NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4523 8.3044 118.1946 55.1149 32.5589 174.4543 1 V 4.2463 7.9686 120.1688 60.7224 34.4765 173.4394 2 L 4.2623 8.3024 127.4710 54.1195 43.4219 176.9791 3 S 4.5041 8.7329 117.3108 57.7208 65.2410 175.1018 4 E 4.2702 8.8606 122.7970 59.5370 29.4483 179.0530 5 G 3.6778 8.1559 105.2087 47.8964 0.0000 175.2872 6 E 3.8834 8.2910 121.0166 58.9883 29.4758 179.3890 7 W 4.4802 8.0941 118.9286 60.1268 29.0392 178.6203 8 Q 4.2478 8.6342 118.1711 58.9554 28.0025 178.7741 9 L 4.0339 7.9757 119.9168 57.6311 41.6097 179.7599 10 V 3.7816 7.9834 118.2300 66.2331 31.6190 178.2192 11 L 4.3056 8.6776 118.8813 57.8160 41.2032 179.1911 12 H 4.2912 8.5071 116.4072 58.6160 28.9569 177.7713 13 V 3.8268 7.8920 121.3429 64.4161 31.4050 178.3043 14 W 3.8892 8.5595 128.9018 60.0872 30.2666 177.6816 15 A 4.0481 8.0153 120.1651 55.0270 17.9837 179.4855 16 K 3.9649 7.8521 117.0902 59.3508 32.1928 179.3956 17 V 2.6988 7.3083 117.9919 65.9808 30.9102 177.3422 18 E 4.0380 7.6667 115.1280 57.7186 29.3962 178.4266 19 A 4.1698 7.4985 121.1199 54.4520 19.8292 177.6421 20 D 4.6750 7.8397 114.5556 52.3634 43.4087 175.9278 21 V 3.6511 7.7675 123.8280 64.3652 31.7941 178.1825 22 A 4.0451 8.0501 121.0211 55.0350 18.2491 179.7113 23 G 3.5743 8.3637 105.4487 47.7234 0.0000 175.6731 24 H 4.1406 8.2011 118.5269 58.4203 28.5852 178.1560 25 G 3.5523 8.3539 107.8594 47.7636 0.0000 175.7355 26 Q 3.8614 8.0375 120.4374 58.8343 28.7168 178.6790 27 D 4.2541 7.9001 119.7493 57.3723 40.7603 179.0692 28 I 3.6228 7.8093 120.2466 64.3974 37.0616 178.5591 29 L 3.3839 7.8964 120.0363 57.5064 41.2377 179.6594 30 I 3.5940 7.6997 119.9642 64.2466 36.9364 178.4137 31 R 3.7579 7.9795 119.6227 59.1621 29.8332 178.1818 32 L 3.8847 7.8132 120.1704 58.4496 41.9855 179.1598 33 F 4.5706 8.0574 117.7705 60.2745 38.5264 177.9754 34 K 4.0138 8.0839 117.8533 59.4696 32.0958 179.3017 35 S 4.2313 8.1110 114.5610 60.4118 64.2125 174.5776 36 H 4.7568 8.1659 118.1067 52.1139 29.4093 171.9574 37 P 4.6438 0.0000 0.0000 64.5639 31.4917 177.6761 38 E 4.1115 8.2869 116.4274 59.5887 29.4359 179.1679 39 T 3.7562 8.1866 111.0028 64.4444 68.6131 176.1838 40 L 3.5767 7.9236 122.7009 57.8708 41.7200 178.7146 41 E 4.1478 7.9762 117.2044 58.7326 29.4289 178.6678 42 K 4.4960 8.1929 117.1007 56.5306 32.6053 176.6853 43 W 4.5977 7.9884 120.0904 54.9531 29.0740 176.6034 44 D 4.4236 8.6937 126.8064 57.2446 40.6404 179.1165 45 R 4.0154 7.7988 116.4426 57.8258 29.7056 181.9800 46 F 5.1786 7.5982 112.6379 57.4064 40.7519 177.1083 47 K 4.0772 8.2971 120.2357 59.3765 32.2958 177.6177 48 H 4.5258 8.1482 113.6670 56.6122 29.2560 175.6259 49 L 4.0605 7.5400 121.5816 55.0173 41.6951 176.9546 50 K 4.3698 9.2426 123.1626 57.2719 33.6468 177.0797 51 T 4.7224 7.2850 107.6288 58.7739 73.2396 174.1556 52 E 3.8791 8.7045 121.6769 59.3622 29.7292 178.7754 53 A 3.9728 7.9619 120.2968 55.3204 18.2436 179.2957 54 E 3.9131 7.8645 115.7059 59.7520 29.7537 179.1837 55 M 4.0838 8.0306 118.6751 58.4329 31.8250 179.0657 56 K 3.9641 8.3070 117.4856 58.9349 32.2751 178.5496 57 A 4.4273 7.6495 118.7413 51.9682 19.1137 177.1252 58 S 4.3467 7.5126 113.3285 57.3053 62.5730 174.6333 59 E 4.0551 8.8397 128.8126 59.4422 29.1680 179.0052 60 D 4.5072 8.1682 118.7015 57.2903 40.9429 178.2724 61 L 3.4820 7.9900 120.8676 57.7646 41.9609 178.8460 62 K 3.8240 7.8874 119.3475 59.5461 32.1588 178.8550 63 K 4.0272 8.2093 118.6316 59.7317 31.9450 179.1575 64 D 4.7148 8.6568 119.4527 57.2301 40.7620 179.0471 65 G 3.5799 8.4303 106.7679 47.7280 0.0000 175.9858 66 V 3.6647 7.9104 120.6618 65.9997 31.5536 178.2772 67 T 3.9459 8.1394 115.5045 66.6769 68.2515 