NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1355 8.0549 114.0562 61.0929 33.0328 174.9435 2 L 4.0763 8.1503 123.2915 52.1026 42.5664 175.9382 3 S 4.5056 9.3215 117.8633 57.6817 66.2020 174.8095 4 E 4.2300 8.8336 122.1701 59.5249 29.4329 178.8224 5 G 3.6890 8.1517 105.2198 48.0182 0.0000 175.3376 6 E 3.9910 8.0454 120.5463 58.8196 29.4593 179.3978 7 W 4.2598 8.4162 119.5207 59.7136 29.0495 178.3265 8 Q 4.1161 8.5175 119.7567 59.2233 28.3628 178.3070 9 L 4.1050 7.9560 119.7105 57.6240 41.6091 179.7419 10 V 3.7377 7.8673 118.0546 66.0606 31.6079 177.9445 11 L 4.3926 8.2343 118.1182 57.0440 41.6284 178.8614 12 H 4.2195 8.3897 119.1588 59.2770 29.8885 177.6959 13 V 3.6401 7.8261 121.0189 64.4279 31.2876 178.1058 14 W 3.9177 8.5638 128.9160 60.1431 30.2897 177.7217 15 A 3.9966 8.0539 120.0254 54.9065 17.9540 179.3811 16 K 3.8582 7.4247 116.3489 59.8030 32.1866 179.3646 17 V 2.8084 7.0239 118.1087 65.9674 30.9190 177.3274 18 E 3.9667 7.5497 115.2155 57.5755 29.3770 178.3235 19 A 4.1988 7.7471 121.2684 53.8612 19.9219 177.6834 20 D 4.6622 7.7670 116.5436 52.1232 42.4342 175.5555 21 V 3.5202 7.8262 123.0174 65.7205 32.1191 176.8412 22 A 4.0642 7.9623 120.2284 54.9414 18.3156 179.6964 23 G 3.5717 8.3613 105.7003 47.6680 0.0000 175.7277 24 H 4.1855 8.1587 118.4210 58.5401 28.7150 178.1902 25 G 3.5676 8.3440 107.8979 47.7022 0.0000 175.6422 26 Q 3.8412 8.0736 121.9193 59.0121 29.0485 177.7807 27 D 4.2761 7.9851 119.9267 57.3746 40.7151 179.0674 28 I 3.6303 7.7169 120.0713 64.4251 37.1181 178.4560 29 L 3.4007 7.6418 119.7272 57.5839 41.2393 179.7573 30 I 3.5774 7.6485 119.7810 64.2715 37.0218 178.3557 31 R 3.7884 8.0247 119.7375 59.2637 29.8106 178.2448 32 L 3.9245 7.9043 120.2623 58.3476 41.7348 179.0940 33 F 4.5998 8.0333 117.9179 60.4745 38.5798 177.9835 34 K 4.0400 8.2885 117.9655 59.4070 31.9644 179.2397 35 S 4.3588 8.0334 114.5471 60.0181 64.1058 174.3221 36 H 4.6130 8.1334 118.4371 51.9135 29.5586 171.7511 37 P 4.4970 0.0000 0.0000 64.5882 30.9304 177.4424 38 E 4.1115 8.2992 116.2212 59.5567 29.2640 179.2486 39 T 3.9808 8.2910 111.4317 64.6139 68.8314 176.3121 40 L 3.5784 8.0019 122.7565 57.7318 41.7964 178.4640 41 E 4.0602 7.7903 117.1350 58.6603 29.5854 178.5232 42 K 4.3951 8.0379 117.5937 57.6336 32.5804 176.7536 43 F 4.5383 8.3086 118.7047 55.6447 38.2899 176.0556 44 D 4.4254 8.5928 127.0305 57.0008 40.7838 178.3839 45 R 4.0584 7.7024 113.1319 57.1298 30.0978 176.6221 46 F 5.0950 7.7211 116.0203 56.9566 40.7124 176.9996 47 K 3.9061 8.2835 120.0666 59.4133 31.8990 177.5323 48 H 4.4399 8.1005 112.3618 56.8418 29.0419 175.2878 49 L 4.2079 7.6095 121.7002 54.2978 41.9916 176.6046 50 K 4.4171 9.6430 122.9513 56.4464 34.5042 176.5885 51 T 4.6873 7.5489 107.6591 59.1129 72.9073 174.4357 52 E 3.8876 8.5512 120.7682 59.2401 29.4076 178.4554 53 A 3.9651 7.8832 119.5775 55.1999 18.6912 178.8957 54 E 4.0589 8.2670 117.0357 59.8061 29.3930 179.5354 55 M 4.0065 8.1896 118.6834 58.4437 31.8439 179.0255 56 K 3.9107 8.1922 117.3144 58.9938 32.2353 178.5576 57 A 4.4208 7.4634 119.2920 52.2468 19.0167 177.2773 58 S 4.1898 7.4231 113.7962 58.0224 62.7310 174.4890 59 E 4.0036 8.8841 129.2187 59.1261 29.5020 177.9391 60 D 4.3971 8.1284 117.8758 57.1589 41.3275 177.6544 61 L 3.4334 8.0438 120.8585 57.9865 42.0419 178.8087 62 K 3.8155 7.7445 119.4374 59.4967 32.2069 178.6064 63 K 4.0080 8.2880 120.0395 59.7877 32.0281 178.3232 64 H 4.4548 8.6743 118.8165 58.9021 29.7866 177.3491 65 G 3.6309 8.3595 108.0784 47.8203 0.0000 175.7368 66 V 3.6069 7.6421 120.2103 65.9367 31.6712 177.9784 67 T 3.8872 7.7723 115.2190 66.8435 68.3294 