NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1625 8.3031 122.0301 55.9907 33.1198 175.3839 3 G 3.6478 8.9440 115.7089 44.8022 0.0000 171.1989 4 D 4.4264 8.8205 120.1525 54.4560 42.2196 175.5407 5 K 3.8884 8.9752 126.4389 59.7967 32.3344 179.0076 6 K 4.2616 8.0760 119.0667 58.0004 31.9900 179.3618 7 V 3.6916 8.2469 119.1507 66.1625 31.4075 177.9753 8 I 3.7066 7.7111 119.3881 64.4561 36.9310 178.2708 9 Q 3.9589 8.1833 118.8029 59.4124 28.5119 178.7192 10 H 4.2308 8.1968 116.8705 59.0788 28.7590 177.7602 11 L 4.0052 8.3145 120.9120 58.0641 41.4260 179.4481 12 N 4.3967 8.5002 116.3358 55.7104 38.4030 177.5448 13 K 3.9509 8.0556 121.5368 59.5277 32.2855 179.0006 14 I 3.7635 8.0657 120.3674 64.1126 36.8546 178.2122 15 L 4.0432 8.2481 121.6278 58.0903 41.9883 179.2263 16 G 3.6055 8.2873 105.7746 47.8380 0.0000 175.4050 17 N 4.3364 8.1084 118.7221 56.1374 38.3744 177.1986 18 E 3.9504 8.3349 120.0269 59.5722 29.4614 179.5279 19 L 4.0426 8.1833 119.0927 57.6239 41.5590 179.5709 20 I 3.6224 7.6598 119.4428 64.3582 37.0714 178.2304 21 A 3.2585 7.7392 121.3497 54.8912 18.0862 179.3427 22 I 3.5809 7.9313 118.6463 65.0408 37.2820 178.4195 23 N 4.3707 7.7901 116.9726 56.1302 38.2553 177.4792 24 Q 3.8599 8.2690 121.4974 59.4449 29.1500 177.9172 25 Y 4.6899 7.8886 119.2395 60.3824 37.8698 177.9954 26 F 3.8970 8.5303 121.8599 61.1638 39.5130 177.0183 27 L 3.9611 8.1327 119.9199 58.4478 41.8339 178.4271 28 H 3.8154 8.3734 116.5032 58.7952 28.5268 177.3605 29 S 4.3207 8.4581 115.1838 61.9332 62.1623 176.6448 30 R 3.9215 7.8125 119.8194 58.6818 29.7301 179.0525 31 M 3.4831 7.8247 119.1238 57.7925 31.8651 178.4441 32 W 4.5370 7.9121 119.3188 60.0472 29.2474 178.2780 33 N 4.3532 8.5459 116.5339 56.3048 37.7715 176.5603 34 D 4.3441 7.9718 118.5873 57.5557 41.3277 178.5009 35 W 4.7783 7.8967 116.1385 57.5287 28.8745 177.3061 36 G 3.9771 8.3022 107.9428 45.8339 0.0000 174.2563 37 L 4.8537 7.9534 121.6353 53.2472 40.2881 177.7628 38 K 4.0687 8.3265 120.9800 59.1287 32.4292 179.1803 39 R 3.9020 8.0591 119.4436 59.2213 29.8964 178.5033 40 L 3.8466 7.7552 118.6096 57.4391 41.5335 179.5047 41 G 3.7271 8.2627 105.5698 47.7898 0.0000 175.6950 42 A 4.0212 8.2228 123.4603 54.9971 18.4040 179.1480 43 H 3.9415 8.2653 116.8136 59.4859 29.6149 177.1397 44 E 3.9946 8.5946 121.3384 59.2105 29.4046 177.7724 45 Y 4.0479 8.1083 119.7481 61.4066 38.7705 178.2981 46 H 4.0524 8.1577 116.5701 58.7248 28.8079 177.7289 47 E 3.8856 8.1221 120.6705 59.1463 29.1069 179.3091 48 S 4.2339 8.0512 113.2689 61.5300 62.5696 176.0883 49 I 3.5636 7.6411 122.6468 64.6691 36.8349 178.0935 50 D 4.2919 8.0783 119.4503 57.3636 40.5426 178.8235 51 E 4.2078 8.0909 120.2551 58.9804 29.4563 178.9803 52 M 3.9862 8.2131 119.0249 58.6270 32.0742 179.0099 53 K 3.9550 8.0107 118.2212 59.7668 32.1863 179.1207 54 H 4.2617 8.1511 116.2637 58.6974 28.5297 177.6344 55 A 3.9829 8.1929 122.6201 55.1935 18.2492 178.9276 56 D 4.2861 8.1508 116.4976 57.7727 41.3102 178.8523 57 K 4.0318 8.0747 118.6655 59.3531 31.8755 179.4572 58 L 4.0260 8.0275 119.4168 57.7257 41.6173 179.2980 59 I 3.7054 8.0918 120.1733 64.6081 37.0033 178.3564 60 E 3.9964 8.2195 119.2464 59.2911 29.2047 179.4645 61 R 3.9728 8.0013 118.6499 59.6137 30.1667 178.4080 62 I 3.7164 8.0647 119.9322 64.6603 37.1029 178.4083 63 L 4.0302 8.0112 119.5675 57.5530 41.2711 179.2006 64 F 4.3209 8.3374 120.1087 61.1028 39.6990 176.4038 65 L 3.8791 8.2513 116.6786 54.6261 41.2183 177.5936 66 E 3.8133 7.9056 119.1377 56.2726 28.6364 174.2813 67 G 3.8743 7.9414 106.6287 44.5508 0.0000 173.3361 68 L 4.5628 8.0060 119.0208 51.9981 42.5840 175.2847 69 P 4.4040 0.0000 0.0000 62.4640 31.8063 175.8920 70 N 