NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.8188 8.4449 116.3427 55.6211 29.6522 172.2059 2 K 4.1875 8.9060 123.7425 57.6921 33.3304 177.7886 3 C 4.7542 8.0170 114.8069 56.4913 41.7809 172.9841 4 D 4.8660 7.7292 118.7799 53.1106 42.6117 176.7171 5 I 3.8489 8.2127 117.3362 63.5953 37.5216 178.1148 6 T 3.9376 8.2773 118.3353 66.7237 68.0929 176.1883 7 L 3.9855 8.1486 121.1567 57.9607 41.6940 179.3573 8 Q 3.9528 8.1583 118.8421 59.0757 28.8761 177.9129 9 E 4.0361 8.0629 119.5728 59.2545 29.3904 179.2915 10 I 3.7304 7.7883 119.9974 64.3543 37.0939 178.5563 11 I 3.6388 8.0464 121.3043 64.0160 36.7241 178.6294 12 K 3.8939 8.4358 120.3181 60.1722 32.5059 179.5368 13 T 3.6238 7.6650 116.8210 66.0039 68.3263 176.8743 14 L 3.9036 8.0528 121.2493 57.7113 41.4191 179.0518 15 N 4.2062 7.9091 115.2642 56.5504 38.8339 177.2649 16 S 4.1297 7.5096 116.0276 61.6061 62.5532 176.7869 17 L 4.0075 7.6889 121.8130 57.8801 41.1946 179.0640 18 T 4.0523 7.8339 106.5525 62.8112 68.9039 174.7396 19 E 4.2925 7.7670 121.0115 58.0764 30.8403 176.4403 20 Q 3.9756 7.4161 119.9361 56.1982 29.1425 175.3050 21 K 4.5888 8.6125 125.1052 54.9985 34.1105 175.6376 22 T 4.8281 7.9928 119.0826 61.2926 72.7269 174.7493 23 L 4.0077 8.6852 122.2192 57.9735 41.7865 179.2485 24 C 4.6383 8.1635 116.7491 57.4664 38.5165 174.4921 25 T 4.0042 8.1042 108.9469 63.3783 68.4431 175.2943 26 E 4.4953 7.9389 120.5990 56.7263 30.6380 176.0377 27 L 4.5535 7.8605 120.1170 54.7154 43.2246 175.7811 28 T 5.1285 8.4967 110.7894 60.3450 70.9980 174.0624 29 V 4.4351 8.6089 117.2429 59.4663 35.3931 175.2177 30 T 4.2377 8.1537 118.7771 63.5301 68.7124 173.9756 31 D 4.9209 8.6442 129.2294 54.5988 39.7310 176.8461 32 I 3.9203 8.1204 112.0676 61.4421 38.0202 177.2453 33 F 4.9446 7.8774 118.7983 57.8422 38.9212 175.7134 34 A 4.5653 8.0387 122.5964 51.8990 18.7583 177.7436 35 A 4.5037 7.7619 120.4031 52.7288 19.7236 178.1585 36 S 4.6611 8.3899 114.7066 59.3117 65.6219 176.2387 37 K 3.9584 8.0578 118.4412 57.8781 32.5851 177.6411 38 N 4.6671 8.2571 113.6496 52.8231 37.9213 173.0990 39 T 4.4057 8.1411 106.2397 61.1742 69.6589 174.4750 40 T 3.9531 8.1487 111.6712 59.7125 71.1117 172.3105 41 E 3.7162 8.2835 126.0660 59.3685 29.3615 179.3087 42 K 3.7590 7.7112 117.4433 59.3918 32.0962 178.5187 43 E 3.8870 8.0475 118.7603 59.7479 29.5223 178.4395 44 T 3.8926 8.7092 116.6632 67.1051 68.5017 176.4147 45 F 4.4823 8.0918 119.2238 60.7940 38.8965 176.9815 46 C 3.8084 8.3617 118.1342 59.4341 44.2603 176.0169 47 R 3.7927 8.2820 119.8078 59.2315 29.8989 178.8696 48 A 4.1000 8.3115 120.6191 54.9585 18.2005 179.5996 49 A 3.7384 7.9261 119.7600 55.3030 18.2318 179.9796 50 T 3.9082 7.7564 114.6302 66.9825 68.5616 177.3827 51 V 3.8295 7.6719 115.5657 63.7301 31.5706 178.6872 52 L 3.9585 7.7081 118.3702 57.8022 41.6195 179.5871 53 R 2.8357 8.2459 118.9636 59.1295 29.5466 178.5055 54 Q 3.7970 7.9891 117.8945 59.2349 28.6193 178.0974 55 F 4.0425 8.2153 122.2522 60.8887 39.4237 176.4535 56 Y 4.4233 8.5268 117.2294 60.6368 37.5236 178.6994 57 S 4.3629 7.5362 113.2548 60.6571 62.5816 174.7793 58 H 4.6458 7.9243 116.7159 56.1959 28.9553 175.1552 59 H 4.8387 7.5754 116.0144 55.1727 30.4254 174.0854 60 E 4.2239 8.5975 122.4831 58.7459 29.5579 178.1246 61 K 4.6548 7.7499 116.3682 55.8579 33.1997 175.3600 62 D 4.5153 8.1049 119.2173 53.9230 40.9036 176.8162 63 T 3.9375 8.6882 123.5713 66.8941 68.6426 176.4018 64 R 4.0549 8.2274 118.9030 58.1088 30.1713 176.5115 65 C 4.8903 8.3435 114.6084 57.0073 41.7828 176.0294 66 L 3.7079 7.2668 120.4446 55.6971 41.4258 176.9324 67 G 4.1121 7.5539 106.8057 45.6947 0.0000 173.1781 68 A 4.0102 8.4376 126.5085 54.9905 19.2086 179.4706 69 T 4.2687 7.5278 104.1787 60.9312 71.4564 175.2120 70 A 4.1668 8.4209 