176.6866 68 I 3.8134 8.0776 121.6701 64.6473 37.2130 178.6584 69 L 4.3199 8.1941 119.6539 57.9274 41.4383 179.7796 70 T 4.0521 8.3184 115.9174 66.4182 68.3933 176.6709 71 A 3.9989 8.1193 122.7632 55.1047 18.4080 179.3870 72 L 3.6818 8.3373 119.3855 58.1265 42.0980 179.3371 73 G 3.2343 8.5392 105.8302 47.6843 0.0000 175.4964 74 A 3.9767 7.8436 122.1187 54.7375 18.6576 179.5239 75 I 3.7547 7.5892 118.3144 64.6086 37.2310 178.5882 76 L 3.9550 7.9025 120.0932 57.7853 41.1932 179.6947 77 K 3.9777 7.7728 116.7587 58.4237 32.2829 178.7924 78 K 3.9525 7.7837 118.2111 56.0581 32.4106 176.7064 79 K 2.0000 8.2394 118.1216 56.3401 29.8459 175.8480 80 G 3.9340 7.9022 106.3615 45.7051 0.0000 174.1587 81 H 4.5885 7.3522 119.2323 55.2959 27.4972 174.8540 82 H 5.3866 7.3289 110.7277 54.3488 29.6673 176.1672 83 E 3.9384 8.5904 122.2888 60.2646 29.0110 178.5868 84 A 4.0243 7.9204 118.5116 55.3107 18.1277 179.0107 85 E 4.1002 8.1379 116.6227 59.4800 29.6390 179.3530 86 L 4.3414 8.2683 119.0607 57.3111 41.6362 179.2186 87 K 3.9240 7.9045 119.1515 59.2157 32.0103 177.4524 88 P 4.3164 0.0000 0.0000 65.6550 31.2916 178.2224 89 L 3.9867 7.5632 120.4187 57.9965 42.0135 178.7412 90 A 4.2462 8.5266 121.1874 55.2503 18.3484 179.4189 91 Q 3.8476 8.2123 118.2779 59.3182 29.1075 178.6102 92 S 3.9932 8.2532 115.4317 61.8845 63.0688 176.1655 93 H 4.1213 8.5864 119.6339 57.9431 28.2352 177.7605 94 A 2.6494 7.8306 122.2816 54.5539 18.2712 178.9080 95 T 3.9520 7.3438 111.9400 64.3308 69.5653 176.0448 96 K 4.0744 7.3965 119.9233 58.6960 32.9085 177.2065 97 H 4.2507 7.8226 114.3019 56.1249 29.4517 175.5085 98 K 3.3859 7.4979 116.9178 57.1389 28.6629 176.3976 99 I 4.3225 8.0668 119.4775 58.8818 38.1041 175.1034 100 P 4.6015 0.0000 0.0000 62.2806 32.0775 177.3278 101 I 3.6180 8.4429 120.9729 64.6275 36.9160 178.5530 102 K 3.7973 7.9278 118.9457 60.3968 32.0507 178.5889 103 Y 4.2361 7.9211 117.6014 60.6667 37.8059 178.0353 104 L 4.1987 7.9205 119.6561 57.5809 41.6701 179.1738 105 E 4.0170 8.2696 118.9828 59.4068 29.4239 179.2574 106 F 4.7129 7.9493 117.8138 60.8961 38.9140 177.6468 107 I 3.8930 8.3154 118.2413 63.8920 37.7264 178.0883 108 S 4.2181 8.3229 116.3768 61.6185 62.6094 176.2648 109 E 4.0453 8.5978 121.1592 59.5743 29.2376 179.3759 110 A 4.0038 8.1492 120.5464 55.1467 18.3515 179.7321 111 I 3.6650 8.1140 118.4964 64.6574 37.1647 178.6831 112 I 3.7940 7.9961 120.6208 64.6690 36.9645 177.9577 113 H 4.1124 8.5480 119.2404 59.3238 29.6355 177.5378 114 V 3.5307 7.9721 120.0351 65.9504 31.3192 177.9647 115 L 3.7097 7.8882 118.9499 57.8644 41.0384 178.9355 116 H 4.3622 8.0204 117.4598 59.3368 29.8648 177.0496 117 S 4.1462 7.7288 113.9129 61.4709 62.3743 175.9650 118 R 4.0285 7.9799 119.6075 57.7666 31.1865 176.5645 119 H 5.0727 8.2069 115.1821 54.1044 29.2491 173.2329 120 P 4.3983 0.0000 0.0000 65.3920 31.7734 178.4680 121 G 3.7643 8.1101 107.1329 47.8328 0.0000 173.7879 122 N 5.1034 8.4028 114.0834 52.7016 40.7530 174.1871 123 F 4.8937 8.0263 119.1811 56.7479 39.8718 174.8683 124 G 3.8808 7.7565 108.2715 44.0949 0.0000 172.3087 125 A 3.8832 8.3869 120.6763 55.3267 18.4362 179.7030 126 D 4.1808 7.9679 116.6515 57.4780 40.8797 178.7956 127 A 3.8952 7.7261 120.7131 55.0970 18.3750 179.2785 128 Q 2.9778 7.7461 118.4175 58.7270 28.9509 178.6263 129 G 3.5349 8.1037 106.7227 47.7172 0.0000 175.4535 130 A 3.8303 7.8998 123.3941 54.9963 18.3164 179.4324 131 M 3.9955 8.2525 116.9765 58.6978 32.2879 177.7648 132 N 4.2933 8.5207 117.6775 56.6798 39.0598 176.6003 133 K 3.8184 8.1700 120.7114 59.4790 32.2446 178.5992 134 A 3.8372 8.0286 121.0795 55.1823 18.2138 179.6783 135 L 4.1273 8.3138 117.8534 57.7185 