NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4449 8.3044 118.1947 55.1107 32.5548 174.2659 1 V 4.2330 7.9259 118.5964 60.6589 34.2715 173.6029 2 L 4.3042 8.3217 127.5431 53.9133 43.6312 176.9223 3 S 4.5047 8.6786 117.5033 57.7398 65.2806 175.1499 4 E 4.2814 8.8248 122.6292 59.5572 29.4891 179.1165 5 G 3.6758 8.0970 105.3094 47.6390 0.0000 175.4291 6 E 3.8923 7.9154 120.9457 59.1702 29.4247 179.4834 7 W 4.3544 8.0555 118.8811 59.9079 29.0467 178.6142 8 Q 4.1258 8.7475 118.5407 58.9328 27.9958 178.8043 9 L 4.0552 7.9257 119.6776 57.7046 41.6678 179.7531 10 V 3.7469 7.8433 118.0256 66.2664 31.6074 178.1814 11 L 4.2927 8.5262 118.7148 57.4773 40.9530 179.0342 12 H 4.2105 8.5635 119.1001 59.3158 29.8934 177.7360 13 V 3.4324 7.8033 121.1541 64.3992 31.3362 178.0824 14 W 3.9737 8.5949 128.9053 60.1762 30.2719 177.7752 15 A 4.0183 7.9623 120.1049 54.8688 18.0232 179.4978 16 K 3.9559 7.3499 116.9695 59.3482 32.1154 179.4042 17 V 2.8530 7.1352 118.5068 66.0239 30.9964 177.7692 18 E 3.8396 7.5550 115.5579 58.1632 29.3127 178.5105 19 A 4.2033 7.4731 120.3047 53.5754 20.1332 177.5721 20 D 4.6612 7.9694 116.8309 52.0652 42.4552 175.5754 21 V 3.4580 7.8425 123.0796 65.6225 32.1400 176.7391 22 A 4.0518 8.0032 120.2187 55.0275 18.2760 179.7190 23 G 3.8056 8.2630 105.4862 47.8679 0.0000 175.7573 24 H 4.1806 8.2193 119.2524 58.2986 28.6654 178.1940 25 G 3.5476 8.3581 107.9302 47.6374 0.0000 175.5107 26 Q 3.8244 8.0383 121.9313 59.1037 29.1108 178.0402 27 D 4.3022 8.0031 119.7780 57.4788 40.7855 179.0750 28 I 3.6570 7.8400 120.1894 64.4046 37.1235 178.5852 29 L 3.4725 7.6672 119.8015 57.4845 41.2448 179.6848 30 I 3.6553 7.6631 119.9133 64.2220 37.0466 178.3841 31 R 3.7887 7.9825 119.6619 59.1490 29.7814 178.3045 32 L 3.8900 7.7946 120.1573 58.3362 41.9859 179.1113 33 F 4.5368 7.8284 117.6826 60.3983 38.5471 178.0101 34 K 4.0093 8.2582 117.9827 59.6441 31.9610 179.3351 35 S 4.2642 7.8679 114.2275 60.4147 64.2351 174.6069 36 H 4.7584 8.2265 118.3037 52.0643 29.5775 171.8639 37 P 4.6031 0.0000 0.0000 64.6005 31.3666 177.6465 38 E 4.1181 8.1997 116.3145 59.4055 29.6439 179.0676 39 T 3.8853 8.1576 110.8367 64.2537 68.7999 176.2564 40 L 3.7730 8.0037 123.2686 57.9932 41.7293 178.6188 41 E 4.0665 7.8996 117.8690 59.1666 29.4396 178.9197 42 K 4.4298 8.1272 116.6035 57.0452 32.8443 177.6088 43 F 4.5703 8.1167 119.1745 55.5030 39.2338 175.5592 44 D 4.4196 8.4898 124.2847 57.1696 40.7916 178.2152 45 R 3.8393 7.7631 118.1326 58.2224 30.3784 176.6854 46 F 5.0449 7.7734 114.7982 56.6849 40.7716 176.7840 47 K 3.8396 8.3658 121.7672 59.5207 31.8481 176.9316 48 H 4.5167 8.1317 112.1384 56.7589 29.1912 175.4947 49 L 4.1643 7.5490 121.5457 54.7654 41.8004 176.8368 50 K 4.3596 9.4151 123.1770 57.2278 33.6436 177.0693 51 T 4.7356 7.3047 107.4905 58.8073 73.1745 174.1333 52 E 3.8780 8.7211 121.4131 59.4979 29.5113 178.8086 53 A 3.9795 7.9402 120.2398 55.2594 18.2634 179.3395 54 E 3.9428 8.0129 116.1071 59.6788 29.7010 179.0810 55 M 4.1454 8.1761 118.8217 58.4559 31.8236 179.0094 56 K 3.9595 8.2388 117.5025 59.0194 32.2665 178.5744 57 A 4.3921 7.4962 118.8399 52.1248 19.2015 177.2464 58 S 4.2267 7.3625 113.6448 57.6235 62.7880 174.4721 59 E 3.9892 8.9016 129.1192 59.3350 29.4496 178.0974 60 D 4.4126 8.0974 117.8530 57.2068 41.3971 177.8085 61 L 3.4485 8.0656 120.9866 57.7396 42.0789 178.8608 62 K 3.8900 7.9549 119.4036 59.3962 32.1759 178.9443 63 K 4.0184 8.3877 119.0967 59.8154 31.9017 178.8512 64 H 4.4273 8.6658 118.7026 59.0038 29.8072 177.3175 65 G 3.6823 8.2900 107.8852 47.9948 0.0000 175.7741 66 V 3.6335 7.6857 120.0239 65.8956 31.5588 178.2323 67 T 3.8734 