121.9445 55.2848 17.8530 179.4978 71 Q 3.9874 8.1076 117.7318 59.2719 29.2015 178.3970 72 Q 4.0822 8.0795 118.8470 58.8648 28.8024 178.2781 73 F 4.7534 8.1522 122.5731 61.0876 39.4531 176.4343 74 H 3.8388 8.4475 117.8695 59.4135 29.5395 177.2887 75 R 3.9299 7.7153 118.6212 59.5928 29.8306 178.5461 76 H 4.2219 8.2341 117.8367 59.3319 29.8101 177.5486 77 K 3.7896 7.8516 120.3166 59.1823 31.7518 179.2148 78 Q 3.6519 7.9193 120.1075 58.6783 28.8919 177.9341 79 L 4.0058 8.0614 121.6377 58.3937 42.2924 179.0790 80 I 3.7047 7.9262 120.0645 64.3670 36.8801 178.5106 81 R 3.7029 8.1203 119.9056 59.2678 29.7676 178.4760 82 F 4.6101 8.0939 117.4724 60.1237 39.1066 177.9467 83 L 4.1227 8.2639 118.9596 57.6765 41.3227 179.6537 84 K 3.9002 7.9076 118.5242 59.2101 31.9824 179.6961 85 R 3.9590 7.7877 118.3718 59.0955 29.9575 178.7372 86 L 3.9574 8.3385 120.5332 58.1957 42.0838 178.5170 87 D 4.3133 8.1853 117.8000 57.4266 40.7383 178.1595 88 R 4.1189 8.3606 119.3071 59.7056 30.1722 178.2838 89 N 4.5090 8.2458 116.1409 56.1819 38.7043 177.4325 90 L 3.9849 8.2400 120.4823 56.9062 41.5763 179.6198 91 W 4.4428 8.3451 119.4581 59.9481 28.9215 178.9247 92 G 3.7398 7.8418 103.0340 47.6120 0.0000 175.1639 93 L 4.0838 7.8175 121.3676 57.8605 42.0419 178.6324 94 A 4.3236 8.2971 120.6458 53.9099 18.2430 179.2877 95 G 4.0322 8.4633 102.8049 45.9463 0.0000 172.9208 96 L 4.8806 7.3756 118.4444 53.4907 44.2284 176.7451 97 N 5.2356 8.6217 112.3123 54.1195 41.2831 174.3334 98 S 4.7861 8.1992 113.8363 56.6157 64.5773 174.4264 99 C 4.7850 8.6964 122.7673 55.2226 43.3881 172.9612 100 P 4.6033 0.0000 0.0000 61.2529 29.7122 176.2543 101 V 3.9094 7.5002 125.1969 63.5798 29.4177 175.1624 102 K 4.4084 7.9309 118.6547 56.1735 33.2548 177.6384 103 E 4.1954 7.9206 118.9430 56.5075 30.3267 176.0826 104 A 4.4002 8.4874 125.1944 53.9804 20.6114 177.5230 105 N 4.4917 7.9878 114.4772 54.2012 40.0292 173.9043 106 Q 5.1079 8.6261 123.7231 54.6326 31.5019 175.0320 107 S 4.9585 9.0532 117.3832 56.5220 67.3824 174.1414 108 T 4.3221 8.5689 113.3941 61.4975 69.4367 174.7047 109 L 3.7434 9.0138 126.3790 58.4112 41.9864 179.1059 110 E 3.9011 7.9670 118.5223 59.6528 29.3727 178.6502 111 N 4.9036 7.9666 116.9159 54.7703 38.6133 177.3700 112 F 4.2938 8.1159 122.8456 61.3186 39.5508 177.3075 113 L 4.0479 8.5484 119.1113 57.6302 41.2264 179.1124 114 E 3.8571 8.0871 119.1017 59.1699 29.5350 178.8729 115 R 3.6681 7.6198 118.6106 58.9015 30.0237 178.2238 116 L 3.7026 7.7168 120.3249 57.7854 42.1231 178.7123 117 K 3.7822 8.0516 119.6943 59.8119 32.0482 178.9430 118 T 3.7650 7.5725 115.2998 66.7574 68.4375 176.8408 119 I 3.6506 7.4534 121.6733 64.6710 36.9840 178.4878 120 M 4.1174 8.1854 119.6483 58.3758 31.7103 179.0320 121 R 3.9742 7.9808 118.0971 58.7136 30.1565 178.7670 122 E 3.9114 8.1534 119.5626 59.1477 29.4636 178.7944 123 K 3.9484 7.7474 117.0922 59.7323 32.4696 178.2051 124 Y 4.0375 8.2163 119.6611 60.9172 38.7602 178.2747 125 S 4.1933 8.5328 114.1900 61.2533 62.3082 175.9946 126 K 4.1671 8.0843 119.7520 58.4244 31.8789 177.5202 127 C 4.6387 7.6501 115.5327 56.8460 40.4811 173.3911 128 S 4.3765 7.7194 113.6998 59.8466 64.5925 174.2976 129 S 4.2760 7.9895 120.9049 57.9497 62.5638 174.1707 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 H 8.44 4.82 0.00 3.42 3.42 0.00 5.48 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.91 4.19 0.00 1.86 1.91 0.00 1.98 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.47 7.81 3 C 8.02 4.75 0.00 2.93 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 4 D 7.73 4.87 0.00 2.80 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 5 I 8.21 3.85 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.33 0.94 0.00 0.00 6 T 8.28 3.94 4.33 