41.6196 179.2884 136 E 3.9370 8.6301 119.9058 59.0570 29.5004 178.5983 137 L 3.9527 8.1598 120.5070 58.0603 42.1167 178.5190 138 F 4.1582 8.4154 120.5545 61.6950 39.2384 177.4061 139 R 3.3802 8.2988 117.7462 58.7108 29.7914 179.0136 140 K 3.8146 8.2947 119.8893 59.6495 32.2368 178.7101 141 D 4.3281 8.2088 119.3032 57.3075 40.7159 178.7938 142 I 3.4415 7.5852 120.2935 64.2143 37.0169 178.3469 143 A 3.6882 7.8980 121.5590 54.9076 18.1313 179.5447 144 A 3.9435 7.9707 119.3359 55.2267 18.3926 180.0864 145 K 3.9873 7.9796 117.0612 59.6447 32.0376 178.9555 146 Y 4.3890 8.5446 117.5709 61.3829 37.9437 179.1606 147 K 4.1095 8.1411 118.9731 59.6450 31.9537 179.2452 148 E 4.0277 8.0054 117.6444 59.2576 29.4941 178.7466 149 L 4.3500 7.9315 116.5731 55.2107 41.9434 177.7111 150 G 3.9809 8.0224 107.4042 45.2032 0.0000 172.3138 151 Y 4.7897 7.8251 120.1212 55.1559 40.8366 175.5756 152 Q 3.8247 8.3971 128.4598 57.4959 29.5774 175.9374 153 G 3.8082 6.4103 109.8195 45.5463 0.0000 172.8109 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 4.45 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.10 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 7.97 4.25 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 0.90 0.00 0.00 0.95 0.00 0.00 2 L 8.30 4.26 0.00 0.89 0.65 0.59 -0.51 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 3 S 8.73 4.50 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 8.86 4.27 0.00 2.20 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 2.44 2.53 0.00 5 G 8.16 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 0.00 0.00 0.00 6 E 8.29 3.88 0.00 1.90 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 8.09 4.48 0.00 3.59 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 8 Q 8.63 4.25 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.69 2.62 0.00 9 L 7.98 4.03 0.00 1.88 1.73 0.91 0.67 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 10 V 7.98 3.78 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 1.20 0.00 0.00 0.93 0.00 0.00 11 L 8.68 4.31 0.00 1.84 1.80 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.51 4.29 0.00 3.27 3.43 0.00 5.65 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.89 3.83 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 1.15 0.00 0.00 0.92 0.00 0.00 14 W 8.56 3.89 0.00 3.68 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 15 A 8.02 4.05 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 16 K 7.85 3.96 0.00 1.49 1.62 0.00 1.69 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.49 7.81 17 V 7.31 2.70 1.01 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 0.09 0.00 0.00 0.17 0.00 0.00 18 E 7.67 4.04 0.00 2.07 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 2.31 2.30 0.00 19 A 7.50 4.17 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.84 4.67 0.00 2.72 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 3.65 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 0.84 0.00 0.00 0.89 0.00 0.00 22 A 8.05 4.05 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 23 G 8.36 3.57 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 0.00 0.00 0.00 24 H 8.20 4.14 0.00 3.26 3.20 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 8.35 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 26 Q 8.04 3.86 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.49 0.00 27 D 7.90 4.25 0.00 2.76 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 28 I 7.81 3.62 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.62 0.88 0.00 0.00 29 L 7.90 3.38 0.00 1.36 0.89 0.61 0.72 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 30 I 7.70 3.59 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.57 