NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4598 8.3044 118.1948 55.1829 32.5604 174.4476 1 V 4.2601 7.9198 119.5223 60.8737 34.5336 173.3266 2 L 4.2909 8.3089 127.4173 54.0167 43.5215 176.9260 3 S 4.5139 8.7525 117.5230 57.6921 65.2582 175.1402 4 E 4.2746 8.8280 122.5140 59.4926 29.4721 178.9843 5 G 3.6528 8.1297 105.2727 47.8430 0.0000 175.3158 6 E 3.9001 8.2099 120.9264 58.9875 29.3834 179.4503 7 W 4.3976 8.1325 118.9268 60.0487 29.0580 178.6200 8 Q 4.1540 8.6778 118.2803 58.9609 27.9828 178.8420 9 L 4.0593 7.9913 119.8794 57.5621 41.6030 179.6778 10 V 3.7721 7.9642 118.3172 66.2285 31.5998 178.1976 11 L 4.2978 8.5190 118.7512 57.8038 41.2172 179.1879 12 H 4.1812 8.4648 116.3469 58.6788 28.9281 177.7883 13 V 3.8286 7.8745 121.2740 64.3906 31.4386 178.3202 14 W 3.9025 8.5453 128.8363 60.0294 30.2582 177.7949 15 A 4.0213 8.0054 120.2347 54.8825 18.0275 179.3994 16 K 3.9751 7.8230 117.2462 59.1924 32.1573 179.4579 17 V 2.7174 7.2400 118.0815 65.8611 30.9981 177.4096 18 E 4.0128 7.6580 115.1549 57.8313 29.3085 178.5170 19 A 4.1995 7.5975 121.1005 54.2329 20.0715 177.6802 20 D 4.6866 7.8587 115.3390 52.3193 43.3473 175.8409 21 V 3.5741 7.8361 123.8657 64.2172 31.7587 178.2114 22 A 4.0537 8.0224 121.0449 55.0567 18.2926 179.7256 23 G 3.5360 8.4253 104.1443 46.0253 0.0000 175.6871 24 H 4.1512 8.2025 118.2654 58.5449 28.6121 178.1382 25 G 3.4908 8.2553 107.6760 47.7449 0.0000 175.7991 26 Q 4.0145 8.0560 120.3874 58.9064 28.7402 178.6427 27 D 4.3905 7.9896 119.8545 57.3702 40.7688 178.9526 28 I 3.6054 7.8514 120.4602 64.5659 36.9914 178.1767 29 Y 3.6865 7.8893 117.6687 60.8573 37.6101 178.5114 30 I 3.7045 7.9332 120.9901 64.3721 37.1978 178.4647 31 R 3.8092 8.0288 119.5245 59.1516 29.8135 178.3082 32 L 3.9095 7.8936 120.2119 58.3883 41.8665 179.1026 33 F 4.5699 8.1471 117.7559 60.2612 38.5544 177.9677 34 K 4.0556 8.0531 117.8225 59.3591 32.0140 179.2448 35 S 4.2556 7.9941 114.6223 60.3713 64.3436 174.5341 36 H 4.7433 8.1685 118.3770 51.9540 29.2398 171.8741 37 P 4.5598 0.0000 0.0000 64.6123 31.3594 177.5977 38 E 4.3779 8.5051 117.5831 58.9940 29.4325 179.1634 39 T 3.7760 8.0298 110.8930 64.5286 68.7531 176.2594 40 L 3.7627 8.0238 122.6838 57.7562 41.9456 178.6186 41 E 4.1577 8.1512 118.2131 58.6530 29.1210 178.7829 42 K 4.5061 8.1167 117.3682 56.9925 32.6728 176.8660 43 F 4.5527 8.1427 119.0347 55.7517 38.3423 176.1892 44 D 4.4255 8.5546 126.8156 57.0687 40.8640 178.5345 45 R 3.9262 7.6663 116.4303 57.5083 30.4874 176.8249 46 F 4.9568 7.5075 114.1720 56.6530 40.5122 176.6403 47 K 4.0680 8.1271 120.4666 58.9581 32.4441 177.7130 48 H 4.4532 8.1005 114.2622 56.9970 29.1674 175.6891 49 L 4.0784 7.5526 121.5191 54.9720 41.7220 176.9768 50 K 4.3213 9.2846 123.2396 57.3930 33.4160 176.9585 51 T 4.7472 7.2994 107.6387 58.8425 73.2944 174.2284 52 E 3.9334 8.6639 120.9719 59.2142 29.6424 178.5237 53 A 3.9913 7.9721 120.4684 55.3242 18.2699 179.3307 54 E 3.9455 7.9312 115.8511 59.6910 29.6481 179.2235 55 M 4.1596 8.0797 118.8330 58.3894 31.8262 178.9969 56 K 3.9639 8.3051 117.6917 59.0311 32.3025 178.5375 57 A 4.4579 7.7184 118.6667 51.9070 19.0438 177.1882 58 S 4.2404 7.5328 113.7867 57.4881 62.4954 174.3742 59 E 4.0157 8.8430 129.6566 59.4016 29.4692 178.2403 60 D 4.4831 8.1564 118.7315 57.1708 40.9423 178.2737 61 L 3.1145 8.0138 121.0175 57.4658 41.9427 178.8255 62 K 3.8836 7.9881 119.6837 59.5991 32.1428 178.9031 63 K 4.0308 8.2633 118.7374 59.4504 31.8424 179.1269 64 Q 4.2234 8.3672 120.0678 59.2264 28.9977 178.5210 65 G 3.6935 8.5371 106.9779 47.8052 0.0000 175.8379 66 V 3.6153 7.9091 120.5859 65.6725 31.5748 178.0702 67 R 3.9373 8.0761 118.4970 