NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2802 8.3031 122.0261 56.1640 33.0569 175.3253 3 G 3.6875 8.8199 116.0485 44.4294 0.0000 170.9300 4 D 4.4143 8.7771 119.9255 54.4425 42.3527 175.6170 5 K 3.8904 8.9144 126.2069 59.7577 32.2887 179.0924 6 K 4.0131 8.4728 118.6441 58.9260 31.8712 179.6411 7 V 3.5808 7.8111 118.4470 65.9904 31.5115 178.0040 8 I 3.7021 7.6889 119.5405 64.3555 36.9858 178.2395 9 Q 3.9160 7.9915 120.0919 59.3681 28.7591 177.9685 10 H 4.1808 8.1684 117.3914 58.7411 28.6592 177.7311 11 L 3.9974 8.2717 121.1262 58.0192 41.4693 179.4275 12 N 4.3700 8.7974 116.5586 55.8513 38.4068 177.3061 13 K 4.0063 7.8310 120.8380 59.0923 32.2457 178.9513 14 I 3.7291 8.0711 120.5722 64.0721 36.9756 177.9494 15 L 4.0251 8.3407 121.7513 58.3140 42.0461 179.2212 16 G 3.6726 8.2321 105.5222 47.9870 0.0000 175.3015 17 N 4.3724 7.9785 118.1358 56.1735 38.5669 177.2395 18 E 3.9789 8.3493 120.1540 59.5545 29.4184 179.5330 19 L 4.0964 8.0281 118.9931 57.6660 41.6044 179.6225 20 I 3.6412 7.6577 119.2848 64.1932 36.9563 178.3602 21 A 3.3370 7.7943 121.6597 54.7331 18.1558 179.4092 22 I 3.5660 7.9391 118.7587 65.0043 37.2811 178.4333 23 N 4.3975 7.8209 116.9208 56.0543 38.3395 177.4735 24 Q 3.8433 8.0251 121.0484 59.5859 29.2150 178.0425 25 Y 4.8360 7.9273 119.4496 60.3858 37.8529 178.1566 26 F 3.9526 8.4669 121.9362 61.0708 39.4642 176.9526 27 L 4.0088 8.1976 120.0036 58.5989 41.8789 178.7111 28 H 3.9301 8.2154 116.1914 58.5977 28.4951 177.4976 29 S 4.3464 8.5586 115.4914 61.9134 62.2100 176.7311 30 R 3.8714 7.7845 120.3425 59.0973 29.7439 179.0329 31 M 3.4678 7.9608 118.8818 57.9503 31.8042 178.7843 32 W 4.5121 7.8953 119.0659 59.8362 29.1308 178.2661 33 N 4.3535 8.5953 116.8559 56.5499 37.8127 176.8645 34 D 4.3023 8.1754 118.2418 56.9170 41.3056 177.5480 35 W 4.8989 7.9355 116.8584 56.7021 29.3722 177.0966 36 G 3.9878 8.3609 107.6679 46.3782 0.0000 175.6262 37 L 4.6114 8.0271 122.0095 53.4341 38.7470 177.2009 38 K 4.1325 8.5727 121.6397 58.7357 32.5889 178.8424 39 R 3.9558 8.0185 119.4122 58.9496 29.8917 178.4159 40 L 3.8817 7.7348 118.7653 57.2604 41.4920 179.2355 41 G 3.8024 8.1885 105.5557 48.0223 0.0000 175.6146 42 A 4.0175 8.2095 123.7126 54.9614 18.4659 179.2642 43 H 4.0092 8.1499 116.4669 59.2912 29.7951 177.1763 44 E 3.9951 8.6277 121.5813 59.3111 29.4887 178.0937 45 Y 4.0309 8.3216 119.8898 61.1014 38.8033 177.9253 46 H 4.0186 8.2028 116.9892 58.4795 28.7224 177.7280 47 E 3.8049 8.0029 120.4304 59.3248 29.2439 178.9556 48 S 4.2211 8.2849 113.3078 61.7454 62.4088 176.2171 49 I 3.5660 7.5394 122.0978 64.5472 36.7672 177.8555 50 D 4.3416 8.1104 119.5235 57.7179 40.6026 179.0809 51 E 4.0050 8.1719 118.7013 59.5429 29.4592 179.0750 52 M 3.9952 8.1967 118.9136 58.6287 32.0331 179.0363 53 K 4.0685 8.1258 118.3295 59.3398 32.2195 178.9821 54 H 4.1918 8.3884 116.6664 59.0218 28.6599 177.4612 55 A 3.9929 8.2779 122.5099 55.1535 18.2114 179.0985 56 D 4.2559 7.9566 116.4225 57.6322 41.3350 178.7191 57 K 4.0129 8.0793 118.8831 59.3721 31.8870 179.4514 58 L 4.0258 8.0126 119.4162 57.6783 41.5659 179.3732 59 I 3.7062 8.1739 120.2032 64.5807 37.0835 178.3283 60 E 3.9997 8.3098 119.2705 59.3269 29.2839 179.4706 61 R 3.9950 8.0580 118.7370 59.5192 30.1262 178.4371 62 I 3.7333 8.0784 119.9514 64.6193 37.1271 178.4398 63 L 4.0127 8.0116 119.6565 57.6603 41.2136 179.3111 64 F 4.3145 8.1273 119.7665 61.2578 39.7140 176.5979 65 L 3.7977 7.9684 116.1549 54.6541 41.0515 177.1758 66 E 3.8238 7.7585 118.9067 57.0306 28.3210 174.1842 67 G 3.9299 8.0950 107.0179 43.5776 0.0000 173.4327 68 L 4.5789 8.0150 118.9674 52.0201 42.6499 175.1204 69 P 4.3890 0.0000 0.0000 62.3673 31.8276 176.0438 70 N 4.6745 9.1219 122.3994 52.4709 