7.8674 115.4523 66.5769 68.3408 176.6967 68 V 3.6025 7.9131 120.1572 66.2466 31.6177 178.1939 69 L 4.2782 8.0888 118.5328 57.9220 41.4243 179.7080 70 T 3.9962 8.2909 115.9340 66.4977 68.4989 176.6143 71 A 4.0011 8.1197 122.7686 55.0651 18.3464 179.4823 72 L 3.7676 8.1227 119.0464 58.0648 42.1490 179.2403 73 G 3.4907 8.6735 105.9531 47.8253 0.0000 175.4536 74 A 4.0048 7.7205 122.0044 54.8246 18.6661 179.5910 75 I 3.7744 7.5518 117.9798 64.5899 37.2440 178.6448 76 L 3.9422 7.8602 120.0989 57.7200 41.1803 179.6486 77 K 3.9707 7.7533 116.8119 58.4191 32.2769 178.7685 78 K 3.9618 7.8444 118.3717 56.1765 32.3860 176.6961 79 K 2.0000 8.2882 118.2207 56.4929 29.8802 175.7809 80 G 3.9987 7.9872 106.0810 45.7806 0.0000 174.1879 81 H 4.6438 7.3950 119.3062 55.2322 27.4458 174.8327 82 H 5.2000 7.2834 111.1521 54.2270 29.6187 176.2908 83 E 4.0054 8.4732 121.9468 60.1406 28.9658 179.0004 84 A 4.0400 7.9067 119.0864 55.1505 18.9057 179.0412 85 E 4.0724 8.1697 116.7417 59.4320 29.5020 179.0496 86 L 4.0425 8.1276 120.2678 57.3832 42.1143 178.9752 87 K 3.9639 7.8002 118.9603 59.0649 32.0554 177.4730 88 P 4.3066 0.0000 0.0000 65.5767 31.3120 178.1674 89 L 4.0129 7.5266 117.6413 57.9330 42.0441 178.7448 90 A 4.2039 8.3361 121.0268 55.2880 18.3200 179.3593 91 Q 3.8964 8.3015 118.3142 59.3864 29.0726 178.7000 92 S 4.0076 8.3038 115.3812 61.7846 63.0334 176.0279 93 H 4.2091 8.6478 119.1557 57.5510 28.2648 177.5904 94 A 2.7828 7.6835 122.1998 54.6171 18.6838 179.0779 95 T 3.8840 7.4427 112.2747 65.0623 69.0297 176.2944 96 K 4.0433 7.4605 120.1241 58.7982 32.7617 177.1765 97 H 4.3538 7.9579 113.9938 55.7729 29.6058 175.5036 98 K 3.2558 7.4807 117.5129 57.0184 28.8487 175.4158 99 V 4.1868 8.0804 117.4654 60.2460 32.3320 173.7396 100 P 4.5331 0.0000 0.0000 62.2744 32.2590 177.3054 101 I 3.6135 8.1693 120.8236 64.6896 36.9262 178.4819 102 K 3.6208 7.9776 119.6877 59.8935 31.8503 178.1054 103 Y 4.1764 7.9705 116.5895 60.5990 37.7841 177.9812 104 L 4.2352 7.8565 119.8101 57.5558 41.8022 179.0405 105 E 4.0247 8.1819 118.8288 59.3575 29.4133 179.2587 106 F 4.5424 7.8893 117.8589 60.8642 39.0087 177.6268 107 I 3.9065 8.1773 117.9829 63.7260 37.7540 178.0651 108 S 4.1954 8.2159 116.5286 61.5867 62.6979 176.0591 109 E 4.0103 8.4488 121.6605 59.3889 29.3741 178.7330 110 A 4.0238 8.0839 120.6257 55.1325 18.3759 179.6906 111 I 3.6710 7.9581 118.2586 64.6885 37.1656 178.6948 112 I 3.8007 7.9233 120.5956 64.5930 36.9489 177.9771 113 H 4.1234 8.4429 119.0518 59.3508 29.6667 177.5555 114 V 3.5500 7.8461 119.9976 65.9494 31.3078 177.9814 115 L 3.7892 7.8914 118.8574 57.9244 41.0807 178.9699 116 H 4.3194 8.0216 117.4312 59.3525 29.8576 177.2892 117 S 4.1744 7.8804 116.2134 61.4728 62.7855 176.3053 118 R 4.1279 7.9298 119.1441 57.2864 31.0994 176.3774 119 H 5.0382 8.2437 116.0773 54.0483 29.6570 173.3780 120 P 4.3208 0.0000 0.0000 65.8623 31.5430 178.9641 121 G 3.6536 8.1206 106.3609 47.3698 0.0000 173.6686 122 N 5.0449 8.2282 115.5705 52.9644 39.4321 174.7042 123 F 4.9084 7.9236 119.7018 56.4719 39.6806 174.5970 124 G 3.9000 7.7718 108.4056 43.9825 0.0000 172.3261 125 A 3.8854 8.3954 120.5964 55.3533 18.3437 179.7197 126 D 4.1773 7.9508 116.6387 57.4198 40.9513 178.7075 127 A 3.9335 7.7534 120.8310 55.0080 18.3223 179.3107 128 Q 3.1221 7.8009 118.4945 58.8916 29.0659 178.6482 129 G 3.5097 8.1388 106.7559 47.7308 0.0000 175.5493 130 A 3.8800 7.9501 123.1974 54.9798 18.3495 179.4561 131 M 4.0110 8.2079 116.8830 58.6942 32.2799 177.8748 132 N 4.2993 8.4791 117.6373 56.6054 39.0527 176.6808 133 K 3.8235 8.1016 120.7064 59.4332 32.2786 178.5941 134 A 3.8138 7.8766 120.9779 