NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4070 8.3193 115.4109 57.5720 65.4595 173.3891 6 E 3.6569 8.0755 118.9901 55.4559 29.2544 175.1011 7 D 4.1570 9.2466 125.5956 55.7948 42.2427 175.7256 8 N 4.1165 7.9950 126.6155 53.1531 35.1602 172.5974 9 I 4.6890 7.8506 121.6137 59.3791 40.4168 174.5928 10 T 4.5999 8.8128 120.2877 60.2195 70.1949 172.7513 11 V 4.7754 8.0505 127.2418 61.1204 33.8527 174.5591 12 R 4.1442 8.0364 122.1021 54.5647 33.0242 174.2874 13 F 4.7951 8.5536 118.8883 57.8722 39.5558 175.8694 14 V 4.2936 8.5460 115.8758 61.7725 32.5158 175.2742 15 T 4.8058 9.2501 112.4388 59.4489 71.9766 174.7679 16 E 4.2408 8.8202 120.0323 59.6525 29.5262 179.5735 17 N 4.4302 7.8532 115.4625 55.8925 38.8099 176.4150 18 D 4.6462 8.3245 117.3291 55.2346 40.9464 177.9200 19 K 2.6481 7.5281 121.4644 59.5070 31.8493 177.4845 20 E 4.0176 8.2594 118.6159 59.4168 29.5161 179.1865 21 G 3.6235 8.0550 104.8659 47.6261 0.0000 175.1325 22 W 4.2875 8.5810 131.8968 60.4010 30.6660 177.8082 23 Q 4.1206 8.8088 119.4229 59.0301 28.6030 178.1053 24 R 3.8947 7.7714 120.1051 59.4512 30.1269 178.5871 25 L 3.8790 7.8445 118.6789 57.3088 41.7255 179.0662 26 W 4.1357 8.0140 128.7717 60.4744 30.4604 178.2179 27 K 3.8132 8.2027 118.3183 59.5338 31.5029 179.5823 28 S 4.1429 7.6851 115.0431 61.6212 62.7469 176.0397 29 Y 3.8650 7.6858 122.5789 60.7560 38.3447 178.3416 30 Q 3.5980 7.5011 118.5194 58.7253 28.5693 178.2878 31 D 4.2015 7.8458 120.0339 57.0223 40.5464 178.6550 32 F 4.1294 7.9605 120.4605 61.4913 39.6311 176.4024 33 Y 3.5935 7.4411 112.8812 57.5699 37.9711 175.2268 34 E 3.6241 7.5071 118.5807 57.7423 27.4863 174.0789 35 V 4.2794 7.5251 110.1940 59.5802 35.0014 176.0176 36 S 4.1774 7.9584 114.8476 57.3813 63.2670 172.8633 37 F 5.1247 8.5912 127.6217 55.2662 40.3548 174.7550 38 P 4.5144 0.0000 0.0000 62.6792 31.4819 176.9796 39 D 4.7583 8.8401 119.0947 57.5231 41.0144 178.3971 40 D 4.5029 8.2077 119.2508 57.2699 40.7610 178.1224 41 L 4.1968 8.1996 120.9928 58.0977 42.0879 178.7046 42 D 4.5627 8.4708 118.5941 57.6647 40.9073 178.3695 43 D 4.3882 7.9410 118.1283 57.2108 40.8166 178.6674 44 F 4.4171 8.1985 121.2348 61.3382 39.3534 176.9414 45 N 3.3756 8.1996 116.4395 56.0404 38.3775 177.2665 46 F 3.1231 7.5321 121.8620 60.5941 39.0803 177.4030 47 G 3.5250 7.5848 104.9414 47.8119 0.0000 175.6875 48 R 3.7944 7.4053 120.5044 58.4843 29.7090 179.0617 49 F 4.9210 6.9456 118.2913 60.2274 39.0069 177.6061 50 L 4.2461 7.3204 116.1841 55.8978 41.7037 176.7451 51 D 4.5074 7.3553 119.7132 52.2422 40.4759 174.9842 52 P 4.3270 0.0000 0.0000 65.1868 31.3684 176.8873 53 N 4.5762 8.1639 114.9311 53.3363 38.8182 174.6675 54 I 4.2463 7.2905 120.0518 59.1112 39.1070 177.6669 55 K 3.5288 8.1395 130.2652 56.1747 30.8675 176.6740 56 M 4.5490 6.6304 118.0714 53.4159 35.8066 174.5998 57 W 5.2312 8.8184 124.6579 54.9298 34.2384 174.0542 58 A 4.8828 8.1201 120.6757 50.7720 21.8515 175.3830 59 A 5.1728 9.2483 124.3412 50.0555 22.8104 175.5674 60 V 4.8434 8.5118 117.8061 60.0038 35.4748 174.1489 61 A 4.9046 8.8330 125.6721 50.7385 20.5143 176.2327 62 V 4.8756 8.7774 122.8214 60.8259 35.0357 174.6482 63 E 4.3651 8.7952 126.4700 56.4472 29.4216 177.5074 64 S 3.9181 8.4435 120.9798 62.0279 62.9891 175.5400 65 S 4.0540 8.5050 113.9917 59.0162 63.1817 173.5136 66 S 4.7314 7.6383 116.8248 55.8075 65.1627 175.6879 67 E 4.4133 8.4547 124.3712 56.0953 28.6807 177.0821 68 K 4.2595 7.8173 120.6031 56.1990 33.9430 175.8064 69 I 4.6506 8.4065 128.7537 61.1050 37.6029 175.5514 70 I 4.7451 8.9908 119.1601 59.3177 39.6408 175.1498 71 G 4.5252 7.8700 109.0569 45.1963 0.0000 171.1748 72 M 5.4331 9.2792 120.0079 53.9790 36.5379 173.9243 73 I 