176.6548 68 V 3.6327 7.9654 119.9805 66.1354 31.5637 178.0721 69 L 4.2991 8.0926 118.3737 57.6857 41.4711 179.5666 70 T 4.0006 8.2555 116.1451 66.4153 68.2577 176.6650 71 A 4.0157 7.9969 122.4324 54.9818 18.3436 179.4877 72 L 3.7672 8.2128 119.1432 58.0612 42.1579 179.3599 73 G 3.2016 8.4160 105.7315 47.6927 0.0000 175.5416 74 A 4.0353 7.7487 122.0761 54.6348 18.5977 179.7387 75 I 3.7795 7.3329 118.2696 64.6633 37.3195 178.3484 76 L 3.9372 7.7600 119.9827 57.8845 41.2232 179.3340 77 K 4.1066 7.7090 115.5689 57.5240 32.3113 178.3073 78 K 4.0469 7.9125 118.7454 55.2531 33.2225 176.0230 79 K 2.0000 8.1941 118.5877 56.3395 29.7128 174.7263 80 G 4.0281 7.6754 105.7983 45.8565 0.0000 172.9257 81 H 4.5234 7.6635 118.6753 55.7856 28.0286 175.6215 82 H 5.1717 7.5491 112.5396 54.6414 29.7604 175.8320 83 E 3.9811 8.2273 122.2182 60.5067 29.1131 178.4589 84 A 4.0366 7.9362 120.1603 54.5502 17.6580 178.8210 85 E 4.1522 8.1028 116.6186 58.9116 29.8114 178.5847 86 L 4.2714 8.1691 120.3526 57.2497 42.2393 178.6612 87 K 3.9103 8.0165 119.8412 59.1840 32.1741 177.0888 88 P 4.2932 0.0000 0.0000 65.1821 31.1709 178.4394 89 L 4.0027 7.4871 116.1946 58.2020 42.0188 178.8955 90 A 4.1361 8.1759 120.7817 55.2281 18.2414 179.5720 91 Q 3.8274 8.2121 116.7792 59.0890 28.7872 179.3383 92 S 3.9881 8.1774 115.2068 61.8990 63.1547 176.2856 93 H 4.2519 8.6632 119.9876 57.9750 28.3461 177.8394 94 A 2.9235 8.0726 123.3763 54.7183 17.8896 179.3173 95 T 3.7249 7.4175 106.2788 62.5821 69.7125 175.9641 96 K 4.0366 7.3318 121.1106 58.7283 32.7254 177.1410 97 H 4.3324 7.9838 113.6723 55.8152 29.5354 175.3226 98 K 3.7904 7.4694 117.1084 56.1370 28.9707 175.3326 99 I 4.2576 8.2053 118.4335 58.7832 38.9235 175.1367 100 P 4.4862 0.0000 0.0000 62.2765 32.0589 177.3370 101 I 3.3843 8.4797 122.3837 64.6291 36.8775 178.4115 102 K 3.6665 7.9227 119.6741 59.7954 31.8896 178.2426 103 Y 4.0006 8.0512 116.8521 60.7898 37.7603 178.2585 104 L 4.1675 7.8708 120.1195 57.3826 41.6247 179.0719 105 E 3.9562 7.8478 119.2053 59.1263 29.6472 178.5311 106 F 4.6454 7.6114 117.8603 60.9554 38.9671 177.5856 107 I 3.9048 8.1773 117.9621 63.7742 37.7246 177.9274 108 S 4.1787 8.2834 116.4396 61.7969 62.6543 176.4959 109 E 4.0560 8.3863 120.8802 59.3601 29.2093 179.3233 110 A 4.0375 8.1026 120.8572 55.1283 18.3554 179.7366 111 I 3.6687 8.0564 118.4774 64.7420 37.3230 178.7684 112 I 3.7901 7.8402 120.6132 64.4857 36.8422 177.9589 113 H 3.9828 8.4835 119.2635 59.3590 29.7249 177.5882 114 V 3.5510 7.8638 119.9547 65.8633 31.3582 177.9282 115 L 3.8112 8.0333 119.0741 57.8217 40.9962 179.0952 116 H 4.3307 7.6824 117.3469 59.3038 29.9486 177.1233 117 S 4.1534 7.9098 115.9675 61.3924 62.7581 176.2684 118 R 4.1720 7.6877 118.4606 56.9147 31.5641 176.4213 119 H 4.9888 8.0495 116.1821 53.3619 29.9510 172.4188 120 P 4.2718 0.0000 0.0000 66.1228 31.2626 179.3787 121 G 3.6127 8.1507 106.3462 47.0210 0.0000 173.5856 122 D 4.9103 8.2074 117.5527 54.1205 41.9286 176.0028 123 F 4.9500 8.2862 120.9882 56.7619 39.5109 174.3518 124 G 3.8944 7.6485 108.7953 43.8942 0.0000 172.2853 125 A 3.8786 8.4284 120.8388 55.1593 18.1540 179.5790 126 D 4.1908 7.9010 117.0340 56.3512 39.6104 178.6290 127 A 3.8386 7.6617 121.7082 54.7995 18.4603 178.8903 128 Q 3.2495 7.5744 118.5787 59.2880 28.9795 179.2593 129 G 3.4729 8.2210 106.5396 47.6518 0.0000 175.5891 130 A 3.8832 7.8828 123.2406 55.0565 18.2933 179.4495 131 M 3.9982 8.4113 117.1914 58.6446 32.2544 177.9698 132 N 4.3102 8.4196 117.4634 56.5259 39.0993 176.8916 133 K 3.8287 8.0650 119.6224 59.4876 32.1572 179.0468 134 A 3.8588 8.0087 121.0261 55.2839 18.3037 