59.4322 29.8867 178.5907 68 V 3.6588 8.1344 118.1303 66.2815 31.5741 178.1100 69 L 4.2296 8.1718 118.5652 57.9469 41.4243 179.6907 70 T 4.0741 8.2666 115.8936 66.3684 68.3904 176.7557 71 A 4.0042 8.2021 122.8390 55.0649 18.4113 179.4794 72 L 3.7086 8.3260 119.3986 58.0676 42.1056 179.3122 73 G 3.2578 8.5152 105.9263 47.6688 0.0000 175.5237 74 A 3.9761 7.8169 122.1324 54.7577 18.7673 179.5509 75 I 3.7596 7.5789 118.3718 64.6008 37.2097 178.6478 76 L 3.9797 7.9588 120.1506 57.7051 41.1628 179.7100 77 K 3.9400 7.7963 117.1447 58.6257 32.2584 178.9269 78 K 3.9108 7.8628 118.0097 56.3071 32.6648 176.5593 79 K 2.0000 8.1187 118.4351 56.3164 29.6908 175.6090 80 G 3.8917 7.6634 105.6005 45.6781 0.0000 173.3645 81 H 4.5753 7.2857 119.2085 55.3107 27.5562 174.8850 82 H 5.4971 7.2167 110.3259 54.4729 29.6520 176.5373 83 E 3.9325 8.5855 122.4952 60.2564 29.1036 178.3505 84 A 4.0236 7.9119 118.7927 55.3160 17.5849 179.0270 85 E 4.0976 8.1389 116.6098 59.4168 29.6180 179.2577 86 L 4.3091 8.2745 118.9199 56.9834 41.6706 179.3398 87 K 3.9308 7.8382 119.4247 59.1407 32.0111 177.4424 88 P 4.3214 0.0000 0.0000 65.6692 31.2717 178.1871 89 L 3.9943 7.5589 120.1201 57.9446 42.0119 178.7532 90 A 4.1881 8.4840 121.2261 55.2660 18.3135 179.4292 91 Q 3.9080 8.2803 118.3265 59.2851 29.1106 178.5945 92 S 4.0437 8.3567 115.5191 61.9196 63.1040 176.2223 93 H 4.2579 8.7402 119.7113 57.9186 28.2013 177.7355 94 A 2.7497 8.0213 122.3218 54.5410 18.4277 178.8969 95 T 3.9878 7.4142 111.9980 64.7537 69.5044 176.5120 96 K 3.9664 7.5665 120.3913 59.2483 32.5610 177.2639 97 H 4.4135 8.0133 113.9388 55.4522 29.7947 175.2653 98 K 3.3016 7.5304 117.2220 57.0760 28.4662 175.7747 99 I 4.3346 8.0773 119.0687 58.6091 38.2961 174.9375 100 P 4.6140 0.0000 0.0000 62.3997 31.9920 177.5188 101 I 3.7178 8.7287 121.0491 64.4154 36.8524 178.5992 102 K 3.8009 7.9468 120.0377 59.8651 31.9185 178.1934 103 Y 4.2299 7.9355 116.7295 60.7111 37.8181 178.0280 104 L 4.2205 7.9298 119.7864 57.6377 41.7068 179.1197 105 E 4.0326 8.2521 118.8261 59.4023 29.4099 179.3221 106 F 4.4965 7.9080 117.8718 60.8016 38.9204 177.6389 107 I 3.8652 8.2270 118.1764 63.9062 37.7595 178.1163 108 S 4.1745 8.3008 116.4412 61.5593 62.6002 176.1839 109 E 4.0293 8.6130 121.9074 59.2253 29.3668 178.7381 110 A 3.9866 8.1356 120.8874 55.0573 18.3621 179.6428 111 I 3.6276 8.0212 118.4711 64.7062 37.1698 178.7407 112 I 3.7820 7.9143 120.5488 64.6245 36.9237 178.0137 113 H 4.1206 8.5480 119.3129 59.3161 29.6279 177.5668 114 V 3.5669 7.9829 120.1025 65.9092 31.2814 178.0514 115 L 3.7228 7.9047 118.9707 57.7982 41.0439 178.8919 116 H 4.3556 8.0497 117.6217 59.2461 29.8443 177.0868 117 S 4.1452 7.7736 114.1534 61.4402 62.3908 175.9525 118 R 4.0389 7.9470 119.4749 57.6567 31.3070 176.6047 119 H 5.0484 8.1500 115.0425 53.9331 29.1278 173.1532 120 P 4.3674 0.0000 0.0000 65.4987 31.7565 178.6166 121 G 3.7601 8.1245 107.0270 47.8283 0.0000 173.7598 122 N 5.1114 8.4271 114.5223 52.7135 40.5667 174.4027 123 F 4.8854 8.0060 118.8898 56.5446 39.7150 174.4461 124 G 3.9167 7.7408 108.3431 43.7952 0.0000 172.2841 125 A 3.8925 8.4118 120.6420 55.4195 18.3222 179.7244 126 D 4.1771 7.9489 116.5411 57.3944 40.9063 178.7380 127 A 3.8869 7.7261 120.7786 55.0685 18.4185 179.2341 128 Q 2.9261 7.7259 118.4600 58.7987 28.9948 178.6705 129 G 3.5488 8.0391 106.5722 47.7727 0.0000 175.4666 130 A 3.8363 7.9282 123.3546 54.9459 18.3154 179.3827 131 M 3.9721 8.1886 116.8902 58.7635 32.2825 177.8460 132 N 4.2900 8.5657 117.6506 56.6331 39.0483 176.6868 133 K 3.8415 8.1451 120.7457 59.3908 32.2631 178.6293 134 A 3.8281 8.0034 121.1575 55.1930 18.2112 179.6869 135 L 4.1134 