0.85 0.00 0.00 31 R 7.98 3.76 0.00 1.91 2.04 0.00 3.01 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 32 L 7.81 3.88 0.00 1.72 1.37 1.04 1.10 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 33 F 8.06 4.57 0.00 2.98 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 34 K 8.08 4.01 0.00 1.72 1.82 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.59 7.81 35 S 8.11 4.23 0.00 3.67 3.58 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 36 H 8.17 4.76 0.00 2.98 2.72 0.00 5.63 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 37 P 0.00 4.64 0.00 2.15 2.10 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 38 E 8.29 4.11 0.00 2.32 2.31 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 2.34 2.61 0.00 39 T 8.19 3.76 4.42 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 0.79 0.00 0.00 40 L 7.92 3.58 0.00 1.58 1.72 -0.32 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.98 4.15 0.00 2.24 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 2.40 2.40 0.00 42 K 8.19 4.50 0.00 2.09 1.85 0.00 2.00 0.00 0.00 1.80 0.00 0.00 3.20 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.81 2.04 7.81 43 W 7.99 4.60 0.00 3.41 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 44 D 8.69 4.42 0.00 2.64 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.80 4.02 0.00 1.83 1.84 0.00 3.21 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 46 F 7.60 5.18 0.00 2.92 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.30 4.08 0.00 1.90 2.22 0.00 1.63 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.44 7.81 48 H 8.15 4.53 0.00 3.31 3.47 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 7.54 4.06 0.00 1.49 1.54 0.75 0.71 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 50 K 9.24 4.37 0.00 1.68 1.83 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.51 7.81 51 T 7.29 4.72 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 1.19 0.00 0.00 52 E 8.70 3.88 0.00 2.02 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 2.34 2.34 0.00 53 A 7.96 3.97 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 54 E 7.86 3.91 0.00 2.11 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 2.33 2.33 0.00 55 M 8.03 4.08 0.00 2.00 2.21 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 2.70 2.51 0.00 56 K 8.31 3.96 0.00 1.79 1.83 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.51 7.81 57 A 7.65 4.43 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 58 S 7.51 4.35 0.00 3.92 3.78 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 0.00 0.00 0.00 59 E 8.84 4.06 0.00 2.06 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 2.42 2.36 0.00 60 D 8.17 4.51 0.00 3.07 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 61 L 7.99 3.48 0.00 0.92 1.51 0.60 0.40 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 7.89 3.82 0.00 1.86 1.98 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.21 4.03 0.00 2.13 1.93 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.67 7.81 64 D 8.66 4.71 0.00 2.99 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 65 G 8.43 3.58 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 0.00 0.00 0.00 66 V 7.91 3.66 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 1.06 0.00 0.00 1.00 0.00 0.00 67 T 8.14 3.95 4.55 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 1.32 0.00 0.00 68 I 8.08 3.81 2.13 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.14 1.03 0.00 0.00 69 L 8.19 4.32 0.00 1.79 1.91 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.32 4.05 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 1.27 0.00 0.00 71 A 8.12 4.00 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 