55.1990 18.2342 179.6463 135 L 4.1290 8.1799 117.4781 57.5991 41.6001 179.2905 136 E 3.9430 8.5522 119.9564 58.9642 29.5049 178.5717 137 L 3.9397 8.1768 120.6064 58.0434 42.2115 178.4868 138 F 4.1445 8.3012 120.5568 61.6926 39.2148 177.3847 139 R 3.5134 8.2389 117.5297 58.8716 29.8071 179.0311 140 K 3.8475 8.2809 119.7952 59.6478 32.3004 178.7122 141 D 4.3545 8.2319 119.2692 57.2288 40.6414 178.8526 142 I 3.4807 7.5254 120.2785 63.9961 37.0299 178.2773 143 A 3.6580 7.9943 121.8278 55.0057 18.2969 179.5777 144 A 3.9684 7.9002 119.2846 55.2101 18.4286 180.0783 145 K 4.0351 8.0257 116.9588 59.5746 32.0961 179.0137 146 Y 4.3999 8.3978 117.5035 61.3142 37.8810 179.1066 147 K 4.0431 8.1399 118.9685 59.6021 31.9625 179.3007 148 E 4.0382 7.9509 117.3860 59.2242 29.4786 178.7856 149 L 4.3278 7.8297 116.8620 55.3373 41.9761 177.8171 150 G 3.9868 7.8595 106.9274 45.5276 0.0000 173.3816 151 Y 4.4232 8.4117 120.5857 59.3280 39.4961 177.6688 152 Q 3.5861 8.1221 113.7282 56.2933 27.5732 173.9412 153 G 3.1745 6.4088 112.3920 45.3906 0.0000 173.7671 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 4.44 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 1 V 7.93 4.23 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.32 4.30 0.00 0.96 0.70 0.60 -0.36 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 3 S 8.68 4.50 0.00 4.05 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 8.82 4.28 0.00 2.19 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 2.43 2.52 0.00 5 G 8.10 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 7.92 3.89 0.00 1.88 1.69 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 2.20 2.26 0.00 7 W 8.06 4.35 0.00 3.58 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.75 4.13 0.00 2.24 2.21 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 2.64 2.60 0.00 9 L 7.93 4.06 0.00 1.88 1.74 0.89 0.58 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 10 V 7.84 3.75 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.94 0.00 0.00 11 L 8.53 4.29 0.00 1.84 1.81 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.56 4.21 0.00 3.40 3.56 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.80 3.43 2.44 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 1.05 0.00 0.00 0.86 0.00 0.00 14 W 8.59 3.97 0.00 3.65 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.96 4.02 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 7.35 3.96 0.00 1.39 1.75 0.00 1.67 0.00 0.00 1.50 0.00 0.00 2.73 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.48 7.81 17 V 7.14 2.85 1.02 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 -0.11 0.00 0.00 0.43 0.00 0.00 18 E 7.56 3.84 0.00 2.00 1.91 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 2.20 2.05 0.00 19 A 7.47 4.20 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 20 D 7.97 4.66 0.00 2.69 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 3.46 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 1.05 0.00 0.00 0.83 0.00 0.00 22 A 8.00 4.05 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 23 G 8.26 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 24 H 8.22 4.18 0.00 3.10 3.24 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 8.36 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 3.82 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 27 D 8.00 4.30 0.00 2.79 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 7.84 3.66 1.88 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 1.51 0.60 0.88 0.00 0.00 29 L 7.67 3.47 0.00 1.40 1.04 0.77 0.68 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 30 I 7.66 3.66 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.71 0.88 0.00 0.00 31 R 7.98 3.79 0.00 1.92 2.07 0.00 3.00 0.00 0.00 2.