179.7579 135 L 4.0880 8.2815 117.6598 57.8250 41.5711 179.5985 136 E 4.0258 8.5319 119.0482 59.2423 29.4021 179.0571 137 L 3.9781 8.2196 120.5922 57.9330 42.1421 178.7750 138 F 4.1844 8.2396 120.6978 61.5571 39.3016 177.4458 139 R 3.6143 8.2012 117.6416 58.8256 29.9065 179.0253 140 K 3.8889 8.2588 119.8404 59.6103 32.1023 178.7474 141 D 4.3984 8.1920 119.1751 57.1534 40.6123 178.8795 142 I 3.5725 7.4714 120.3326 64.1849 36.9581 178.2926 143 A 3.7243 8.1464 121.7618 54.8384 18.2254 179.6102 144 A 3.9463 7.8450 119.0615 55.2463 18.4592 180.0293 145 K 3.9933 7.8746 117.1866 59.6953 32.1311 179.0334 146 Y 4.0329 8.5051 117.3685 61.0814 37.7127 178.5806 147 K 3.8891 8.4767 120.6837 59.6440 32.0174 178.1429 148 E 3.9369 7.8478 117.5888 59.4632 29.7182 178.5394 149 L 4.3065 7.8441 116.5630 55.8158 41.7683 177.9371 150 G 3.9068 7.8332 107.2838 45.6642 0.0000 173.5994 151 Y 4.3821 8.2698 114.4901 56.6761 38.8444 175.0656 152 Q 3.8930 8.2613 121.5379 59.1907 28.9385 177.0854 153 G 3.9042 9.1051 113.2896 45.7310 0.0000 172.8182 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 1 V 8.05 4.14 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 0.93 0.00 0.00 0.95 0.00 0.00 2 L 8.15 4.08 0.00 0.60 0.74 0.52 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.32 4.51 0.00 4.01 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 4 E 8.83 4.23 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 2.44 2.53 0.00 5 G 8.15 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 6 E 8.05 3.99 0.00 1.95 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 2.22 2.26 0.00 7 W 8.42 4.26 0.00 3.53 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 8.52 4.12 0.00 2.32 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 9 L 7.96 4.10 0.00 1.95 1.74 0.98 0.58 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 10 V 7.87 3.74 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 1.20 0.00 0.00 0.89 0.00 0.00 11 L 8.23 4.39 0.00 1.96 1.81 0.95 1.03 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 12 H 8.39 4.22 0.00 3.48 3.53 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.83 3.64 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 0.98 0.00 0.00 0.81 0.00 0.00 14 W 8.56 3.92 0.00 3.63 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 8.05 4.00 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 7.42 3.86 0.00 1.72 1.64 0.00 1.65 0.00 0.00 1.46 0.00 0.00 2.69 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.48 1.47 7.81 17 V 7.02 2.81 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.23 0.00 0.00 18 E 7.55 3.97 0.00 2.01 1.90 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 2.16 2.06 0.00 19 A 7.75 4.20 1.26 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 20 D 7.77 4.66 0.00 2.71 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 7.83 3.52 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 0.88 0.00 0.00 22 A 7.96 4.06 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 8.36 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 8.16 4.19 0.00 3.25 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 8.34 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 26 Q 8.07 3.84 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 27 D 7.99 4.28 0.00 2.81 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 7.72 3.63 1.81 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 1.50 0.73 0.88 0.00 0.00 29 L 7.64 3.40 0.00 1.34 0.94 0.76 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.65 3.58 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.67 0.87 0.00 0.00 31 R 8.02 3.79 0.00 