4.9662 8.6887 124.8136 60.0690 41.8680 172.9091 74 N 5.5298 9.2245 127.7394 51.5787 41.0652 174.0549 75 F 5.6309 8.9218 117.7300 55.9178 42.2203 172.9273 76 F 5.1901 8.8833 113.4446 56.0286 41.6107 172.2034 77 N 5.7232 9.0088 119.3597 52.7754 40.1445 173.6671 78 H 5.2076 9.0495 119.9501 54.3222 32.7892 172.7073 79 M 4.9885 8.6721 119.2338 55.4480 33.6550 175.6571 80 T 4.4137 8.0159 111.0732 61.7559 70.1431 173.8676 81 T 4.2454 8.7367 118.3558 63.1656 69.2939 175.0490 82 W 4.3550 8.0164 121.0291 57.3376 29.4754 175.1236 83 D 4.4979 7.2781 115.3180 53.1453 44.0056 175.2361 84 F 4.3555 8.6723 121.7029 60.2733 39.2305 176.8801 85 K 4.3541 7.8378 118.6304 56.1114 32.7002 176.8273 86 D 5.0154 8.4157 121.4557 53.7057 43.7106 174.5203 87 K 4.9174 9.0737 117.9714 56.0029 36.9933 174.9614 88 I 5.2867 8.9246 120.2144 59.6871 40.6768 174.3646 89 Y 4.8023 8.7579 127.2102 55.7218 41.2508 174.4870 90 I 4.1804 7.9457 128.6225 60.6772 36.8796 175.3928 91 N 4.1539 8.7737 127.4603 55.7981 39.6112 174.9836 92 D 5.1017 7.8946 116.1411 51.5385 45.7914 174.6936 93 L 4.9623 8.2861 121.9160 54.4266 45.1885 173.8396 94 Y 4.7666 9.0030 126.8750 56.2354 42.7861 173.4750 95 V 4.7265 7.0764 124.7908 60.6293 34.7915 174.6116 96 D 4.4291 9.0020 127.4932 54.9517 41.3363 177.3268 97 E 3.8323 9.1677 123.2149 59.6984 29.5740 178.1253 98 N 4.8250 8.0246 111.8699 53.8325 38.5808 175.3159 99 S 4.6344 7.9520 112.7332 58.0319 63.3479 174.4615 100 R 4.0581 7.5226 119.3707 56.3245 30.5179 176.2346 101 V 3.1948 8.1956 115.8706 64.4075 29.7197 172.8051 102 K 4.4448 7.4647 110.6987 55.4485 33.1974 177.7278 103 G 3.8653 8.2436 107.1546 45.8034 0.0000 175.7970 104 A 3.9411 7.9519 122.0265 55.0689 18.5154 179.6205 105 G 3.6538 8.0687 103.7990 48.0984 0.0000 175.7914 106 G 3.5582 7.9061 108.0188 47.3134 0.0000 175.7063 107 K 3.9467 7.9096 120.8274 58.9751 31.9847 179.4893 108 L 3.8202 7.7654 119.2631 57.9259 41.6416 179.6728 109 I 3.1919 7.2378 119.1538 64.0808 36.8524 178.3489 110 Q 3.7256 7.8774 120.5271 58.7831 28.8445 177.9648 111 F 3.9488 8.1325 121.9346 61.1490 39.3321 177.3104 112 V 2.9163 7.2628 117.4270 65.7459 31.1703 177.5735 113 Y 4.3241 7.5324 116.3552 61.2726 37.7367 178.3666 114 D 4.4298 7.9549 119.6165 57.5797 40.9525 178.8473 115 E 3.7384 7.7625 118.6613 59.1283 29.3213 179.3328 116 A 3.9845 8.0945 121.1374 55.0939 18.1959 179.4386 117 D 4.2935 8.0741 117.4861 57.5238 40.6789 179.1883 118 K 3.9832 7.9067 117.9387 59.2276 32.1415 178.8609 119 L 4.2760 7.8979 117.2697 55.2124 41.7203 178.0441 120 G 3.9939 7.9092 107.1878 45.7760 0.0000 174.4895 121 T 4.7042 7.6387 108.7439 58.8577 68.1556 172.1091 122 P 4.2474 0.0000 0.0000 66.0536 32.2208 177.7011 123 S 4.3530 8.0102 114.0034 58.3441 61.7595 172.2179 124 V 5.1751 8.1448 125.7657 61.4069 33.5681 173.7818 125 Y 4.9047 8.9521 123.9129 56.3349 41.9733 173.0499 126 W 5.1812 7.5952 115.9584 56.4593 30.7029 172.8718 127 C 4.8173 8.7179 112.9256 57.3973 31.8623 172.5823 128 T 4.9927 8.1800 114.0846 60.1511 70.7379 172.7188 129 D 4.5854 8.7502 123.9652 53.7248 41.8504 176.3804 130 E 4.0636 9.0937 127.4855 59.4085 29.5137 177.6475 131 S 4.3983 7.9103 109.8826 58.5933 63.9319 174.4992 132 N 4.6654 8.2489 122.6640 53.2734 37.2732 174.7300 133 H 4.3104 8.1101 120.4186 57.9184 29.0596 176.5975 134 R 3.7964 8.0045 119.3077 59.3811 30.0748 178.0076 135 A 3.7185 7.9487 119.9786 55.0893 18.5529 179.6646 136 Q 4.0601 7.8330 116.1017 58.5450 28.4686 178.7074 137 L 4.0100 7.6610 120.8735 57.1558 42.2879 177.7139 138 L 4.3828 7.8292 120.1013 57.1175 42.8085 177.7991 139 Y 4.7761 7.6622 116.1579 61.4819 37.6728 178.9200 140 V 4.0449 7.9859 112.1661 63.7592 31.6263 178.3392 141 K 4.2677 