NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 S 4.5024 8.1933 115.3039 57.8746 63.6231 174.2689 17 E 3.8574 8.9653 128.1398 58.4768 29.3365 177.2038 18 L 4.0142 8.2870 120.2591 58.4218 42.4625 178.4863 19 F 4.1714 8.3640 120.0201 61.6109 39.3428 176.9808 20 T 3.8445 7.8542 114.9790 66.8614 68.3241 176.5545 21 L 3.9948 8.6774 121.1551 58.0367 41.5751 179.7800 22 T 3.8318 7.9139 115.7089 66.7480 68.2625 176.2028 23 Y 3.9559 8.1754 121.9783 60.4659 38.7323 178.1881 24 G 3.5244 8.3017 106.6246 47.6876 0.0000 175.5206 25 A 3.9364 8.0246 123.1750 54.6271 18.3314 179.2364 26 L 3.7705 7.8656 118.9409 58.4273 42.1435 179.2443 27 V 3.3973 7.4160 117.9333 66.3684 30.9588 178.0114 28 T 3.8081 7.8644 115.2499 66.7712 68.3007 176.3988 29 Q 3.9494 8.2059 121.3973 59.0360 29.0016 178.0122 30 L 4.1042 8.2973 120.5202 58.1752 41.4701 179.3706 31 C 4.2151 7.9607 115.4543 62.4690 28.0264 175.9476 32 K 4.1741 7.4606 119.2566 59.2507 31.7970 178.7777 33 D 4.2650 7.9107 118.4510 55.7769 41.1092 176.3342 34 Y 4.7224 7.4443 116.2435 56.0240 39.6821 175.9473 35 E 4.1846 9.0314 124.1005 58.4262 29.9675 176.9990 36 N 5.1618 7.8390 114.4175 50.2871 40.4620 175.0574 37 D 4.3658 8.5783 119.5095 57.1577 40.8282 178.8806 38 E 3.9085 8.0802 119.2196 59.4658 29.4959 178.7911 39 D 4.0649 7.8872 118.7855 56.9937 40.6848 178.9322 40 V 3.3035 7.3718 118.1776 66.0251 31.5855 177.3449 41 N 4.2118 8.6439 116.6654 56.5058 38.3766 177.4606 42 K 3.8914 8.0253 119.5197 59.4843 32.0541 179.2547 43 Q 3.8996 7.8631 119.7499 59.0307 28.9332 178.0493 44 L 4.0279 8.1162 120.3145 57.9156 41.7158 178.9964 45 D 4.3640 8.2517 117.8329 57.1775 41.1971 177.9860 46 K 3.8721 8.1911 120.1281 60.0665 32.1558 178.5009 47 M 4.2510 8.4480 119.1013 58.3036 31.8752 179.0074 48 G 3.6510 8.3993 105.9038 47.7412 0.0000 175.2016 49 F 4.1935 8.7088 123.9643 61.3169 38.9753 176.9886 50 N 4.4224 8.4987 115.7851 56.3036 38.3219 177.5649 51 I 3.6623 8.0844 121.4079 64.3839 37.2548 178.6160 52 G 3.5341 8.4517 106.8488 47.8121 0.0000 175.5891 53 V 3.4250 7.2171 119.5132 65.8219 31.2887 177.9193 54 R 4.1328 7.3668 117.1282 58.6132 30.1479 178.4615 55 L 3.8315 8.1933 120.5952 58.1271 41.8814 178.8202 56 I 3.8108 7.7162 118.5536 64.2497 37.7334 177.7746 57 E 4.0014 7.9973 119.0361 59.1901 29.0348 178.7318 58 D 4.3860 8.0432 116.8509 57.3179 41.8078 177.6675 59 F 4.5200 8.6903 122.8066 60.9995 39.2882 177.1890 60 L 3.8381 8.2264 117.2236 57.4398 41.4314 178.9819 61 A 4.1101 7.6330 119.9271 54.1321 18.4692 178.8887 62 R 4.2689 7.4543 114.9388 55.6295 31.0317 176.2915 63 S 4.6456 6.9192 111.3309 56.3914 66.7278 173.6887 64 N 4.8858 8.0119 116.8087 52.1931 37.9015 175.8097 65 V 3.8487 7.5284 115.9781 62.8534 33.3682 178.0439 66 G 3.8212 7.4597 105.9696 47.0257 0.0000 173.6409 67 R 4.5017 8.3498 120.7809 54.1367 33.7567 174.6159 68 A 4.5704 8.9112 125.2396 51.3634 18.2719 176.4122 69 H 4.8180 8.2151 119.9039 56.1306 29.5122 175.0483 70 D 4.3273 7.3365 118.8861 53.0438 42.3995 175.3333 71 F 4.5295 8.2194 120.4241 61.3115 39.1895 177.0995 72 R 3.6510 7.9125 117.5099 59.2650 29.7788 178.6797 73 E 3.9372 8.8096 118.7234 59.5347 29.3143 179.6103 74 T 3.8488 7.9838 115.7060 66.4097 68.4751 176.2708 75 A 3.5517 7.8037 122.8170 55.2988 18.1224 179.3960 76 D 4.2447 7.7100 116.7386 57.4372 40.8735 179.2876 77 V 3.6277 7.7122 118.5856 66.1421 31.5791 177.8459 78 I 3.6403 8.1184 119.6452 64.4818 36.7811 178.2664 79 A 3.9168 8.2741 120.8317 55.1056 18.4395 179.2572 80 K 4.2428 8.1815 114.9122 57.3831 32.7576 177.9240 81 V 4.2492 7.5892 115.5819 64.4676 33.1255 177.3160 82 A 3.9645 8.0987 120.1762 55.2714 18.2741 179.5750 83 F 3.8366 8.4380 116.4017 60.3697 38.9666 177.7857 84 K 4.1350 8.0850 120.0556 59.1897 31.9046 178.0784 85 M 3.8094 