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 32 L 7.79 3.89 0.00 1.72 1.37 1.05 0.84 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 33 F 7.83 4.54 0.00 3.02 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 34 K 8.26 4.01 0.00 1.79 1.83 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 35 S 7.87 4.26 0.00 3.80 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 36 H 8.23 4.76 0.00 2.90 2.75 0.00 5.63 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 4.60 0.00 2.15 2.11 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 38 E 8.20 4.12 0.00 2.29 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 2.29 2.53 0.00 39 T 8.16 3.89 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 0.75 0.00 0.00 40 L 8.00 3.77 0.00 1.58 1.74 -0.07 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.90 4.07 0.00 2.34 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 2.39 2.41 0.00 42 K 8.13 4.43 0.00 1.94 1.69 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.75 1.95 7.81 43 F 8.12 4.57 0.00 3.29 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 44 D 8.49 4.42 0.00 2.59 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 7.76 3.84 0.00 1.37 0.68 0.00 3.02 0.00 0.00 2.85 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.45 0.00 46 F 7.77 5.04 0.00 2.96 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 8.37 3.84 0.00 1.74 1.90 0.00 2.01 0.00 0.00 1.97 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.49 7.81 48 H 8.13 4.52 0.00 3.32 3.41 0.00 5.58 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 4.16 0.00 1.55 1.57 0.86 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.42 4.36 0.00 1.67 1.84 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.48 7.81 51 T 7.30 4.74 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 8.72 3.88 0.00 2.04 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 2.36 2.37 0.00 53 A 7.94 3.98 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 54 E 8.01 3.94 0.00 2.09 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 8.18 4.15 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.54 0.00 56 K 8.24 3.96 0.00 1.82 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.62 7.81 57 A 7.50 4.39 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 58 S 7.36 4.23 0.00 3.84 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 59 E 8.90 3.99 0.00 2.15 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 2.39 2.44 0.00 60 D 8.10 4.41 0.00 2.99 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 61 L 8.07 3.45 0.00 1.26 1.58 0.71 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.95 3.89 0.00 1.87 1.96 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 K 8.39 4.02 0.00 2.04 1.91 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.62 7.81 64 H 8.67 4.43 0.00 3.58 3.57 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 65 G 8.29 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 66 V 7.69 3.63 2.26 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 1.12 0.00 0.00 0.96 0.00 0.00 67 T 7.87 3.87 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 68 V 7.91 3.60 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 1.09 0.00 0.00 0.98 0.00 0.00 69 L 8.09 4.28 0.00 1.79 1.81 0.88 0.70 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 70 T 8.29 4.00 4.32 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 1.26 0.00 0.00 71 A 8.12 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 8.12 3.77 0.00 1.64 1.66 0.26 