7.9928 118.0058 58.7391 32.3186 178.2772 142 V 4.3529 7.9916 109.3438 61.9560 32.6164 175.4547 143 G 4.3540 8.6283 107.6810 44.9467 0.0000 171.3407 144 Y 4.8046 7.7138 115.8897 54.6635 40.8771 174.7042 145 K 3.8831 8.8033 123.4442 56.1435 32.1349 176.4902 146 A 4.3443 8.0967 129.8956 51.5487 19.2828 174.9480 147 P 4.7044 0.0000 0.0000 63.0031 31.5454 176.0821 148 K 4.6911 7.6966 116.0023 55.5109 35.3986 176.0264 149 I 4.4232 8.1275 121.5861 59.3353 39.3756 175.0870 150 L 4.3799 8.3634 127.1972 54.2517 42.8345 175.1094 151 Y 4.6357 8.5597 123.0969 56.0194 40.5283 175.1077 152 K 4.7607 8.3975 122.7264 53.9999 35.7476 176.0187 153 R 4.0922 8.4033 121.7550 55.9057 30.6908 176.2133 154 K 4.1763 8.6550 124.4629 58.3763 32.4018 177.3669 155 G 3.8249 9.2838 111.9585 45.1806 0.0000 172.8619 156 Y 4.2561 7.7276 121.9020 58.1034 38.4530 175.3033 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 5 S 8.32 4.41 0.00 3.98 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 6 E 8.08 3.66 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 2.28 2.33 0.00 7 D 9.25 4.16 0.00 2.66 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 8 N 8.00 4.12 0.00 2.98 2.87 0.00 0.00 6.73 7.32 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 9 I 7.85 4.69 1.82 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 1.19 0.56 0.93 0.00 0.00 10 T 8.81 4.60 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 11 V 8.05 4.78 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 0.12 0.00 0.00 0.77 0.00 0.00 12 R 8.04 4.14 0.00 1.86 1.85 0.00 2.85 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 13 F 8.55 4.80 0.00 3.04 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 14 V 8.55 4.29 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 0.67 0.00 0.00 0.50 0.00 0.00 15 T 9.25 4.81 4.30 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 1.28 0.00 0.00 16 E 8.82 4.24 0.00 2.11 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 2.49 2.41 0.00 17 N 7.85 4.43 0.00 2.71 2.92 0.00 0.00 7.06 7.95 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 18 D 8.32 4.65 0.00 3.13 2.92 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 19 K 7.53 2.65 0.00 1.01 1.64 0.00 0.94 0.00 0.00 0.61 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.16 1.29 7.81 20 E 8.26 4.02 0.00 2.06 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 2.41 2.42 0.00 21 G 8.05 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 0.00 0.00 0.00 22 W 8.58 4.29 0.00 3.66 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 23 Q 8.81 4.12 0.00 2.58 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.69 0.00 24 R 7.77 3.89 0.00 2.02 2.17 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 25 L 7.84 3.88 0.00 1.79 1.66 0.98 1.02 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 26 W 8.01 4.14 0.00 2.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.20 3.81 0.00 2.12 1.77 0.00 1.75 0.00 0.00 1.93 0.00 0.00 3.35 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.49 7.81 28 S 7.69 4.14 0.00 3.46 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 29 Y 7.69 3.86 0.00 2.62 2.90 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 30 Q 7.50 3.60 0.00 1.94 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 1.16 1.79 0.00 31 D 7.85 4.20 0.00 2.85 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 32 F 7.96 4.13 0.00 3.05 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 7.44 3.59 0.00 2.70 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 34 E 7.51 3.62 0.00 1.94 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 2.13 2.22 0.00 35 V 7.53 4.28 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 0.64 