7.9925 117.2449 58.9972 32.3360 177.2647 86 Y 4.3915 7.9707 116.1212 59.2088 38.2515 176.9264 87 L 4.6404 8.3001 117.0974 53.4357 43.5689 176.8672 88 G 3.9650 8.2948 106.6369 46.1727 0.0000 173.4295 89 I 4.7042 7.5485 110.8756 59.0229 40.6723 174.3487 90 T 4.8104 8.1016 117.8530 60.5387 69.3604 171.8745 91 P 4.5055 0.0000 0.0000 62.6249 32.2362 176.3197 92 S 4.4975 8.4585 116.2680 58.0708 64.9604 172.7710 93 I 4.9584 8.1613 122.8064 60.3702 38.5671 174.9337 94 T 4.5750 8.3749 116.0357 59.7053 72.9950 172.8473 95 N 4.2784 8.5976 115.4945 54.1305 35.7978 175.5188 96 W 4.5651 8.0534 116.9932 56.4233 30.3168 177.2142 97 S 4.4507 9.0231 118.5453 57.5318 63.1449 173.5397 98 P 4.1615 0.0000 0.0000 65.7089 31.1305 177.0835 99 A 4.2332 8.1439 118.1026 51.9344 18.8888 177.5547 100 G 4.0957 8.5027 104.1448 46.3601 0.0000 173.9539 101 D 5.1480 8.2190 116.4917 52.5586 40.9881 174.9144 102 E 5.5408 8.5706 119.5856 55.7141 33.3245 173.6737 103 F 4.8127 8.6277 120.4121 55.9005 41.9246 172.8124 104 S 4.9220 8.9096 115.3238 56.6368 66.2171 173.4003 105 L 4.8945 8.6960 123.8355 53.4375 43.5254 175.4286 106 I 4.7220 8.7169 126.0234 59.7368 39.0849 175.0379 107 L 5.0350 8.9548 126.6573 52.9728 45.0644 177.2968 108 E 4.2481 8.8852 119.7191 57.2019 30.0111 175.6715 109 N 4.8595 7.2770 113.9315 52.9003 39.3390 172.5553 110 N 4.7077 8.4673 116.9480 52.4638 39.5335 174.4432 111 P 4.1371 0.0000 0.0000 64.8635 31.7582 176.8710 112 L 4.6947 8.0169 116.2661 54.2587 43.3479 176.4749 113 V 4.4707 7.4567 117.6945 61.1174 33.9815 174.8041 114 D 4.3487 8.8113 126.5967 56.0141 41.4703 176.6765 115 F 4.8712 7.6259 114.6529 55.8012 43.0497 173.9062 116 V 4.4446 8.1053 115.4363 59.4205 34.7369 175.2903 117 E 4.3678 8.5901 121.6968 55.7177 30.4013 176.0952 118 L 4.7433 8.1743 122.6876 52.2044 43.9000 174.7980 119 P 4.5254 0.0000 0.0000 61.7848 32.6006 175.4612 120 D 4.4526 8.5647 119.1130 54.8348 41.3972 176.0645 121 N 5.0994 8.7989 121.7217 53.2783 40.5210 174.3846 122 H 5.6828 9.0215 115.1749 53.8682 29.7972 175.2211 123 S 4.3383 8.0530 114.6435 60.8823 63.3014 175.9216 124 S 4.2969 7.8137 114.3197 58.9473 63.1662 173.9272 125 L 3.9542 7.3774 123.7520 54.7477 42.2854 176.6746 126 I 3.8665 8.4003 127.9294 59.4688 36.3341 175.6276 127 Y 4.1484 7.7312 123.5080 60.5410 38.1133 178.3089 128 S 5.2082 7.3807 114.1527 57.3014 63.7630 175.6284 129 N 4.5746 8.2596 121.3280 56.4494 38.4455 175.4752 130 L 4.2816 8.2540 121.6773 58.3138 42.1366 178.4462 131 L 3.9476 8.1834 120.1875 58.3070 41.9922 178.8342 132 C 4.2802 8.2211 116.5506 62.5251 28.1436 176.0755 133 G 3.6877 8.0074 107.3216 47.7740 0.0000 175.5417 134 V 3.6450 8.0276 121.6019 65.8223 31.4499 177.8525 135 L 3.8933 7.9014 118.2615 57.9053 41.4367 179.6626 136 R 4.0236 8.1672 118.4353 59.4441 29.5899 178.7676 137 G 2.7160 8.4680 105.7062 47.4778 0.0000 175.5643 138 A 4.0459 8.0729 123.5483 54.8021 18.3815 179.7623 139 L 4.0844 7.9527 117.5756 57.6322 41.7269 178.9631 140 E 4.1177 8.5157 119.7713 59.8389 29.2914 178.7896 141 M 4.3000 7.6771 116.2632 57.0754 31.9802 177.8910 142 V 4.3709 6.8841 111.7094 60.8844 32.9817 175.8453 143 Q 3.6989 8.0757 115.5995 56.9948 26.4230 172.5356 144 M 5.1403 8.1119 117.7641 53.4166 34.0385 175.6942 145 A 4.2805 8.8063 127.5289 51.8010 19.4623 176.6425 146 V 4.8884 8.3512 114.5275 59.8436 36.5455 174.5318 147 E 4.7557 9.1692 121.7457 54.4201 32.4572 174.1266 148 A 5.1776 8.5917 127.7633 50.1198 21.9007 175.4158 149 K 4.5297 8.4052 122.0729 54.9396 36.3487 174.9817 150 F 4.6275 9.1445 126.7325 58.0351 38.8311 175.3634 151 V 4.4507 9.1314 116.7007 61.3873 33.6087 175.9204 152 Q 4.8885 7.9700 118.3276 54.3835 33.7072 173.5590 153 D 5.0263 9.7523 121.6479 53.1412 44.4216 176.2823 154 T 4.3899 8.8156 116.2910 