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 1.26 0.00 0.00 7 L 8.15 3.99 0.00 2.00 1.87 1.03 1.26 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 8 Q 8.16 3.95 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 9 E 8.06 4.04 0.00 2.28 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 2.49 2.51 0.00 10 I 7.79 3.73 1.92 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 1.44 0.74 0.78 0.00 0.00 11 I 8.05 3.64 1.96 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.67 0.73 0.00 0.00 12 K 8.44 3.89 0.00 1.86 2.06 0.00 1.26 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.59 7.81 13 T 7.67 3.62 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 14 L 8.05 3.90 0.00 1.93 1.62 0.87 0.87 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 15 N 7.91 4.21 0.00 2.75 2.79 0.00 0.00 7.12 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 16 S 7.51 4.13 0.00 3.20 3.53 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 17 L 7.69 4.01 0.00 1.94 1.69 0.97 0.61 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 18 T 7.83 4.05 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 1.22 0.00 0.00 19 E 7.77 4.29 0.00 2.10 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 2.24 2.18 0.00 20 Q 7.42 3.98 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.62 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 21 K 8.61 4.59 0.00 1.78 1.73 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.38 7.81 22 T 7.99 4.83 4.33 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 1.29 0.00 0.00 23 L 8.69 4.01 0.00 1.67 1.80 1.01 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 24 C 8.16 4.64 0.00 3.10 3.28 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 25 T 8.10 4.00 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 1.25 0.00 0.00 26 E 7.94 4.50 0.00 2.01 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 2.27 2.28 0.00 27 L 7.86 4.55 0.00 2.02 1.65 0.70 0.55 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 28 T 8.50 5.13 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 1.26 0.00 0.00 29 V 8.61 4.44 1.55 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 0.40 0.00 0.00 0.03 0.00 0.00 30 T 8.15 4.24 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 1.23 0.00 0.00 31 D 8.64 4.92 0.00 2.92 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 32 I 8.12 3.92 1.71 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.34 0.89 0.00 0.00 33 F 7.88 4.94 0.00 3.25 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 34 A 8.04 4.57 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.76 4.50 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 36 S 8.39 4.66 0.00 3.83 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 37 K 8.06 3.96 0.00 1.86 1.95 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.47 7.81 38 N 8.26 4.67 0.00 2.92 2.96 0.00 0.00 6.66 7.54 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 39 T 8.14 4.41 4.38 0.00 0.00 0.00 0.00 0.00 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 40 T 8.15 3.95 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 41 E 8.28 3.72 0.00 1.82 1.70 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 1.87 1.47 0.00 42 K 7.71 3.76 0.00 1.77 1.83 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.66 1.43 7.81 43 E 8.05 3.89 0.00 2.03 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 2.38 2.42 0.00 44 T 8.71 3.89 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 1.44 0.00 0.00 45 F 8.09 4.48 0.00 3.08 3.11 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 46 C 8.36 3.81 0.00 3.11 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.28 3.79 0.00 2.11 1.89 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 48 A 8.31 4.10 1.37 