4.6561 9.0439 122.3226 52.5650 38.2669 174.0197 71 L 4.6273 8.2887 124.0026 54.4991 42.3625 177.4497 72 Q 4.1636 8.2486 121.8171 57.5660 29.3463 175.8608 73 D 4.6285 7.8341 118.1218 52.5214 39.6536 173.3842 74 L 4.2027 7.9521 123.4174 53.7519 42.9368 177.4658 75 G 3.8116 8.2903 116.7454 44.8307 0.0000 171.2818 76 K 4.2175 8.3785 121.5953 55.1581 32.5689 177.2461 77 L 4.0799 8.4030 127.0517 54.4707 42.1953 176.8515 78 L 4.4075 8.9842 124.7993 53.3588 41.0982 175.6014 79 I 4.3333 8.0998 124.7292 59.2958 38.2299 176.6009 80 G 3.9844 8.7401 114.9586 44.9021 0.0000 172.5736 81 E 4.6903 8.8317 115.8812 55.9480 30.4075 175.4492 82 N 5.0559 7.6433 117.0008 50.9439 41.7600 174.9724 83 T 4.3906 8.6225 116.2179 67.1409 68.5214 176.4264 84 Q 3.9736 8.2092 120.7376 59.4310 29.0912 178.1111 85 E 4.0436 8.7504 119.5912 59.5796 29.4431 179.2459 86 M 3.9309 8.7066 119.2037 58.2742 31.9499 178.8634 87 L 4.1946 8.3411 119.2848 57.9123 41.8777 179.2902 88 Q 4.0254 8.1703 119.5621 59.3073 28.9383 178.0918 89 C 4.2310 8.5908 118.2769 63.0104 28.2035 175.8197 90 D 4.6558 8.3223 120.5217 57.3816 40.3845 178.6138 91 L 4.0614 8.1075 120.8867 57.9486 41.8637 178.7078 92 N 4.3770 8.7678 117.1478 56.1332 38.5492 177.0970 93 L 4.0180 8.1981 121.8153 58.2845 42.1839 178.9532 94 E 4.1210 8.5209 118.5887 59.2390 29.2308 179.2724 95 L 4.0189 8.0270 119.3220 57.4997 41.6071 179.4623 96 K 3.9534 7.8929 119.2751 59.4453 32.1207 178.6360 97 A 3.9956 7.9081 120.8912 55.6538 18.3298 179.5906 98 T 3.8168 8.1549 111.4787 64.8340 67.2133 176.5482 99 K 3.9576 7.7489 122.0247 59.5550 32.2913 178.5932 100 D 4.4064 8.3182 119.2783 57.2255 40.8036 178.7725 101 L 3.9796 8.2440 119.8131 58.0236 41.6838 179.7923 102 R 3.9833 7.9780 117.8318 59.2062 29.9230 179.0453 103 E 3.9518 8.0482 118.3296 59.3785 29.4400 179.2365 104 A 3.6274 7.9443 120.7945 55.0354 18.3096 179.8454 105 I 3.6700 7.6509 117.9898 64.2814 37.1889 178.5166 106 V 3.5741 7.8320 119.2076 66.5122 31.3255 177.5137 107 H 4.0998 8.1451 117.6066 59.5015 29.7589 176.9612 108 C 4.0216 8.4274 118.9077 62.6604 28.0401 175.5195 109 E 3.9466 8.4266 121.2449 59.5239 28.9618 178.8128 110 Q 4.0085 7.7558 118.2778 58.7073 29.1805 177.4507 111 V 3.9295 7.3215 110.5393 60.8889 31.7226 175.9967 112 H 3.2298 7.4548 113.9576 56.9053 26.7295 176.4174 113 D 4.4867 7.2644 121.2479 53.4398 38.2828 176.0226 114 Y 4.3241 7.3201 121.5756 60.4269 38.4504 177.7457 115 V 3.6781 7.8396 119.0705 66.1009 31.7815 178.1654 116 S 4.1863 8.4798 115.0440 61.3090 62.5302 176.5484 117 R 3.8905 7.9820 121.5411 59.5821 29.9802 178.0404 118 D 4.3278 8.1655 117.7837 57.2150 41.1746 177.9497 119 L 3.9643 7.9111 120.7218 58.2628 42.0411 179.0634 120 L 4.0330 8.0918 118.9468 57.5431 41.5011 179.2726 121 K 3.9141 8.4285 120.0166 59.5259 32.0344 178.7010 122 D 4.3235 8.0880 118.9752 57.3571 40.7193 178.6037 123 I 3.4894 7.7045 120.3373 64.3051 37.0032 178.1859 124 L 3.9353 8.2069 121.3567 58.0320 41.8441 178.5785 125 E 3.9104 8.3904 119.3819 59.3170 29.5831 178.5744 126 S 4.2764 8.0120 113.0928 61.7444 62.3960 176.0973 127 E 4.2096 8.5389 121.3864 59.4780 29.1023 179.2539 128 E 4.0039 8.6258 119.0509 59.3830 29.4458 178.9647 129 E 4.0163 8.4228 118.7908 60.0261 29.5278 179.1037 130 H 4.3824 8.3357 118.0074 59.0925 29.7989 177.3824 131 I 3.6951 8.0750 121.9865 64.2845 36.9657 177.6415 132 D 4.3237 8.4845 119.1955 57.5874 41.0733 177.4178 133 Y 4.0903 8.2691 120.0391 60.8913 38.7453 178.3067 134 L 3.8423 8.2398 119.4969 58.0058 41.7298 179.4877 135 E 3.9684 8.4362 118.6684 59.6130 29.3208 179.6860 136 T 3.8058 7.9249 115.9180 66.5762 68.4837 176.8932 137 Q 3.8098 7.7131 119.9379 58.7372 28.4492 178.5711 138 L 