1.77 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.39 7.81 129 T 8.37 5.22 4.30 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 1.29 0.00 0.00 130 K 9.08 4.72 0.00 1.83 1.68 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.41 7.81 131 I 8.39 4.97 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.79 1.07 0.00 0.00 132 V 8.49 4.26 2.21 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 0.85 0.00 0.00 0.91 0.00 0.00 133 R 8.66 3.80 0.00 1.71 1.36 0.00 3.19 0.00 0.00 3.07 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.54 0.00 134 R 9.17 3.99 0.00 1.49 1.77 0.00 3.31 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.38 0.00 135 D 8.72 3.92 0.00 2.89 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 0.00 136 A 9.16 4.48 1.17 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 0.00 0.00 137 Y 8.06 4.49 0.00 3.04 3.24 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 0.00 138 D 7.94 4.45 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.10 3.60 0.00 2.06 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 2.17 2.19 0.00 140 A 7.75 4.31 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 7.84 4.27 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00