72 L 8.34 3.68 0.00 1.64 1.77 0.19 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.54 3.23 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 0.00 0.00 0.00 0.00 74 A 7.84 3.98 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 75 I 7.59 3.75 1.84 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 1.53 0.74 0.88 0.00 0.00 76 L 7.90 3.96 0.00 1.32 1.57 -0.15 0.79 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 77 K 7.77 3.98 0.00 1.77 1.79 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.50 7.81 78 K 7.78 3.95 0.00 1.84 1.80 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.62 1.75 7.81 79 K 8.24 2.00 0.00 1.24 0.74 0.00 1.40 0.00 0.00 1.40 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.57 1.06 7.81 80 G 7.90 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 81 H 7.35 4.59 0.00 3.17 3.21 0.00 5.60 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 7.33 5.39 0.00 3.28 3.44 0.00 5.66 0.00 0.00 0.00 0.00 6.69 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 3.94 0.00 2.13 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 2.48 0.00 84 A 7.92 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 4.34 0.00 1.93 1.73 1.02 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.90 3.92 0.00 1.77 1.88 0.00 1.77 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 1.63 7.81 88 P 0.00 4.32 0.00 2.29 2.33 0.00 3.95 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 2.04 0.00 89 L 7.56 3.99 0.00 2.15 1.92 0.96 1.11 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 90 A 8.53 4.25 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 91 Q 8.21 3.85 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 92 S 8.25 3.99 0.00 3.96 4.09 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 0.00 0.00 0.00 93 H 8.59 4.12 0.00 3.57 3.60 0.00 5.81 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 7.83 2.65 0.64 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 0.00 0.00 95 T 7.34 3.95 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 1.08 0.00 0.00 96 K 7.40 4.07 0.00 1.51 1.57 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.19 1.32 7.81 97 H 7.82 4.25 0.00 2.97 3.07 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 7.50 3.39 0.00 1.83 1.76 0.00 1.43 0.00 0.00 1.47 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.29 7.81 99 I 8.07 4.32 2.11 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.91 1.20 0.00 0.00 100 P 0.00 4.60 0.00 1.94 1.98 0.00 3.25 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 0.69 1.28 0.00 101 I 8.44 3.62 1.77 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.66 0.77 0.00 0.00 102 K 7.93 3.80 0.00 1.59 1.91 0.00 1.61 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.28 1.38 7.81 103 Y 7.92 4.24 0.00 3.26 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 0.00 104 L 7.92 4.20 0.00 1.83 1.82 0.73 1.19 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 0.00 105 E 8.27 4.02 0.00 2.03 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 2.32 2.41 0.00 106 F 7.95 4.71 0.00 3.24 2.88 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 0.00 107 I 8.32 3.89 2.04 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 1.16 0.00 0.00 108 S 8.32 4.22 0.00 4.21 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 0.00 109 E 8.60 4.05 0.00 2.36 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 0.00 2.45 2.60 0.00 110 A 8.15 4.00 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 0.00 111 I 8.11 3.67 2.13 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 1.64 0.77 1.08 0.00 0.00 112 I 8.00 3.79 2.14 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 