0.00 0.00 0.26 0.00 0.00 36 S 7.96 4.18 0.00 3.67 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 37 F 8.59 5.12 0.00 3.17 2.99 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 38 P 0.00 4.51 0.00 2.31 2.26 0.00 3.93 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 2.21 2.04 0.00 39 D 8.84 4.76 0.00 2.90 2.80 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 0.00 0.00 0.00 0.00 40 D 8.21 4.50 0.00 2.78 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 41 L 8.20 4.20 0.00 1.95 2.11 1.07 1.14 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 42 D 8.47 4.56 0.00 3.15 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 43 D 7.94 4.39 0.00 2.98 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 44 F 8.20 4.42 0.00 2.95 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 45 N 8.20 3.38 0.00 2.39 1.84 0.00 0.00 6.70 7.76 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 46 F 7.53 3.12 0.00 2.86 2.80 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 0.00 0.00 0.00 0.00 47 G 7.58 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 48 R 7.41 3.79 0.00 1.26 1.50 0.00 2.52 0.00 0.00 2.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.97 0.00 49 F 6.95 4.92 0.00 2.43 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 50 L 7.32 4.25 0.00 1.57 1.68 1.10 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.36 4.51 0.00 2.68 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 0.00 0.00 0.00 0.00 52 P 0.00 4.33 0.00 2.20 2.15 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 53 N 8.16 4.58 0.00 2.81 2.86 0.00 0.00 6.78 7.61 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 54 I 7.29 4.25 1.76 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 1.18 0.58 0.63 0.00 0.00 55 K 8.14 3.53 0.00 1.59 1.50 0.00 1.94 0.00 0.00 1.97 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.40 7.81 56 M 6.63 4.55 0.00 1.68 1.51 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.74 0.00 57 W 8.82 5.23 0.00 2.15 2.80 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 0.00 0.00 0.00 0.00 58 A 8.12 4.88 -0.27 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 59 A 9.25 5.17 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.51 4.84 2.17 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 0.73 0.00 0.00 1.17 0.00 0.00 61 A 8.83 4.90 1.19 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 0.00 0.00 62 V 8.78 4.88 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 1.15 0.00 0.00 0.92 0.00 0.00 63 E 8.80 4.37 0.00 2.16 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 64 S 8.44 3.92 0.00 3.74 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 65 S 8.51 4.05 0.00 3.97 3.83 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 66 S 7.64 4.73 0.00 3.99 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 67 E 8.45 4.41 0.00 1.99 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 2.30 0.00 68 K 7.82 4.26 0.00 1.85 1.67 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.48 7.81 69 I 8.41 4.65 1.93 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 1.45 0.70 0.99 0.00 0.00 70 I 8.99 4.75 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.70 0.90 0.00 0.00 71 G 7.87 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 0.00 0.00 0.00 0.00 72 M 9.28 5.43 0.00 2.02 1.85 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 73 I 8.69 4.97 1.79 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.49 0.90 0.00 0.00 74 N 9.22 5.53 0.00 3.08 2.96 0.00 0.00 6.06 7.43 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 75 F 8.92 5.63 0.00 3.32 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 F 8.88 5.19 0.00 3.15 