3.8597 7.7416 120.1212 57.7837 41.6927 179.6568 139 G 3.7685 8.1354 105.6466 48.0472 0.0000 175.6610 140 L 4.0436 7.7635 121.1441 57.5231 41.7363 179.4300 141 I 3.6278 7.4825 119.7787 64.4139 36.6829 178.5847 142 Q 3.9333 7.2901 116.6050 58.9322 28.7326 178.4600 143 K 4.1331 7.9049 118.0916 58.9270 32.2571 179.0445 144 V 4.1717 8.2928 110.0864 59.9480 32.9625 176.8016 145 G 4.0372 7.6611 106.4447 45.7970 0.0000 174.4026 146 L 3.9787 8.5267 123.2637 58.0730 42.0632 179.4210 147 E 3.9734 8.1097 118.0099 59.4746 29.4242 178.9041 148 N 4.3271 8.1101 116.0357 56.3970 38.4742 176.5818 149 Y 3.9525 8.0183 119.9079 60.8070 39.1216 177.9855 150 L 4.1022 8.3295 120.0251 57.7494 41.8006 179.2599 151 Q 3.8973 8.0207 119.6157 59.2015 28.8329 178.1284 152 S 4.2587 8.0987 114.3157 60.2424 63.0459 174.4680 153 H 4.6151 7.7193 118.3251 55.6256 29.6421 175.9353 154 M 4.1910 7.9906 120.7153 58.0386 31.9358 176.1156 155 H 5.0133 7.5598 114.1311 54.1504 30.4354 175.2037 156 E 4.1290 8.6733 121.0641 56.8350 29.2532 176.9588 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 4.16 0.00 1.71 1.75 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.47 7.81 3 G 8.94 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 4 D 8.82 4.43 0.00 2.79 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 5 K 8.98 3.89 0.00 1.85 1.78 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.52 7.81 6 K 8.08 4.26 0.00 1.93 1.65 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.48 7.81 7 V 8.25 3.69 2.25 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 1.16 0.00 0.00 0.94 0.00 0.00 8 I 7.71 3.71 2.02 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 1.52 0.51 0.91 0.00 0.00 9 Q 8.18 3.96 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 10 H 8.20 4.23 0.00 3.46 3.35 0.00 5.63 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 8.31 4.01 0.00 1.81 1.75 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.50 4.40 0.00 2.94 2.85 0.00 0.00 6.67 7.99 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 13 K 8.06 3.95 0.00 1.82 1.95 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.07 3.76 1.89 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 1.71 0.70 0.92 0.00 0.00 15 L 8.25 4.04 0.00 1.83 1.89 0.92 0.94 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 16 G 8.29 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 17 N 8.11 4.34 0.00 2.94 2.88 0.00 0.00 6.99 7.75 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 18 E 8.33 3.95 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 2.58 2.54 0.00 19 L 8.18 4.04 0.00 1.64 1.67 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.66 3.62 1.96 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 1.41 0.81 0.88 0.00 0.00 21 A 7.74 3.26 1.05 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 0.00 0.00 0.00 0.00 0.00 22 I 7.93 3.58 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 1.53 0.62 0.85 0.00 0.00 23 N 7.79 4.37 0.00 2.70 2.82 0.00 0.00 6.76 7.46 0.00 0.00 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 8.27 3.86 0.00 1.97 1.90 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 2.51 2.29 0.00 25 Y 7.89 4.69 0.00 3.03 2.96 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 0.00 0.00 0.00 26 F 8.53 3.90 0.00 3.27 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 27 L 8.13 3.96 0.00 1.84 1.66 0.88 0.85 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 28 H 8.37 3.82 0.00 3.45 2.82 0.00 5.71 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 29 S 8.46 4.32 0.00 3.99 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 30 R 7.81 3.92 0.00 1.87 1.88 0.00 2.97 0.00 0.00 2.65 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 