38.3429 174.1064 71 L 4.6013 8.2640 123.9132 54.4650 42.5415 177.4603 72 Q 4.0547 8.1215 120.8070 57.6557 29.4587 175.1429 73 D 4.6046 8.0753 118.2083 52.7467 40.9130 175.4935 74 L 4.5842 8.3186 126.7907 52.8757 43.9078 176.6868 75 G 3.8366 8.3395 117.3499 44.8603 0.0000 171.2359 76 K 4.2422 8.4035 121.9351 54.9141 32.6483 177.6239 77 L 4.0231 8.4335 126.9373 55.0054 42.0313 177.4756 78 L 4.4385 8.8562 124.5880 53.3864 40.6170 174.8151 79 I 4.2181 7.9851 123.4291 59.8459 38.1264 176.6500 80 G 4.0367 8.6739 114.8699 44.6126 0.0000 172.7058 81 E 4.7766 8.7251 114.0039 54.9010 30.8482 175.0989 82 N 5.0528 7.6966 117.2445 50.9142 42.0584 174.8285 83 T 4.3911 8.4415 110.0423 64.8814 68.9740 176.4532 84 Q 3.9636 8.1800 122.1401 59.2102 29.2025 177.8766 85 E 4.0551 8.6780 119.6346 59.4684 29.4432 179.2355 86 M 3.9440 8.1600 118.9049 58.4044 31.9039 178.8390 87 L 4.1795 8.1743 119.1980 57.8003 41.7337 179.3580 88 Q 3.9972 8.2237 119.6847 59.2967 28.9955 177.9359 89 C 4.1939 8.6513 118.2976 62.9461 28.0732 175.9125 90 D 4.6246 8.2973 120.4861 57.3225 40.4777 178.4215 91 L 4.0096 8.3604 121.2524 58.4096 42.1702 178.8670 92 N 4.4056 8.4886 116.4794 56.1192 38.3936 177.1675 93 L 4.0192 8.1163 121.7934 58.1668 42.1511 178.7844 94 E 4.0684 8.6117 118.7823 59.6837 29.4549 179.4550 95 L 4.0182 8.0944 118.8327 57.5207 41.7227 179.6215 96 K 3.9393 8.0677 119.0073 59.4946 32.2058 178.7238 97 A 4.2257 8.1945 121.2303 55.6554 18.2586 179.8019 98 T 3.8971 8.2566 114.4338 66.3466 68.5004 176.9759 99 K 3.9356 7.9274 121.2409 59.7918 32.3399 178.6049 100 D 4.4450 8.0218 118.7904 57.3187 40.5737 178.9473 101 L 4.0069 7.8915 119.5322 57.7973 41.6536 179.6499 102 R 3.9184 8.0797 117.9334 59.5245 29.9326 179.1083 103 E 4.0244 8.1207 117.5007 59.1651 29.3974 179.3076 104 A 3.6333 8.0511 121.1031 54.8107 18.3418 179.7858 105 I 3.6334 8.0316 118.7315 64.5287 37.2372 178.4947 106 V 3.5581 7.7485 119.1161 66.4549 31.1873 177.6307 107 H 3.9790 7.9815 117.4483 59.4075 29.7513 176.6602 108 C 3.8636 8.0509 118.6679 63.0174 27.9247 175.8896 109 E 3.9099 8.3099 120.4465 59.4444 29.0405 178.3962 110 Q 3.9711 7.8043 117.9554 58.9335 29.0365 178.1769 111 V 4.0293 7.3080 110.0177 60.5143 32.0440 175.4731 112 H 2.9966 7.8219 114.0626 56.8575 26.7673 176.1633 113 D 4.4963 7.5037 120.7350 53.7112 39.0907 175.2733 114 Y 4.3531 7.7069 122.3926 60.0920 38.4306 177.2220 115 V 3.6553 7.8658 119.0988 66.0227 31.6723 178.1229 116 S 4.1494 8.5305 115.0315 61.3668 62.6616 176.3590 117 R 3.8881 7.9672 121.4607 59.7012 29.8051 177.9292 118 D 4.3844 8.3022 118.5993 57.4777 40.8903 178.6711 119 L 3.9188 7.8665 120.4031 58.4762 42.0942 179.1933 120 L 4.0598 8.1761 118.7059 57.4252 41.5059 179.3871 121 K 4.0095 8.5319 120.2706 59.2812 32.1184 178.7505 122 D 4.3462 8.0386 119.5215 57.1747 40.7425 178.5656 123 I 3.4430 7.6696 120.3494 64.3212 37.1118 178.1181 124 L 3.9307 7.9823 121.0321 58.1849 41.8481 178.5771 125 E 3.9181 8.3047 119.2102 59.4211 29.4933 178.8315 126 S 4.1079 7.8800 112.6815 61.3004 62.3607 175.9843 127 E 3.9589 8.3198 121.5149 59.2413 29.1227 179.1132 128 E 4.0429 8.4133 118.9269 59.3281 29.5032 179.1876 129 E 4.0358 8.1828 118.8444 59.5433 29.4951 178.9913 130 H 4.3509 8.3958 116.4865 59.1150 28.8074 177.8724 131 I 3.7916 8.2438 121.9272 64.2993 36.8182 177.8889 132 D 4.3384 8.3626 118.9779 57.5619 41.0813 177.7425 133 Y 4.0545 8.1636 119.8200 60.6902 38.8150 178.0104 134 L 3.6850 8.0301 119.7979 57.8722 41.6905 179.4583 135 E 3.9229 8.2777 118.4718 59.6228 29.3485 179.4227 136 T 3.7841 8.0726 116.0459 66.8050 68.4218 176.6758 137 Q 3.7354 7.7174 119.7809 58.7130 28.6658 178.5847 138 L 3.8507 7.7371 120.1872 57.6663 41.6137 179.8138 139 G 3.5574 8.1751 