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.67 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 74 A 7.72 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 75 I 7.55 3.77 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.65 0.90 0.00 0.00 76 L 7.86 3.94 0.00 1.16 1.52 -0.19 0.85 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 77 K 7.75 3.97 0.00 1.65 1.80 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.54 7.81 78 K 7.84 3.96 0.00 1.84 1.79 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.60 1.74 7.81 79 K 8.29 2.00 0.00 1.28 0.74 0.00 1.46 0.00 0.00 1.44 0.00 0.00 2.75 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.42 0.92 7.81 80 G 7.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.40 4.64 0.00 3.18 3.23 0.00 5.79 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 82 H 7.28 5.20 0.00 3.28 3.45 0.00 5.65 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 83 E 8.47 4.01 0.00 2.10 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 2.42 2.47 0.00 84 A 7.91 4.04 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 8.17 4.07 0.00 2.27 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 2.41 2.44 0.00 86 L 8.13 4.04 0.00 2.01 1.67 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.80 3.96 0.00 1.85 1.87 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.65 7.81 88 P 0.00 4.31 0.00 2.30 2.33 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 89 L 7.53 4.01 0.00 1.85 1.94 1.05 0.98 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 90 A 8.34 4.20 1.48 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 0.00 0.00 91 Q 8.30 3.90 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 92 S 8.30 4.01 0.00 3.99 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.65 4.21 0.00 3.60 3.64 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 7.68 2.78 0.73 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 95 T 7.44 3.88 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 1.10 0.00 0.00 96 K 7.46 4.04 0.00 1.53 1.62 0.00 1.68 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.21 1.34 7.81 97 H 7.96 4.35 0.00 3.02 3.15 0.00 5.86 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 98 K 7.48 3.26 0.00 1.76 1.76 0.00 1.55 0.00 0.00 1.54 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.32 7.81 99 V 8.08 4.19 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 1.04 0.00 0.00 1.07 0.00 0.00 100 P 0.00 4.53 0.00 2.00 1.96 0.00 3.34 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.37 0.00 101 I 8.17 3.61 1.79 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.99 0.81 0.00 0.00 102 K 7.98 3.62 0.00 1.71 1.63 0.00 1.60 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 0.82 7.81 103 Y 7.97 4.18 0.00 3.22 3.05 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 0.00 104 L 7.86 4.24 0.00 1.84 1.80 0.75 1.17 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 0.00 105 E 8.18 4.02 0.00 2.04 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 2.32 2.46 0.00 106 F 7.89 4.54 0.00 3.17 2.87 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 0.00 107 I 8.18 3.91 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.38 1.08 0.00 0.00 108 S 8.22 4.20 0.00 4.20 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 8.45 4.01 0.00 2.18 2.34 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 2.37 2.42 0.00 110 A 8.08 4.02 1.42 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 0.00 0.00 111 I 7.96 3.67 2.09 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 1.60 0.72 1.03 0.00 0.00 112 I 7.92 3.80 2.11 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 1.69 0.88 1.13 0.00 