1.84 2.12 0.00 3.06 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 32 L 7.90 3.92 0.00 1.72 1.38 1.06 1.37 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 33 F 8.03 4.60 0.00 3.11 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.29 4.04 0.00 1.67 1.83 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.60 7.81 35 S 8.03 4.36 0.00 3.77 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.61 0.00 3.01 3.03 0.00 5.63 0.00 0.00 0.00 0.00 6.83 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 4.50 0.00 2.15 2.10 0.00 3.80 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 2.08 1.98 0.00 38 E 8.30 4.11 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 2.22 2.51 0.00 39 T 8.29 3.98 4.53 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 0.96 0.00 0.00 40 L 8.00 3.58 0.00 1.43 1.74 -0.03 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.79 4.06 0.00 2.13 2.13 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 2.37 2.44 0.00 42 K 8.04 4.40 0.00 2.03 1.65 0.00 1.94 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.73 1.90 7.81 43 F 8.31 4.54 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 8.59 4.43 0.00 2.62 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 7.70 4.06 0.00 1.62 1.81 0.00 2.21 0.00 0.00 2.96 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 46 F 7.72 5.09 0.00 2.88 2.78 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 47 K 8.28 3.91 0.00 1.77 1.91 0.00 1.70 0.00 0.00 2.16 0.00 0.00 3.08 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.61 1.62 7.81 48 H 8.10 4.44 0.00 3.28 3.45 0.00 5.52 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 7.61 4.21 0.00 1.54 1.57 0.89 0.69 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 50 K 9.64 4.42 0.00 1.80 1.80 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.47 7.81 51 T 7.55 4.69 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 8.55 3.89 0.00 2.04 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 2.35 2.35 0.00 53 A 7.88 3.97 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 54 E 8.27 4.06 0.00 2.21 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 2.35 0.00 55 M 8.19 4.01 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.56 0.00 56 K 8.19 3.91 0.00 1.91 1.85 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.42 7.81 57 A 7.46 4.42 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 7.42 4.19 0.00 3.85 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.88 4.00 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 2.45 0.00 60 D 8.13 4.40 0.00 2.96 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.04 3.43 0.00 1.39 1.63 0.02 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.74 3.82 0.00 1.78 1.98 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.42 7.81 63 K 8.29 4.01 0.00 1.91 2.11 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.51 7.81 64 H 8.67 4.45 0.00 3.71 3.51 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 65 G 8.36 3.63 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 0.00 0.00 0.00 66 V 7.64 3.61 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 1.04 0.00 0.00 0.99 0.00 0.00 67 T 7.77 3.89 4.38 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 1.26 0.00 0.00 68 V 7.97 3.63 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 1.09 0.00 0.00 1.04 0.00 0.00 69 L 8.09 4.30 0.00 1.80 1.86 0.87 0.78 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 70 T 8.26 4.