64.2781 68.8268 176.1081 155 L 4.0668 8.1380 119.8285 56.2646 41.7491 177.4114 156 K 4.3936 8.2301 117.2523 56.0832 32.2946 177.0994 157 G 3.9729 8.3010 107.6537 45.2837 0.0000 173.8340 158 D 4.6898 7.8035 119.4298 53.2002 41.9098 177.7093 159 G 3.6107 8.6564 110.2247 48.1937 0.0000 173.7943 160 V 4.6206 7.3671 110.2019 59.6250 36.2735 175.0962 161 T 4.7750 8.8319 118.6921 62.4325 70.6075 173.9951 162 E 4.9877 9.2930 126.5695 54.5831 33.2424 173.9731 163 I 4.4232 8.4465 128.3986 59.6247 39.3091 174.5602 164 R 4.5595 8.9528 128.8970 55.1801 31.8791 174.6973 165 M 4.9609 8.5402 126.2562 53.4964 34.6402 174.9206 166 R 5.1803 8.9782 122.9348 54.2413 33.6739 174.5769 167 F 4.2249 8.8078 127.2139 57.9408 39.3568 174.8399 168 I 3.9191 8.1108 128.0376 62.9458 37.5104 176.1968 169 R 4.3281 6.4928 118.2321 54.6415 34.8299 174.0607 170 R 4.7788 8.5571 119.5603 56.0818 31.4781 176.8931 171 I 4.1239 8.5947 122.1749 61.5337 36.9348 175.7433 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 16 S 8.19 4.50 0.00 3.94 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 17 E 8.97 3.86 0.00 2.14 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 2.45 2.41 0.00 18 L 8.29 4.01 0.00 1.81 1.78 0.96 0.94 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 19 F 8.36 4.17 0.00 3.25 3.11 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 20 T 7.85 3.84 4.46 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 1.28 0.00 0.00 21 L 8.68 3.99 0.00 1.72 1.71 0.94 0.85 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 22 T 7.91 3.83 4.31 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 1.20 0.00 0.00 23 Y 8.18 3.96 0.00 2.22 2.61 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 24 G 8.30 3.52 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 0.00 0.00 0.00 25 A 8.02 3.94 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 26 L 7.87 3.77 0.00 1.77 1.56 0.89 0.76 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 27 V 7.42 3.40 1.83 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 0.90 0.00 0.00 0.34 0.00 0.00 28 T 7.86 3.81 4.35 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 1.19 0.00 0.00 29 Q 8.21 3.95 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 30 L 8.30 4.10 0.00 1.86 1.85 0.93 0.95 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 31 C 7.96 4.22 0.00 3.11 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 32 K 7.46 4.17 0.00 1.89 1.83 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.68 7.81 33 D 7.91 4.26 0.00 2.51 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 0.00 0.00 0.00 34 Y 7.44 4.72 0.00 2.96 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 35 E 9.03 4.18 0.00 2.00 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 2.32 2.32 0.00 36 N 7.84 5.16 0.00 2.93 2.88 0.00 0.00 6.29 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.58 4.37 0.00 2.67 2.69 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 38 E 8.08 3.91 0.00 2.00 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 2.36 2.42 0.00 39 D 7.89 4.06 0.00 2.63 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 0.00 0.00 0.00 40 V 7.37 3.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.09 0.00 0.00 41 N 8.64 4.21 0.00 2.85 2.82 0.00 0.00 7.12 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.03 3.89 0.00 1.79 1.76 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.60 7.81 43 Q 7.86 3.90 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 44 L 8.12 4.03 0.00 1.92 1.90 0.92 1.26 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 45 D 8.25 4.36 0.00 3.06 2.84 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 46 K 8.19 3.87 0.00 1.94 2.00 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.48 7.81 47 M 8.45 