0.00 113 H 8.44 4.12 0.00 3.27 3.47 0.00 5.78 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 0.00 114 V 7.85 3.55 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 0.99 0.00 0.00 0.99 0.00 0.00 115 L 7.89 3.79 0.00 0.62 0.65 0.83 0.68 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 0.00 116 H 8.02 4.32 0.00 3.44 3.62 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.88 4.17 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 0.00 118 R 7.93 4.13 0.00 1.64 1.63 0.00 3.09 0.00 0.00 2.98 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 119 H 8.24 5.04 0.00 3.22 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.74 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 4.32 0.00 2.20 2.26 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 121 G 8.12 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 0.00 122 N 8.23 5.04 0.00 2.81 2.93 0.00 0.00 6.65 7.41 0.00 0.00 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 7.92 4.91 0.00 2.95 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.77 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 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 2.65 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 7.75 3.93 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 0.00 128 Q 7.80 3.12 0.00 1.27 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 129 G 8.14 3.51 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 0.00 0.00 0.00 130 A 7.95 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 0.00 131 M 8.21 4.01 0.00 2.41 2.37 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.90 0.00 132 N 8.48 4.30 0.00 2.92 2.93 0.00 0.00 6.86 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 0.00 133 K 8.10 3.82 0.00 1.91 1.69 0.00 1.53 0.00 0.00 1.53 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.38 7.81 134 A 7.88 3.81 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 0.00 135 L 8.18 4.13 0.00 1.76 1.82 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.55 3.94 0.00 2.13 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 2.30 2.31 0.00 137 L 8.18 3.94 0.00 1.88 1.94 1.03 1.06 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 0.00 138 F 8.30 4.14 0.00 3.11 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 0.00 139 R 8.24 3.51 0.00 1.98 1.85 0.00 3.17 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.98 0.00 140 K 8.28 3.85 0.00 1.81 2.01 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.45 7.81 141 D 8.23 4.35 0.00 2.76 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 7.53 3.48 1.20 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 0.87 -0.26 0.11 0.00 0.00 143 A 7.99 3.66 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 7.90 3.97 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 0.00 145 K 8.03 4.04 0.00 1.98 1.93 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.21 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.62 7.81 146 Y 8.40 4.40 0.00 3.18 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 0.00 147 K 8.14 4.04 0.00 2.08 1.87 0.00 1.49 0.00 0.00 2.02 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.53 7.81 148 E 7.95 4.04 0.00 2.19 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 2.54 0.00 149 L 7.83 4.33 0.00 1.79 1.70 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.86 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 0.00 151 Y 8.41 4.42 0.00 2.70 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 0.00 152 Q 8.12 3.59 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 153 G 6.41 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 0.00 0.00 0.00