1.71 0.92 1.16 0.00 0.00 113 H 8.55 4.11 0.00 3.34 3.46 0.00 5.78 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 0.00 114 V 7.97 3.53 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 0.97 0.00 0.00 0.93 0.00 0.00 115 L 7.89 3.71 0.00 0.45 0.42 0.77 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.02 4.36 0.00 3.46 3.58 0.00 5.75 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 0.00 117 S 7.73 4.15 0.00 3.83 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 0.00 118 R 7.98 4.03 0.00 1.63 1.56 0.00 3.13 0.00 0.00 3.00 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 119 H 8.21 5.07 0.00 3.24 3.22 0.00 5.62 0.00 0.00 0.00 0.00 6.76 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 4.40 0.00 2.17 2.16 0.00 3.84 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 1.98 1.94 0.00 121 G 8.11 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 8.40 5.10 0.00 2.76 2.88 0.00 0.00 6.67 6.97 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 0.00 123 F 8.03 4.89 0.00 2.97 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 0.00 124 G 7.76 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 0.00 0.00 0.00 125 A 8.39 3.88 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 0.00 126 D 7.97 4.18 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.73 3.90 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 0.00 128 Q 7.75 2.98 0.00 1.21 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 129 G 8.10 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 0.00 0.00 0.00 130 A 7.90 3.83 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 0.00 131 M 8.25 4.00 0.00 2.42 2.42 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.95 0.00 132 N 8.52 4.29 0.00 2.87 2.95 0.00 0.00 6.87 6.31 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 0.00 133 K 8.17 3.82 0.00 1.88 1.75 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.37 7.81 134 A 8.03 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 0.00 135 L 8.31 4.13 0.00 1.78 1.85 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.63 3.94 0.00 2.10 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 0.00 2.30 2.31 0.00 137 L 8.16 3.95 0.00 1.91 1.96 1.03 0.98 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 8.42 4.16 0.00 3.15 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 0.00 139 R 8.30 3.38 0.00 1.93 1.81 0.00 3.16 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.99 0.00 140 K 8.29 3.81 0.00 1.82 1.93 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.21 4.33 0.00 2.76 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 0.00 142 I 7.59 3.44 1.24 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.36 0.18 0.00 0.00 143 A 7.90 3.69 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 0.00 144 A 7.97 3.94 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 0.00 145 K 7.98 3.99 0.00 2.05 1.94 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.66 7.81 146 Y 8.54 4.39 0.00 3.11 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.14 4.11 0.00 2.02 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.61 7.81 148 E 8.01 4.03 0.00 2.16 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 2.36 2.51 0.00 149 L 7.93 4.35 0.00 1.80 1.69 1.00 0.86 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 0.00 150 G 8.02 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 7.83 4.79 0.00 2.57 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 0.00 152 Q 8.40 3.82 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.43 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 153 G 6.41 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