31 M 7.82 3.48 0.00 0.93 1.61 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.19 0.00 32 W 7.91 4.54 0.00 3.65 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.55 4.35 0.00 2.84 2.85 0.00 0.00 6.68 7.84 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 34 D 7.97 4.34 0.00 2.56 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 7.90 4.78 0.00 3.69 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 8.30 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 37 L 7.95 4.85 0.00 1.98 1.62 1.28 0.76 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 38 K 8.33 4.07 0.00 2.00 1.86 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.48 7.81 39 R 8.06 3.90 0.00 2.04 1.94 0.00 3.13 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 40 L 7.76 3.85 0.00 1.27 0.13 0.25 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.26 3.73 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 0.00 0.00 0.00 42 A 8.22 4.02 1.38 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 0.00 0.00 43 H 8.27 3.94 0.00 3.36 3.27 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.59 3.99 0.00 2.60 2.24 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 2.74 2.62 0.00 45 Y 8.11 4.05 0.00 3.02 3.03 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 46 H 8.16 4.05 0.00 3.34 3.25 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 8.12 3.89 0.00 1.97 1.74 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 2.21 2.14 0.00 48 S 8.05 4.23 0.00 4.08 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 49 I 7.64 3.56 1.81 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.46 0.85 0.00 0.00 50 D 8.08 4.29 0.00 2.83 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.09 4.21 0.00 2.19 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 2.73 2.50 0.00 52 M 8.21 3.99 0.00 2.00 2.23 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.54 0.00 53 K 8.01 3.96 0.00 1.85 1.82 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.61 7.81 54 H 8.15 4.26 0.00 3.50 3.35 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 8.19 3.98 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 56 D 8.15 4.29 0.00 2.80 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 8.07 4.03 0.00 2.03 1.87 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.64 7.81 58 L 8.03 4.03 0.00 1.87 1.73 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.09 3.71 2.01 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 1.05 0.92 0.00 0.00 60 E 8.22 4.00 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 61 R 8.00 3.97 0.00 2.08 2.13 0.00 3.31 0.00 0.00 3.22 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 8.06 3.72 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 1.54 0.57 0.97 0.00 0.00 63 L 8.01 4.03 0.00 2.10 1.77 0.97 1.03 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 64 F 8.34 4.32 0.00 2.96 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.25 3.88 0.00 1.81 1.60 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.91 3.81 0.00 1.99 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 2.12 2.22 0.00 67 G 7.94 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 0.00 0.00 0.00 68 L 8.01 4.56 0.00 1.62 1.61 0.91 1.00 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 69 P 0.00 4.40 0.00 2.04 1.99 0.00 3.66 0.00 0.00 3.77 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 70 N 9.04 4.66 0.00 2.65 2.74 0.00 0.00 7.07 8.07 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 71 L 8.29 4.63 0.00 1.61 1.62 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.25 4.16 0.00 1.99 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 7.10 