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 77 N 9.01 5.72 0.00 3.26 2.92 0.00 0.00 6.93 7.97 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 78 H 9.05 5.21 0.00 3.40 3.66 0.00 5.51 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 M 8.67 4.99 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.58 0.00 80 T 8.02 4.41 4.27 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 1.28 0.00 0.00 81 T 8.74 4.25 4.30 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 1.27 0.00 0.00 82 W 8.02 4.36 0.00 3.19 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 83 D 7.28 4.50 0.00 2.73 2.55 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 84 F 8.67 4.36 0.00 3.13 3.10 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 85 K 7.84 4.35 0.00 1.96 1.82 0.00 2.05 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.54 7.81 86 D 8.42 5.02 0.00 2.87 2.97 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 87 K 9.07 4.92 0.00 2.07 1.91 0.00 1.22 0.00 0.00 1.63 0.00 0.00 2.43 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.39 1.48 7.81 88 I 8.92 5.29 2.05 0.00 0.00 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 1.55 1.03 1.19 0.00 0.00 89 Y 8.76 4.80 0.00 2.72 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 0.00 0.00 0.00 90 I 7.95 4.18 1.63 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.58 0.64 0.00 0.00 91 N 8.77 4.15 0.00 2.96 3.09 0.00 0.00 7.00 8.03 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 92 D 7.89 5.10 0.00 2.64 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 0.00 0.00 0.00 93 L 8.29 4.96 0.00 1.50 1.55 0.85 0.75 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 94 Y 9.00 4.77 0.00 3.15 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 95 V 7.08 4.73 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.78 0.00 0.00 96 D 9.00 4.43 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.17 3.83 0.00 1.98 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 2.36 2.30 0.00 98 N 8.02 4.82 0.00 2.74 2.81 0.00 0.00 6.67 7.57 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 99 S 7.95 4.63 0.00 3.73 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 0.00 100 R 7.52 4.06 0.00 1.80 1.70 0.00 3.09 0.00 0.00 2.86 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.64 0.00 101 V 8.20 3.19 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 0.71 0.00 0.00 0.86 0.00 0.00 102 K 7.46 4.44 0.00 1.78 1.85 0.00 1.87 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.52 7.81 103 G 8.24 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 0.00 0.00 0.00 104 A 7.95 3.94 1.23 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 0.00 105 G 8.07 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 0.00 106 G 7.91 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 0.00 0.00 0.00 107 K 7.91 3.95 0.00 1.90 1.80 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.57 7.81 108 L 7.77 3.82 0.00 1.73 1.53 0.88 0.50 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 0.00 109 I 7.24 3.19 1.40 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.89 -0.18 0.00 0.00 110 Q 7.88 3.73 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 111 F 8.13 3.95 0.00 3.07 2.98 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 0.00 112 V 7.26 2.92 1.72 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 0.51 0.00 0.00 0.04 0.00 0.00 113 Y 7.53 4.32 0.00 3.16 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 0.00 114 D 7.95 4.43 0.00 2.55 2.55 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 0.00 115 E 7.76 3.74 0.00 1.74 1.75 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 1.47 1.66 0.00 116 A 8.09 3.98 