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 71 A 8.00 4.02 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.21 3.77 0.00 1.63 1.75 0.13 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.42 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 0.00 0.00 0.00 74 A 7.75 4.04 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 7.33 3.78 1.90 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 1.55 0.84 0.94 0.00 0.00 76 L 7.76 3.94 0.00 1.25 1.54 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.71 4.11 0.00 1.65 1.78 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.45 1.49 7.81 78 K 7.91 4.05 0.00 1.88 1.89 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.52 1.74 7.81 79 K 8.19 2.00 0.00 1.21 0.74 0.00 1.51 0.00 0.00 1.42 0.00 0.00 2.75 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.50 0.76 7.81 80 G 7.68 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 0.00 0.00 0.00 81 H 7.66 4.52 0.00 3.15 3.26 0.00 5.82 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 82 H 7.55 5.17 0.00 3.35 3.46 0.00 5.65 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.23 3.98 0.00 2.20 2.28 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 2.38 2.34 0.00 84 A 7.94 4.04 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 85 E 8.10 4.15 0.00 2.23 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 2.38 2.43 0.00 86 L 8.17 4.27 0.00 1.81 1.69 0.77 0.37 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 8.02 3.91 0.00 1.99 1.80 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.64 7.81 88 P 0.00 4.29 0.00 2.23 2.10 0.00 3.78 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 2.13 2.15 0.00 89 L 7.49 4.00 0.00 1.76 1.91 1.11 0.91 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 90 A 8.18 4.14 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 91 Q 8.21 3.83 0.00 2.24 2.11 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 2.35 2.65 0.00 92 S 8.18 3.99 0.00 3.97 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 8.66 4.25 0.00 3.47 3.56 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 8.07 2.92 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.42 3.72 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 96 K 7.33 4.04 0.00 1.54 1.64 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.13 1.35 7.81 97 H 7.98 4.33 0.00 2.99 3.18 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 7.47 3.79 0.00 1.85 1.82 0.00 1.78 0.00 0.00 2.39 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.37 7.81 99 I 8.21 4.26 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.96 1.06 0.00 0.00 100 P 0.00 4.49 0.00 1.73 1.77 0.00 3.06 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.50 0.00 101 I 8.48 3.38 1.72 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.58 0.71 0.00 0.00 102 K 7.92 3.67 0.00 1.75 1.71 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 0.73 7.81 103 Y 8.05 4.00 0.00 3.19 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 0.00 104 L 7.87 4.17 0.00 1.75 1.78 0.58 0.89 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 0.00 105 E 7.85 3.96 0.00 1.94 1.92 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 2.42 2.41 0.00 106 F 7.61 4.65 0.00 3.21 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 0.00 107 I 8.18 3.90 2.01 0.00 0.00 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 1.58 1.61 1.08 0.00 0.00 108 S 8.28 4.18 0.00 4.18 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 0.00 109 E 8.39 4.06 0.00 2.35 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 2.43 2.63 0.00 110 A 8.10 4.04 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 0.00 111 I 8.06 3.67 2.10 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.87 1.01 0.00 0.00 112 I 7.84 3.79 2.11 