4.25 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.62 0.00 48 G 8.40 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 49 F 8.71 4.19 0.00 3.14 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 50 N 8.50 4.42 0.00 3.03 2.91 0.00 0.00 7.12 6.64 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 51 I 8.08 3.66 1.99 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 1.47 0.65 0.82 0.00 0.00 52 G 8.45 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 53 V 7.22 3.42 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 0.81 0.00 0.00 0.49 0.00 0.00 54 R 7.37 4.13 0.00 1.98 1.92 0.00 3.19 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 55 L 8.19 3.83 0.00 1.60 1.60 0.18 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.72 3.81 1.84 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 1.56 1.41 0.93 0.00 0.00 57 E 8.00 4.00 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 2.32 0.00 58 D 8.04 4.39 0.00 2.72 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 59 F 8.69 4.52 0.00 3.40 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 60 L 8.23 3.84 0.00 1.66 1.71 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.63 4.11 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 62 R 7.45 4.27 0.00 1.77 1.86 0.00 3.03 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 63 S 6.92 4.65 0.00 3.64 3.37 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 64 N 8.01 4.89 0.00 2.68 2.72 0.00 0.00 6.47 7.68 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 65 V 7.53 3.85 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 0.86 0.00 0.00 0.98 0.00 0.00 66 G 7.46 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 0.00 0.00 0.00 67 R 8.35 4.50 0.00 1.79 1.84 0.00 3.42 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 68 A 8.91 4.57 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.22 4.82 0.00 3.23 3.39 0.00 5.78 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 70 D 7.34 4.33 0.00 2.85 2.74 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 0.00 0.00 0.00 71 F 8.22 4.53 0.00 2.98 3.46 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 72 R 7.91 3.65 0.00 1.75 1.46 0.00 2.78 0.00 0.00 2.59 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.24 0.00 73 E 8.81 3.94 0.00 2.02 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 2.23 2.45 0.00 74 T 7.98 3.85 4.37 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 1.29 0.00 0.00 75 A 7.80 3.55 0.29 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 76 D 7.71 4.24 0.00 2.81 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 77 V 7.71 3.63 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 1.06 0.00 0.00 78 I 8.12 3.64 2.08 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 1.44 0.76 1.16 0.00 0.00 79 A 8.27 3.92 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 80 K 8.18 4.24 0.00 1.98 1.89 0.00 1.53 0.00 0.00 1.61 0.00 0.00 3.25 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.47 7.81 81 V 7.59 4.25 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 1.00 0.00 0.00 82 A 8.10 3.96 0.90 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 83 F 8.44 3.84 0.00 3.32 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 84 K 8.08 4.14 0.00 1.91 2.03 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.42 7.81 85 M 7.99 3.81 0.00 1.75 1.98 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.58 0.00 86 Y 7.97 4.39 0.00 2.95 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 87 L 8.30 4.64 0.00 1.79 1.77 0.81 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.29 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.55 4.70 1.91 0.00 0.00 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 1.58 1.15 1.01 0.00 0.00 90 T 8.10 