105.7956 47.8204 0.0000 175.7977 140 L 4.0077 7.8520 121.4291 57.3382 41.6796 179.4362 141 I 3.5288 7.4679 119.9589 64.5549 36.8015 178.3711 142 Q 3.9561 7.6645 117.3178 58.9145 28.6189 178.6802 143 K 4.2110 7.9644 118.0084 58.0272 32.4768 178.6772 144 V 4.2226 8.5979 110.8717 59.6802 32.9942 176.4655 145 G 4.1361 7.6302 106.3485 45.8540 0.0000 174.5159 146 L 3.9884 8.4698 122.6232 58.0437 42.0820 179.5058 147 E 3.9670 8.0959 117.9287 59.4854 29.5714 178.7444 148 N 4.3069 8.1676 116.0232 56.5180 38.4265 176.6329 149 Y 3.9721 7.9499 119.5118 60.6922 39.1409 177.7394 150 L 4.0599 8.1919 119.9480 57.7549 41.5668 179.1434 151 Q 3.8854 8.1635 119.4881 59.4632 28.8000 178.6528 152 S 4.1748 7.9574 113.8989 60.4122 62.9715 174.6451 153 H 4.6112 7.8414 118.9914 55.6634 29.3857 175.9470 154 M 4.0210 7.7592 121.0990 58.2021 32.3553 175.4143 155 H 5.1353 7.6445 114.2459 54.0622 30.4241 175.0872 156 E 4.1366 8.7296 122.2963 56.7368 29.3127 176.7287 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 K 8.30 4.28 0.00 1.98 1.75 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.03 7.81 3 G 8.82 3.69 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 0.00 4 D 8.78 4.41 0.00 2.78 2.54 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 0.00 0.00 0.00 0.00 5 K 8.91 3.89 0.00 1.93 1.77 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.51 1.11 7.81 6 K 8.47 4.01 0.00 1.77 1.67 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.61 7.81 7 V 7.81 3.58 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 1.20 0.00 0.00 0.92 0.00 0.00 8 I 7.69 3.70 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.69 0.89 0.00 0.00 9 Q 7.99 3.92 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 10 H 8.17 4.18 0.00 3.40 3.29 0.00 5.68 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 11 L 8.27 4.00 0.00 1.87 1.73 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.80 4.37 0.00 2.78 2.86 0.00 0.00 6.70 8.38 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 13 K 7.83 4.01 0.00 1.83 2.02 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.45 1.48 7.81 14 I 8.07 3.73 2.00 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 1.56 0.81 0.92 0.00 0.00 15 L 8.34 4.03 0.00 1.73 1.91 0.92 1.02 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 16 G 8.23 3.67 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 0.00 0.00 0.00 17 N 7.98 4.37 0.00 3.00 2.89 0.00 0.00 7.00 8.09 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 18 E 8.35 3.98 0.00 2.12 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 2.59 2.54 0.00 19 L 8.03 4.10 0.00 1.81 1.67 0.90 0.64 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 20 I 7.66 3.64 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.72 0.88 0.00 0.00 21 A 7.79 3.34 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 0.00 0.00 0.00 0.00 0.00 22 I 7.94 3.57 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.01 0.87 0.00 0.00 23 N 7.82 4.40 0.00 2.70 2.83 0.00 0.00 6.76 8.04 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 24 Q 8.03 3.84 0.00 2.08 1.96 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 2.41 2.34 0.00 25 Y 7.93 4.84 0.00 3.03 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 26 F 8.47 3.95 0.00 3.33 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 27 L 8.20 4.01 0.00 1.84 1.82 0.88 0.86 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 28 H 8.22 3.93 0.00 3.50 2.97 0.00 5.71 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.56 4.35 0.00 3.87 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 30 R 7.78 3.87 0.00 1.99 1.88 0.00 2.91 0.00 0.00 2.47 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 31 M 7.96 3.47 0.00 0.87 