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 1.67 1.20 1.12 0.00 0.00 113 H 8.48 3.98 0.00 3.41 3.53 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 7.86 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 0.91 0.00 0.00 0.97 0.00 0.00 115 L 8.03 3.81 0.00 0.89 0.39 0.69 1.01 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 7.68 4.33 0.00 3.53 3.50 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.91 4.15 0.00 3.93 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.69 4.17 0.00 1.53 1.50 0.00 2.76 0.00 0.00 2.75 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.57 0.00 119 H 8.05 4.99 0.00 3.16 3.19 0.00 5.65 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 4.27 0.00 2.22 2.31 0.00 3.59 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 2.07 1.97 0.00 121 G 8.15 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 0.00 122 D 8.21 4.91 0.00 2.77 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 0.00 123 F 8.29 4.95 0.00 2.98 3.02 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 0.00 0.00 0.00 124 G 7.65 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 0.00 125 A 8.43 3.88 1.26 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 0.00 126 D 7.90 4.19 0.00 2.83 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 0.00 127 A 7.66 3.84 1.22 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 0.00 0.00 128 Q 7.57 3.25 0.00 1.53 2.02 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 2.27 2.33 0.00 129 G 8.22 3.47 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 0.00 130 A 7.88 3.88 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 8.41 4.00 0.00 2.51 2.45 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 2.75 2.84 0.00 132 N 8.42 4.31 0.00 2.97 2.91 0.00 0.00 7.19 7.00 0.00 0.00 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 8.06 3.83 0.00 1.87 1.67 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.54 7.81 134 A 8.01 3.86 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 0.00 135 L 8.28 4.09 0.00 1.86 1.80 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.53 4.03 0.00 2.17 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 2.53 0.00 137 L 8.22 3.98 0.00 1.81 1.97 1.00 1.01 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 0.00 138 F 8.24 4.18 0.00 3.11 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.20 3.61 0.00 2.04 1.85 0.00 3.11 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 140 K 8.26 3.89 0.00 1.85 2.00 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.46 7.81 141 D 8.19 4.40 0.00 2.71 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 7.47 3.57 1.48 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.10 0.39 0.00 0.00 143 A 8.15 3.72 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 7.84 3.95 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 0.00 145 K 7.87 3.99 0.00 2.04 1.95 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.55 7.81 146 Y 8.51 4.03 0.00 3.24 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.48 3.89 0.00 1.93 2.05 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 148 E 7.85 3.94 0.00 2.06 2.20 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 2.35 2.37 0.00 149 L 7.84 4.31 0.00 1.82 1.93 0.85 1.11 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 0.00 150 G 7.83 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 0.00 0.00 0.00 151 Y 8.27 4.38 0.00 2.57 2.78 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 0.00 152 Q 8.26 3.89 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 153 G 9.11 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