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 0.00 0.00 0.00 49 A 7.93 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.76 3.91 4.38 0.00 0.00 0.00 0.00 0.00 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 51 V 7.67 3.83 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 0.86 0.00 0.00 0.93 0.00 0.00 52 L 7.71 3.96 0.00 2.08 1.81 0.96 0.79 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 53 R 8.25 2.84 0.00 2.40 1.98 0.00 3.49 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 54 Q 7.99 3.80 0.00 2.23 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 55 F 8.22 4.04 0.00 3.12 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 56 Y 8.53 4.42 0.00 3.30 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.54 4.36 0.00 3.94 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 58 H 7.92 4.65 0.00 3.04 2.95 0.00 5.85 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 7.58 4.84 0.00 2.93 3.17 0.00 5.66 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.60 4.22 0.00 2.22 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 0.00 2.35 2.39 0.00 61 K 7.75 4.65 0.00 1.76 1.78 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.35 7.81 62 D 8.10 4.52 0.00 2.68 2.58 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 63 T 8.69 3.94 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 1.19 0.00 0.00 64 R 8.23 4.05 0.00 1.93 2.00 0.00 3.11 0.00 0.00 3.45 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 65 C 8.34 4.89 0.00 2.85 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 66 L 7.27 3.71 0.00 1.84 1.65 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.55 4.11 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 0.00 68 A 8.44 4.01 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 69 T 7.53 4.27 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 1.23 0.00 0.00 70 A 8.42 4.17 1.40 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 0.00 0.00 0.00 71 Q 8.11 3.99 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 72 Q 8.08 4.08 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 73 F 8.15 4.75 0.00 3.06 3.26 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 74 H 8.45 3.84 0.00 3.22 3.45 0.00 5.65 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 75 R 7.72 3.93 0.00 2.21 2.03 0.00 3.31 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 76 H 8.23 4.22 0.00 3.34 3.56 0.00 5.60 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 77 K 7.85 3.79 0.00 1.62 1.55 0.00 1.36 0.00 0.00 0.83 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.08 0.76 7.81 78 Q 7.92 3.65 0.00 2.10 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.69 2.26 0.00 79 L 8.06 4.01 0.00 1.94 1.84 1.12 1.42 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 80 I 7.93 3.70 1.73 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 1.44 0.90 0.83 0.00 0.00 81 R 8.12 3.70 0.00 1.62 1.79 0.00 2.24 0.00 0.00 2.77 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.39 0.00 82 F 8.09 4.61 0.00 3.25 2.92 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 83 L 8.26 4.12 0.00 2.13 1.96 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.91 3.90 0.00 1.80 1.70 0.00 1.38 0.00 0.00 1.43 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.75 0.50 7.81 85 R 7.79 3.96 0.00 2.14 2.09 0.00 3.34 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 86 L 8.34 3.96 0.00 1.95 1.72 0.94 1.17 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 87 D 8.19 4.31 0.00 3.40 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 88 R 8.36 4.12 0.00 2.09 2.16 0.00 3.19 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 89 N 8.25 4.51 0.00 2.95 2.84 0.00 0.00 7.05 6.65 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 90 L 8.24 3.98 0.00 