1.59 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.18 0.00 32 W 7.90 4.51 0.00 3.62 3.30 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 33 N 8.60 4.35 0.00 2.84 2.85 0.00 0.00 6.66 7.73 0.00 0.00 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 D 8.18 4.30 0.00 2.49 2.57 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 0.00 0.00 0.00 0.00 35 W 7.94 4.90 0.00 3.76 3.15 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 36 G 8.36 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 37 L 8.03 4.61 0.00 2.09 1.64 1.23 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.57 4.13 0.00 2.02 2.00 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 39 R 8.02 3.96 0.00 1.88 1.93 0.00 3.25 0.00 0.00 3.05 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 40 L 7.73 3.88 0.00 1.32 0.31 0.43 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.19 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 4.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.15 4.01 0.00 3.31 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.63 4.00 0.00 2.47 2.38 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 2.78 2.69 0.00 45 Y 8.32 4.03 0.00 2.96 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 46 H 8.20 4.02 0.00 3.30 3.23 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.00 3.80 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 2.39 2.19 0.00 48 S 8.28 4.22 0.00 4.07 4.07 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 0.00 0.00 0.00 0.00 49 I 7.54 3.57 1.84 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 0.11 0.84 0.00 0.00 50 D 8.11 4.34 0.00 2.93 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 51 E 8.17 4.01 0.00 2.13 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 0.00 2.77 2.54 0.00 52 M 8.20 4.00 0.00 2.02 2.25 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.56 0.00 53 K 8.13 4.07 0.00 1.94 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.68 7.81 54 H 8.39 4.19 0.00 3.47 3.44 0.00 5.64 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 55 A 8.28 3.99 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 56 D 7.96 4.26 0.00 2.93 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 57 K 8.08 4.01 0.00 1.99 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.71 7.81 58 L 8.01 4.03 0.00 1.88 1.72 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.17 3.71 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 1.52 0.65 0.92 0.00 0.00 60 E 8.31 4.00 0.00 2.02 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 2.34 2.58 0.00 61 R 8.06 3.99 0.00 2.07 2.11 0.00 3.33 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 62 I 8.08 3.73 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.66 0.92 0.00 0.00 63 L 8.01 4.01 0.00 2.01 1.78 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.13 4.31 0.00 2.94 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.97 3.80 0.00 1.86 1.60 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.76 3.82 0.00 1.99 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 2.15 2.24 0.00 67 G 8.09 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 68 L 8.01 4.58 0.00 1.60 1.60 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.39 0.00 2.04 1.98 0.00 3.65 0.00 0.00 3.79 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 70 N 9.12 4.67 0.00 2.64 2.81 0.00 0.00 7.07 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 71 L 8.26 4.60 0.00 1.61 1.63 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.12 4.05 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 73 D 8.08 4.60 0.00 2.72 2.60 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 74 L 8.32 4.58 0.00 1.52 1.51 0.88 