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 0.00 0.00 117 D 8.07 4.29 0.00 2.87 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 0.00 118 K 7.91 3.98 0.00 1.83 1.83 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.59 7.81 119 L 7.90 4.28 0.00 1.75 1.76 0.51 0.79 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 0.00 120 G 7.91 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 0.00 121 T 7.64 4.70 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 1.35 0.00 0.00 122 P 0.00 4.25 0.00 2.18 2.30 0.00 3.87 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 123 S 8.01 4.35 0.00 3.97 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 0.00 124 V 8.14 5.18 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.16 0.00 0.00 125 Y 8.95 4.90 0.00 2.94 2.90 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 0.00 126 W 7.60 5.18 0.00 3.04 2.91 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 0.00 127 C 8.72 4.82 0.00 3.17 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 0.00 128 T 8.18 4.99 4.86 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 1.51 0.00 0.00 129 D 8.75 4.59 0.00 2.87 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.09 4.06 0.00 1.99 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 2.33 2.36 0.00 131 S 7.91 4.40 0.00 4.03 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 0.00 132 N 8.25 4.67 0.00 2.81 2.90 0.00 0.00 7.17 7.92 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 0.00 133 H 8.11 4.31 0.00 3.29 3.35 0.00 5.88 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 0.00 134 R 8.00 3.80 0.00 1.75 1.88 0.00 3.08 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 135 A 7.95 3.72 1.05 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 0.00 0.00 136 Q 7.83 4.06 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.74 0.00 0.00 0.00 0.00 0.00 2.64 2.67 0.00 137 L 7.66 4.01 0.00 1.90 1.66 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 138 L 7.83 4.38 0.00 1.64 1.57 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 7.66 4.78 0.00 3.25 3.33 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 0.00 140 V 7.99 4.04 2.18 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 0.93 0.00 0.00 1.05 0.00 0.00 141 K 7.99 4.27 0.00 2.01 1.92 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.52 7.81 142 V 7.99 4.35 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 0.75 0.00 0.00 1.17 0.00 0.00 143 G 8.63 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 0.00 0.00 0.00 0.00 144 Y 7.71 4.80 0.00 3.01 2.90 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 0.00 145 K 8.80 3.88 0.00 1.80 1.88 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 146 A 8.10 4.34 1.11 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 0.00 0.00 147 P 0.00 4.70 0.00 2.22 2.17 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 148 K 7.70 4.69 0.00 1.69 1.70 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.26 7.81 149 I 8.13 4.42 2.00 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 1.34 0.93 0.71 0.00 0.00 150 L 8.36 4.38 0.00 1.59 1.54 0.95 0.93 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 0.00 151 Y 8.56 4.64 0.00 2.98 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.40 4.76 0.00 1.77 1.77 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.42 7.81 153 R 8.40 4.09 0.00 1.84 1.82 0.00 3.05 0.00 0.00 2.84 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.73 0.00 154 K 8.65 4.18 0.00 1.86 1.80 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.53 7.81 155 G 9.28 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 0.00 156 Y 7.73 4.26 0.00 3.11 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