1.59 1.47 0.80 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 91 W 8.35 4.44 0.00 3.49 3.17 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 92 G 7.84 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 93 L 7.82 4.08 0.00 1.89 1.89 0.93 0.77 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 A 8.30 4.32 1.63 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 95 G 8.46 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 96 L 7.38 4.88 0.00 1.78 1.76 0.95 0.95 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 97 N 8.62 5.24 0.00 2.66 2.69 0.00 0.00 6.74 7.57 0.00 0.00 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 S 8.20 4.79 0.00 3.99 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 99 C 8.70 4.78 0.00 3.05 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 0.00 100 P 0.00 4.60 0.00 2.17 2.09 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 101 V 7.50 3.91 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 0.80 0.00 0.00 0.91 0.00 0.00 102 K 7.93 4.41 0.00 1.90 1.89 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.45 7.81 103 E 7.92 4.20 0.00 1.98 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 2.31 2.38 0.00 104 A 8.49 4.40 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 0.00 105 N 7.99 4.49 0.00 2.89 2.73 0.00 0.00 7.06 6.68 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 0.00 106 Q 8.63 5.11 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.49 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 107 S 9.05 4.96 0.00 3.84 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 0.00 108 T 8.57 4.32 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 0.00 109 L 9.01 3.74 0.00 1.25 1.51 0.07 0.43 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 0.00 110 E 7.97 3.90 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 2.32 2.37 0.00 111 N 7.97 4.90 0.00 2.79 2.90 0.00 0.00 6.22 8.14 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 0.00 112 F 8.12 4.29 0.00 3.30 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 0.00 113 L 8.55 4.05 0.00 1.84 1.70 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.09 3.86 0.00 2.03 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 2.23 2.27 0.00 115 R 7.62 3.67 0.00 1.81 1.78 0.00 2.97 0.00 0.00 2.96 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.93 0.00 116 L 7.72 3.70 0.00 1.79 1.62 0.92 0.32 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 0.00 117 K 8.05 3.78 0.00 2.01 1.90 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.40 7.81 118 T 7.57 3.76 4.22 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 1.11 0.00 0.00 119 I 7.45 3.65 1.76 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.60 0.98 0.00 0.00 120 M 8.19 4.12 0.00 1.97 2.21 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.75 0.00 121 R 7.98 3.97 0.00 2.03 1.95 0.00 3.17 0.00 0.00 3.07 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 122 E 8.15 3.91 0.00 2.08 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 0.00 2.30 2.40 0.00 123 K 7.75 3.95 0.00 2.08 1.95 0.00 1.84 0.00 0.00 1.96 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.83 7.81 124 Y 8.22 4.04 0.00 3.13 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 0.00 125 S 8.53 4.19 0.00 4.13 3.87 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 0.00 126 K 8.08 4.17 0.00 2.03 1.84 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.15 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.59 7.81 127 C 7.65 4.64 0.00 2.90 2.92 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 0.00 128 S 7.72 4.38 0.00 3.87 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 0.00 129 S 7.99 4.28 0.00 4.02 3.82 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