8.2517 117.7105 57.8434 41.5884 179.5936 136 E 3.9822 8.6368 119.2023 59.1614 29.2959 179.0437 137 L 3.9591 8.1903 120.5844 58.0509 42.0990 178.6479 138 F 4.1329 8.4002 120.5452 61.6647 39.2592 177.4203 139 R 3.4358 8.3341 117.7766 58.7158 29.7630 179.0378 140 K 3.8463 8.3284 119.9830 59.6488 32.2357 178.7467 141 D 4.3331 8.3440 119.5393 57.1887 40.6603 178.7945 142 I 3.3646 7.6326 120.5169 64.1628 36.9802 178.2804 143 A 3.7353 7.9750 121.6970 54.9655 18.1325 179.5595 144 A 3.9251 7.9062 119.3522 55.1893 18.4002 179.8387 145 K 3.9736 8.0821 118.2262 59.5577 32.1612 178.5198 146 Y 4.4293 8.4336 117.7310 61.2579 37.9522 178.7418 147 K 3.9632 8.2113 120.2745 59.6515 32.0803 178.6403 148 E 4.0332 8.0386 117.8336 59.2485 29.4874 178.6953 149 L 4.3123 7.9702 116.8979 55.3736 42.0231 177.8280 150 G 3.9788 8.0018 107.1951 45.0469 0.0000 172.4837 151 Y 4.7072 7.8246 121.4819 55.4274 40.0285 175.3186 152 Q 3.8419 8.4032 125.8628 58.1544 29.1531 176.5873 153 G 3.6733 6.2794 111.8123 45.0118 0.0000 172.8133 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 0 M 8.30 4.46 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 V 7.92 4.26 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 0.88 0.00 0.00 0.95 0.00 0.00 2 L 8.31 4.29 0.00 0.92 0.71 0.62 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.75 4.51 0.00 4.04 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.83 4.27 0.00 2.20 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 2.44 2.52 0.00 5 G 8.13 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 6 E 8.21 3.90 0.00 1.91 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 2.20 2.25 0.00 7 W 8.13 4.40 0.00 3.58 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 8 Q 8.68 4.15 0.00 2.26 2.25 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 2.68 2.62 0.00 9 L 7.99 4.06 0.00 1.86 1.73 0.87 0.57 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 10 V 7.96 3.77 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 1.19 0.00 0.00 0.93 0.00 0.00 11 L 8.52 4.30 0.00 1.84 1.78 0.95 1.35 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 12 H 8.46 4.18 0.00 3.30 3.46 0.00 5.85 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 13 V 7.87 3.83 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.89 0.00 0.00 14 W 8.55 3.90 0.00 3.65 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 15 A 8.01 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 16 K 7.82 3.98 0.00 1.47 1.64 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.49 7.81 17 V 7.24 2.72 0.95 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 0.04 0.00 0.00 0.20 0.00 0.00 18 E 7.66 4.01 0.00 2.05 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 2.30 2.26 0.00 19 A 7.60 4.20 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.86 4.69 0.00 2.72 2.51 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 21 V 7.84 3.57 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 0.74 0.00 0.00 0.87 0.00 0.00 22 A 8.02 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.43 3.54 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 0.00 0.00 0.00 24 H 8.20 4.15 0.00 3.24 3.18 0.00 5.82 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 25 G 8.26 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.06 4.01 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 27 D 7.99 4.39 0.00 2.76 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 28 I 7.85 3.61 1.77 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 1.43 0.56 0.68 0.00 0.00 29 Y 7.89 3.69 0.00 2.85 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.93 3.70 1.90 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 0.83 0.95 0.00 0.00 31 R 8.03 3.81 0.00 1.91 1.99 0.00 3.00 0.00 0.00 2.