4.81 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 1.24 0.00 0.00 91 P 0.00 4.51 0.00 1.73 1.62 0.00 3.73 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.44 0.00 92 S 8.46 4.50 0.00 3.93 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 93 I 8.16 4.96 1.87 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 1.26 0.52 0.67 0.00 0.00 94 T 8.37 4.58 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 1.19 0.00 0.00 95 N 8.60 4.28 0.00 2.80 2.89 0.00 0.00 6.89 7.68 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 96 W 8.05 4.57 0.00 3.33 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 97 S 9.02 4.45 0.00 4.14 4.12 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 0.00 0.00 0.00 98 P 0.00 4.16 0.00 2.11 2.22 0.00 3.75 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 2.08 2.16 0.00 99 A 8.14 4.23 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 0.00 100 G 8.50 4.10 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 0.00 101 D 8.22 5.15 0.00 2.87 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 0.00 102 E 8.57 5.54 0.00 2.15 1.89 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 2.25 2.41 0.00 103 F 8.63 4.81 0.00 1.70 1.45 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 0.00 104 S 8.91 4.92 0.00 3.72 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 0.00 105 L 8.70 4.89 0.00 1.31 1.29 0.86 0.73 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 0.00 106 I 8.72 4.72 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.31 0.88 0.00 0.00 107 L 8.95 5.03 0.00 1.51 1.51 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.89 4.25 0.00 1.94 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 2.27 2.22 0.00 109 N 7.28 4.86 0.00 2.71 2.75 0.00 0.00 6.35 8.04 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 0.00 110 N 8.47 4.71 0.00 2.88 2.92 0.00 0.00 6.68 7.71 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 0.00 111 P 0.00 4.14 0.00 2.39 2.35 0.00 4.01 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 112 L 8.02 4.69 0.00 1.65 1.60 0.43 0.78 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 0.00 113 V 7.46 4.47 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 0.75 0.00 0.00 1.15 0.00 0.00 114 D 8.81 4.35 0.00 2.75 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 7.63 4.87 0.00 2.94 2.82 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 0.00 116 V 8.11 4.44 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 -0.02 0.00 0.00 0.87 0.00 0.00 117 E 8.59 4.37 0.00 2.00 1.89 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 2.29 2.34 0.00 118 L 8.17 4.74 0.00 1.62 1.57 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.53 0.00 2.18 2.05 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 120 D 8.56 4.45 0.00 2.81 2.62 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 0.00 121 N 8.80 5.10 0.00 2.57 2.62 0.00 0.00 6.89 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 H 9.02 5.68 0.00 3.28 3.16 0.00 5.83 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.05 4.34 0.00 3.98 4.10 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 0.00 124 S 7.81 4.30 0.00 3.84 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 0.00 125 L 7.38 3.95 0.00 1.46 1.30 0.83 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 126 I 8.40 3.87 1.77 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.56 0.75 0.00 0.00 127 Y 7.73 4.15 0.00 2.91 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 0.00 128 S 7.38 5.21 0.00 3.70 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 8.26 4.57 0.00 3.03 2.88 0.00 0.00 6.88 6.29 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 0.00 130 L 8.25 4.28 0.00 2.07 1.74 1.14 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.18 