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 75 G 8.34 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.40 4.24 0.00 1.70 1.73 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.51 7.81 77 L 8.43 4.02 0.00 1.63 1.56 0.88 0.99 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 78 L 8.86 4.44 0.00 1.75 1.68 1.04 0.72 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 79 I 7.99 4.22 1.88 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 1.33 0.75 0.92 0.00 0.00 80 G 8.67 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 0.00 0.00 0.00 81 E 8.73 4.78 0.00 2.09 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 2.39 2.24 0.00 82 N 7.70 5.05 0.00 2.86 2.84 0.00 0.00 5.97 7.22 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 83 T 8.44 4.39 5.47 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 1.57 0.00 0.00 84 Q 8.18 3.96 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 85 E 8.68 4.06 0.00 2.23 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 2.34 2.58 0.00 86 M 8.16 3.94 0.00 1.45 2.16 0.00 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 1.88 0.00 87 L 8.17 4.18 0.00 1.76 1.73 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.22 4.00 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.65 4.19 0.00 3.29 3.20 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 90 D 8.30 4.62 0.00 2.96 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 4.01 0.00 1.87 1.89 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.49 4.41 0.00 2.98 2.89 0.00 0.00 6.68 6.44 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 93 L 8.12 4.02 0.00 1.99 1.97 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.61 4.07 0.00 2.26 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 0.00 2.74 2.64 0.00 95 L 8.09 4.02 0.00 1.74 1.75 0.95 0.38 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 96 K 8.07 3.94 0.00 1.92 1.99 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.52 7.81 97 A 8.19 4.23 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.26 3.90 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 1.29 0.00 0.00 99 K 7.93 3.94 0.00 1.99 1.91 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.45 1.50 7.81 100 D 8.02 4.44 0.00 2.93 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 0.00 101 L 7.89 4.01 0.00 1.89 1.72 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.08 3.92 0.00 2.05 1.99 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 103 E 8.12 4.02 0.00 2.06 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 2.49 0.00 104 A 8.05 3.63 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 0.00 105 I 8.03 3.63 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.65 0.93 0.00 0.00 106 V 7.75 3.56 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 0.98 0.00 0.00 0.96 0.00 0.00 107 H 7.98 3.98 0.00 3.29 3.27 0.00 5.86 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 0.00 108 C 8.05 3.86 0.00 3.16 3.20 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 0.00 109 E 8.31 3.91 0.00 2.13 2.15 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 2.37 2.46 0.00 110 Q 7.80 3.97 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.03 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 111 V 7.31 4.03 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 0.80 0.00 0.00 0.94 0.00 0.00 112 H 7.82 3.00 0.00 3.11 3.08 0.00 5.64 0.00 0.00 0.00 0.00 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.50 4.50 0.00 2.63 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.71 4.35 0.00 3.07 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 0.00 115 V 7.87 3.66 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 1.10 0.00 0.00 1.01 0.00 0.00 116 S 8.53 4.15 0.00 