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 32 L 7.89 3.91 0.00 1.73 1.45 1.07 1.08 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 33 F 8.15 4.57 0.00 3.05 2.89 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 34 K 8.05 4.06 0.00 1.79 1.84 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.62 7.81 35 S 7.99 4.26 0.00 3.69 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 36 H 8.17 4.74 0.00 2.91 2.72 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.56 0.00 2.16 2.12 0.00 3.83 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 38 E 8.51 4.38 0.00 2.31 2.30 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 2.26 2.40 0.00 39 T 8.03 3.78 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 0.90 0.00 0.00 40 L 8.02 3.76 0.00 1.20 1.70 -0.19 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.15 4.16 0.00 2.25 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 2.36 2.40 0.00 42 K 8.12 4.51 0.00 1.87 1.73 0.00 1.91 0.00 0.00 1.78 0.00 0.00 3.19 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.77 1.97 7.81 43 F 8.14 4.55 0.00 3.37 3.21 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 0.00 0.00 0.00 0.00 44 D 8.55 4.43 0.00 2.62 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 45 R 7.67 3.93 0.00 0.80 1.20 0.00 2.97 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.45 0.00 46 F 7.51 4.96 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.13 4.07 0.00 1.88 2.24 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.40 7.81 48 H 8.10 4.45 0.00 3.29 3.44 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.55 4.08 0.00 1.51 1.56 0.85 0.64 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 50 K 9.28 4.32 0.00 1.80 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.51 7.81 51 T 7.30 4.75 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 1.20 0.00 0.00 52 E 8.66 3.93 0.00 2.05 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 2.37 2.37 0.00 53 A 7.97 3.99 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 E 7.93 3.95 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 2.34 2.34 0.00 55 M 8.08 4.16 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.59 0.00 56 K 8.31 3.96 0.00 1.90 1.86 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.44 7.81 57 A 7.72 4.46 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.53 4.24 0.00 3.91 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 59 E 8.84 4.02 0.00 2.14 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 2.40 2.49 0.00 60 D 8.16 4.48 0.00 3.06 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 61 L 8.01 3.11 0.00 0.95 1.48 -0.65 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.99 3.88 0.00 1.86 1.98 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 63 K 8.26 4.03 0.00 2.08 1.92 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.65 7.81 64 Q 8.37 4.22 0.00 2.48 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.68 2.79 0.00 65 G 8.54 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 66 V 7.91 3.62 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.99 0.00 0.00 67 R 8.08 3.94 0.00 2.04 2.22 0.00 3.23 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 68 V 8.13 3.66 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 1.06 0.00 0.00 1.22 0.00 0.00 69 L 8.17 4.23 0.00 1.78 1.86 0.84 0.73 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 70 T 8.27 4.07 4.34 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 1.26 0.00 0.00 71 A 8.20 4.00 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 