3.95 0.00 1.88 2.04 0.74 1.09 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 0.00 132 C 8.22 4.28 0.00 3.28 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 0.00 133 G 8.01 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 0.00 134 V 8.03 3.64 2.14 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 0.88 0.00 0.00 0.93 0.00 0.00 135 L 7.90 3.89 0.00 1.89 1.72 0.93 0.74 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 0.00 136 R 8.17 4.02 0.00 1.98 2.23 0.00 3.16 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 137 G 8.47 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 0.00 0.00 0.00 138 A 8.07 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 0.00 139 L 7.95 4.08 0.00 1.88 1.86 1.10 0.92 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 0.00 140 E 8.52 4.12 0.00 2.21 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 2.40 2.46 0.00 141 M 7.68 4.30 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.80 0.00 142 V 6.88 4.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.07 0.00 0.00 143 Q 8.08 3.70 0.00 2.43 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 144 M 8.11 5.14 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.71 0.00 145 A 8.81 4.28 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 0.00 146 V 8.35 4.89 2.35 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 1.02 0.00 0.00 1.04 0.00 0.00 147 E 9.17 4.76 0.00 1.96 1.71 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 2.16 2.21 0.00 148 A 8.59 5.18 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 0.00 149 K 8.41 4.53 0.00 1.82 1.57 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.46 7.81 150 F 9.14 4.63 0.00 2.94 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 0.00 151 V 9.13 4.45 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 0.71 0.00 0.00 0.97 0.00 0.00 152 Q 7.97 4.89 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 153 D 9.75 5.03 0.00 2.77 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 0.00 154 T 8.82 4.39 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 1.33 0.00 0.00 155 L 8.14 4.07 0.00 1.94 1.43 0.57 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.23 4.39 0.00 1.91 1.87 0.00 1.77 0.00 0.00 1.94 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.68 1.55 7.81 157 G 8.30 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 0.00 0.00 0.00 158 D 7.80 4.69 0.00 2.89 2.61 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 0.00 159 G 8.66 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 0.00 160 V 7.37 4.62 2.19 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 0.75 0.00 0.00 0.94 0.00 0.00 161 T 8.83 4.78 4.39 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 1.55 0.00 0.00 162 E 9.29 4.99 0.00 1.94 1.81 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 2.10 2.17 0.00 163 I 8.45 4.42 1.56 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.14 0.58 0.00 0.00 164 R 8.95 4.56 0.00 1.68 1.67 0.00 3.12 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.64 0.00 165 M 8.54 4.96 0.00 1.47 0.57 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.00 0.00 166 R 8.98 5.18 0.00 1.68 1.77 0.00 3.08 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.49 0.00 167 F 8.81 4.22 0.00 1.51 2.32 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 0.00 168 I 8.11 3.92 1.70 0.00 0.00 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 1.07 0.85 0.76 0.00 0.00 169 R 6.49 4.33 0.00 1.53 1.64 0.00 3.05 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 170 R 8.56 4.78 0.00 1.82 1.95 0.00 3.29 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.01 0.00 171 I 8.59 4.12 1.91 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 1.10 0.55 0.94 0.00 0.00