4.04 3.91 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 0.00 117 R 7.97 3.89 0.00 1.94 2.21 0.00 3.20 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 118 D 8.30 4.38 0.00 3.06 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 0.00 119 L 7.87 3.92 0.00 1.88 1.88 0.94 0.74 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 0.00 120 L 8.18 4.06 0.00 1.86 1.70 0.92 0.79 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 0.00 121 K 8.53 4.01 0.00 1.88 2.04 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.35 7.81 122 D 8.04 4.35 0.00 2.93 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 0.00 123 I 7.67 3.44 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.67 0.80 0.00 0.00 124 L 7.98 3.93 0.00 1.83 1.86 0.93 0.77 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 0.00 125 E 8.30 3.92 0.00 2.08 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 0.00 2.31 2.32 0.00 126 S 7.88 4.11 0.00 3.97 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 0.00 127 E 8.32 3.96 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 128 E 8.41 4.04 0.00 2.18 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 2.35 2.60 0.00 129 E 8.18 4.04 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 2.36 2.51 0.00 130 H 8.40 4.35 0.00 3.54 3.41 0.00 5.64 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 0.00 131 I 8.24 3.79 2.08 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 1.47 0.79 0.95 0.00 0.00 132 D 8.36 4.34 0.00 2.96 2.94 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 0.00 0.00 0.00 133 Y 8.16 4.05 0.00 3.15 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 0.00 134 L 8.03 3.69 0.00 1.99 1.68 1.04 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.28 3.92 0.00 1.99 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 2.32 2.62 0.00 136 T 8.07 3.78 4.28 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 1.19 0.00 0.00 137 Q 7.72 3.74 0.00 1.67 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 1.42 1.88 0.00 138 L 7.74 3.85 0.00 1.71 1.61 0.84 0.90 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 0.00 139 G 8.18 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.85 4.01 0.00 1.74 1.83 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.47 3.53 1.78 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 -0.07 0.81 0.00 0.00 142 Q 7.66 3.96 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.96 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 143 K 7.96 4.21 0.00 1.72 1.86 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.62 7.81 144 V 8.60 4.22 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 0.79 0.00 0.00 1.12 0.00 0.00 145 G 7.63 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 0.00 146 L 8.47 3.99 0.00 1.76 1.68 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.10 3.97 0.00 2.06 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 2.40 2.40 0.00 148 N 8.17 4.31 0.00 3.16 2.90 0.00 0.00 6.71 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.95 3.97 0.00 3.02 3.15 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 0.00 150 L 8.19 4.06 0.00 1.87 1.72 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.16 3.89 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 152 S 7.96 4.17 0.00 3.77 3.67 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 0.00 153 H 7.84 4.61 0.00 2.86 3.02 0.00 5.80 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.76 4.02 0.00 1.76 2.06 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.37 0.00 155 H 7.64 5.14 0.00 3.14 3.16 0.00 5.77 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.73 4.14 0.00 1.95 1.86 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 2.31 2.30 0.00