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 73 D 7.83 4.63 0.00 2.68 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 74 L 7.95 4.20 0.00 1.55 1.56 0.88 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.29 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 0.00 0.00 0.00 76 K 8.38 4.22 0.00 1.70 1.73 0.00 1.66 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 8.40 4.08 0.00 1.63 1.55 0.97 0.98 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 78 L 8.98 4.41 0.00 1.74 1.68 1.01 0.72 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 79 I 8.10 4.33 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.81 0.91 0.00 0.00 80 G 8.74 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 81 E 8.83 4.69 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.24 0.00 82 N 7.64 5.06 0.00 2.88 2.85 0.00 0.00 6.21 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 8.62 4.39 4.48 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 1.56 0.00 0.00 84 Q 8.21 3.97 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 85 E 8.75 4.04 0.00 2.22 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 2.35 2.61 0.00 86 M 8.71 3.93 0.00 1.22 2.18 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.03 0.00 87 L 8.34 4.19 0.00 1.94 1.77 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.17 4.03 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.59 4.23 0.00 3.35 3.22 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 90 D 8.32 4.66 0.00 2.99 2.76 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 91 L 8.11 4.06 0.00 1.87 1.92 0.93 0.44 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 92 N 8.77 4.38 0.00 2.89 2.88 0.00 0.00 6.58 6.76 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 93 L 8.20 4.02 0.00 1.97 1.97 0.92 0.85 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 94 E 8.52 4.12 0.00 2.07 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 0.00 2.65 2.43 0.00 95 L 8.03 4.02 0.00 1.86 1.74 0.94 0.69 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 96 K 7.89 3.95 0.00 1.87 2.01 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 97 A 7.91 4.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 3.82 4.56 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 1.28 0.00 0.00 99 K 7.75 3.96 0.00 1.84 1.92 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 100 D 8.32 4.41 0.00 2.89 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 0.00 101 L 8.24 3.98 0.00 1.93 1.73 0.93 1.26 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 7.98 3.98 0.00 1.89 1.99 0.00 3.14 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 103 E 8.05 3.95 0.00 2.17 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 0.00 2.35 2.46 0.00 104 A 7.94 3.63 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 0.00 105 I 7.65 3.67 2.02 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 0.78 0.93 0.00 0.00 106 V 7.83 3.57 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 1.01 0.00 0.00 1.01 0.00 0.00 107 H 8.15 4.10 0.00 3.28 3.31 0.00 5.84 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 8.43 4.02 0.00 2.95 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 0.00 109 E 8.43 3.95 0.00 2.22 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 0.00 2.37 2.46 0.00 110 Q 7.76 4.01 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 111 V 7.32 3.93 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 0.62 0.00 0.00 0.75 0.00 0.00 112 H 7.45 3.23 0.00 3.16 3.16 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.26 4.49 0.00 2.65 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 7.32 4.32 0.00 3.09 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.84 