72 L 8.33 3.71 0.00 1.55 1.59 0.22 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.52 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 0.00 0.00 0.00 74 A 7.82 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.58 3.76 1.85 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 1.17 0.90 0.00 0.00 76 L 7.96 3.98 0.00 1.34 1.58 -0.15 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.80 3.94 0.00 1.63 1.79 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.53 7.81 78 K 7.86 3.91 0.00 1.85 1.79 0.00 1.73 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.61 1.75 7.81 79 K 8.12 2.00 0.00 1.19 0.74 0.00 1.37 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.46 1.02 7.81 80 G 7.66 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 81 H 7.29 4.58 0.00 3.18 3.21 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.22 5.50 0.00 3.28 3.44 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.59 3.93 0.00 2.08 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 2.40 2.41 0.00 84 A 7.91 4.02 1.31 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 0.00 0.00 85 E 8.14 4.10 0.00 2.25 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 2.40 2.47 0.00 86 L 8.27 4.31 0.00 1.89 1.71 1.00 0.64 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 87 K 7.84 3.93 0.00 1.91 1.89 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.67 7.81 88 P 0.00 4.32 0.00 2.30 2.34 0.00 3.87 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.05 0.00 89 L 7.56 3.99 0.00 2.01 1.90 0.95 1.12 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 90 A 8.48 4.19 1.47 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 0.00 0.00 91 Q 8.28 3.91 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 92 S 8.36 4.04 0.00 4.02 4.13 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 93 H 8.74 4.26 0.00 3.61 3.65 0.00 5.80 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 94 A 8.02 2.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.41 3.99 4.21 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 0.00 0.00 0.00 1.11 0.00 0.00 96 K 7.57 3.97 0.00 1.55 1.62 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.23 1.35 7.81 97 H 8.01 4.41 0.00 3.01 3.15 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.53 3.30 0.00 1.81 1.76 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.17 1.27 7.81 99 I 8.08 4.33 2.12 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 1.54 0.97 1.18 0.00 0.00 100 P 0.00 4.61 0.00 1.94 1.98 0.00 3.22 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.52 0.00 101 I 8.73 3.72 1.90 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.80 0.83 0.00 0.00 102 K 7.95 3.80 0.00 1.67 1.64 0.00 1.71 0.00 0.00 1.94 0.00 0.00 3.26 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.72 1.26 7.81 103 Y 7.94 4.23 0.00 3.26 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 0.00 104 L 7.93 4.22 0.00 1.87 1.81 0.73 1.19 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 0.00 105 E 8.25 4.03 0.00 2.07 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 2.33 2.44 0.00 106 F 7.91 4.50 0.00 3.20 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 0.00 107 I 8.23 3.87 2.01 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 1.50 1.52 1.07 0.00 0.00 108 S 8.30 4.17 0.00 4.18 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 0.00 109 E 8.61 4.03 0.00 2.16 2.29 0.00 0.00 0.00 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 2.41 0.00 110 A 8.14 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 0.00 111 I 8.02 3.63 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 1.56 0.67 1.04 0.00 0.00 112 I 7.91 3.78 