3.68 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 1.09 0.00 0.00 0.99 0.00 0.00 116 S 8.48 4.19 0.00 4.19 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 0.00 117 R 7.98 3.89 0.00 2.03 2.19 0.00 3.21 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 118 D 8.17 4.33 0.00 3.04 2.76 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 0.00 119 L 7.91 3.96 0.00 1.80 1.88 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.09 4.03 0.00 1.90 1.70 0.93 0.88 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 0.00 121 K 8.43 3.91 0.00 1.89 2.00 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 122 D 8.09 4.32 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 0.00 123 I 7.70 3.49 1.95 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 1.17 0.82 0.86 0.00 0.00 124 L 8.21 3.94 0.00 1.84 1.86 0.94 1.09 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 8.39 3.91 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 126 S 8.01 4.28 0.00 3.99 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 0.00 127 E 8.54 4.21 0.00 2.16 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 2.56 2.53 0.00 128 E 8.63 4.00 0.00 2.24 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 0.00 2.36 2.47 0.00 129 E 8.42 4.02 0.00 2.22 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 2.37 2.59 0.00 130 H 8.34 4.38 0.00 3.36 3.52 0.00 5.61 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 0.00 131 I 8.07 3.70 2.09 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 1.43 0.74 0.93 0.00 0.00 132 D 8.48 4.32 0.00 2.80 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 0.00 133 Y 8.27 4.09 0.00 3.18 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.24 3.84 0.00 2.11 1.69 1.12 0.68 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 0.00 135 E 8.44 3.97 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 136 T 7.92 3.81 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 1.16 0.00 0.00 137 Q 7.71 3.81 0.00 1.85 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 1.43 1.84 0.00 138 L 7.74 3.86 0.00 1.81 1.63 0.83 0.85 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 0.00 139 G 8.14 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.76 4.04 0.00 1.87 1.90 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.48 3.63 1.77 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.22 0.81 0.00 0.00 142 Q 7.29 3.93 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 143 K 7.90 4.13 0.00 1.74 1.87 0.00 1.67 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 1.46 1.74 7.81 144 V 8.29 4.17 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 0.78 0.00 0.00 1.10 0.00 0.00 145 G 7.66 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 0.00 146 L 8.53 3.98 0.00 1.76 1.69 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.11 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 8.11 4.33 0.00 3.08 2.88 0.00 0.00 6.73 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 8.02 3.95 0.00 2.97 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 0.00 150 L 8.33 4.10 0.00 1.75 1.74 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.02 3.90 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 152 S 8.10 4.26 0.00 3.74 3.68 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 0.00 153 H 7.72 4.62 0.00 2.94 3.05 0.00 5.81 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.99 4.19 0.00 1.95 2.06 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 2.58 2.46 0.00 155 H 7.56 5.01 0.00 3.09 3.17 0.00 5.72 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 0.00 156 E 8.67 4.13 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 2.45 2.30 0.00