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.88 1.14 0.00 0.00 113 H 8.55 4.12 0.00 3.27 3.45 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.98 3.57 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 0.97 0.00 0.00 0.93 0.00 0.00 115 L 7.90 3.72 0.00 0.48 0.45 0.78 0.68 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 0.00 116 H 8.05 4.36 0.00 3.46 3.57 0.00 5.75 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.77 4.15 0.00 3.82 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 0.00 118 R 7.95 4.04 0.00 1.63 1.52 0.00 2.95 0.00 0.00 2.94 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 119 H 8.15 5.05 0.00 3.24 3.21 0.00 5.62 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 0.00 120 P 0.00 4.37 0.00 2.17 2.16 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 121 G 8.12 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 0.00 122 N 8.43 5.11 0.00 2.76 2.88 0.00 0.00 6.66 6.82 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 0.00 123 F 8.01 4.89 0.00 2.97 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 0.00 124 G 7.74 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 0.00 125 A 8.41 3.89 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 0.00 126 D 7.95 4.18 0.00 2.64 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.73 3.89 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.73 2.93 0.00 1.17 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 129 G 8.04 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 0.00 130 A 7.93 3.84 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 0.00 131 M 8.19 3.97 0.00 2.40 2.40 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.92 0.00 132 N 8.57 4.29 0.00 2.85 2.93 0.00 0.00 6.88 6.40 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 0.00 133 K 8.15 3.84 0.00 1.92 1.70 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.37 7.81 134 A 8.00 3.83 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 0.00 135 L 8.25 4.11 0.00 1.76 1.83 1.00 1.07 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 0.00 136 E 8.64 3.98 0.00 2.20 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 0.00 137 L 8.19 3.96 0.00 1.79 1.95 1.08 1.13 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 0.00 138 F 8.40 4.13 0.00 3.13 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 0.00 139 R 8.33 3.44 0.00 1.95 1.83 0.00 3.18 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.00 0.00 140 K 8.33 3.85 0.00 1.83 1.99 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.34 4.33 0.00 2.67 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 0.00 142 I 7.63 3.36 1.28 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.27 0.01 0.00 0.00 143 A 7.98 3.74 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.91 3.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 8.08 3.97 0.00 1.89 1.95 0.00 1.58 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.59 7.81 146 Y 8.43 4.43 0.00 3.21 3.19 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 0.00 0.00 0.00 147 K 8.21 3.96 0.00 1.87 1.99 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 8.04 4.03 0.00 2.20 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 2.54 0.00 149 L 7.97 4.31 0.00 1.85 1.73 1.01 0.93 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 0.00 150 G 8.00 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 0.00 151 Y 7.82 4.71 0.00 2.60 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 0.00 152 Q 8.40 3.84 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.33 0.00 0.00 0.00 0.00 0.00 1.81 2.10 0.00 153 G 6.28 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