NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4261 8.3001 120.3254 55.4189 33.3915 175.3240 2 A 4.4365 8.0824 124.7673 47.6654 18.8664 173.4101 3 P 4.5450 0.0000 0.0000 60.8564 33.6800 174.0995 4 P 4.4894 0.0000 0.0000 63.3506 31.7053 175.8307 5 H 4.9093 8.6038 112.8064 54.7646 30.0064 172.8862 6 L 4.6812 7.5655 119.4648 53.4650 44.2466 175.1217 7 T 4.5986 7.8352 114.8558 60.2141 70.7306 172.9765 8 L 4.1771 8.1378 124.1332 54.0685 42.3508 178.3074 9 S 4.3164 8.4143 117.8372 57.6708 65.1527 173.4122 10 P 4.2427 0.0000 0.0000 66.0382 30.8926 178.5839 11 E 3.9210 8.0919 117.3690 59.2719 29.7080 178.5119 12 L 3.9749 7.8553 120.1713 57.9051 42.0375 178.4705 13 L 4.0405 8.3914 120.6607 58.3011 41.6098 178.9527 14 A 4.1958 8.1425 120.2642 54.6323 18.0202 179.6946 15 K 3.9874 7.6027 116.3016 59.2842 32.4882 178.9950 16 A 4.0985 8.3938 120.4448 53.4375 19.8049 177.6675 17 F 4.7105 8.3950 116.9154 54.8940 39.1518 174.0010 18 P 4.6221 0.0000 0.0000 63.6803 31.7607 178.5067 19 F 4.8065 8.1635 116.7043 57.3978 39.8044 174.9839 20 H 4.9897 8.4028 118.0302 55.8321 29.7497 174.2491 21 F 5.5400 8.7098 113.1529 55.4428 41.9772 172.9799 22 A 5.6766 9.3297 120.8221 49.2146 22.2207 175.1928 23 F 5.5671 7.8628 114.4055 55.4462 42.1569 174.0307 24 S 5.0399 8.9186 115.4699 56.7665 65.2450 174.9768 25 R 2.5888 7.4291 117.3563 59.1696 29.6203 177.9041 26 N 4.5034 7.9688 111.3871 53.0019 37.5084 175.4802 27 R 4.1220 8.4924 117.3951 57.0001 28.6533 175.0276 28 E 4.6682 8.2669 120.0997 55.5049 30.5582 175.5893 29 I 4.6450 8.8744 127.9467 61.6875 37.7100 176.8063 30 V 4.6374 8.7308 118.8617 61.4272 34.1169 175.5635 31 Q 4.8438 7.8592 120.2750 55.1671 32.3101 172.9434 32 T 5.1844 8.3731 113.7259 59.7077 72.3330 173.5588 33 G 3.9148 8.9540 110.6501 45.8267 0.0000 174.6512 34 E 4.0461 8.8976 119.1343 59.4015 29.4227 179.6919 35 V 3.3317 7.3357 118.6804 65.3576 31.3757 177.1925 36 L 3.8108 7.3088 120.3646 58.4304 41.5889 178.9617 37 E 4.0069 7.6559 115.9080 59.2547 29.6502 178.5616 38 R 4.0206 7.6186 118.9505 59.0149 30.2455 177.9093 39 I 4.1440 7.6908 110.5862 61.2274 38.4732 176.1331 40 S 4.4364 7.3613 116.1210 57.5097 62.9483 172.0677 41 P 4.3093 0.0000 0.0000 65.1175 31.3607 176.3455 42 E 4.5249 7.7323 117.1668 53.3071 31.0169 173.4998 43 P 4.2751 0.0000 0.0000 63.6862 31.7447 176.0188 44 L 4.1489 8.4496 120.6826 56.3047 42.6273 177.2603 45 V 3.9291 7.5968 118.6151 64.3297 31.6302 175.8710 46 G 4.3642 9.5050 116.6504 45.0314 0.0000 173.3404 47 K 4.5057 7.7783 119.2091 54.7839 34.0860 175.5253 48 L 4.8494 8.7546 121.0312 53.9452 42.8150 178.1993 49 I 3.6809 8.6593 125.1504 64.6664 37.0913 177.8094 50 E 4.4908 7.8836 113.7235 57.0419 29.7388 177.2991 51 Q 4.1274 7.9389 118.4063 57.8400 29.2447 176.0928 52 H 4.6140 8.6309 113.7262 55.0714 31.7026 173.3832 53 F 5.3793 8.0616 115.2370 55.5042 43.5061 173.6381 54 Q 4.7507 9.0894 121.8665 54.4264 32.3553 174.2559 55 I 4.6435 8.3141 125.8048 60.7538 37.6280 175.2531 56 N 4.6756 9.5036 125.8766 55.4498 39.4865 176.2780 57 R 4.7207 7.6090 116.3659 53.5645 34.6758 173.7767 58 P 4.5446 0.0000 0.0000 62.1942 32.8815 177.0302 59 K 4.3141 8.1458 118.7786 55.4717 30.4439 175.9871 60 I 4.6434 6.9928 112.2573 58.3633 41.0987 176.1751 61 L 4.2050 8.1604 120.7087 54.5997 42.0387 178.1591 62 I 4.0745 7.9945 122.2141 60.2825 36.3686 173.9166 63 D 4.8953 7.9827 122.7504 50.8805 45.2970 174.7065 64 F 4.1827 9.0019 128.3475 61.7073 39.5973 177.1086 65 D 4.7852 8.6555 119.1439 56.6509 40.5363 178.1254 66 A 4.0358 8.1628 120.3221 55.5800 18.4653 179.5298 67 I 4.0117 7.9664 118.3323 64.5155 37.2630 178.8732 68 S 4.0262 7.9957 115.2087 60.1937 62.5360 174.8880 69 K 4.4828 7.7834 121.6764 56.3481 35.4037 177.7844 70 Q 4.7075 7.6625 115.4968 55.6547 30.4143 174.1914 71 P 4.4615 0.0000 0.0000 64.9690 32.1933 178.3665 72 R 4.2884 7.8532 114.7466 56.5055 30.8495 176.6635 73 A 3.9043 7.3789 120.1788 52.0122 18.7619 176.7156 74 L 4.4612 8.1335 124.1178 54.0290 42.7120 176.0525 75 F 4.5433 9.4147 126.6298 57.0963 40.8251 174.9303 76 I 4.7291 8.9660 123.9200 59.5909 39.5097 174.6224 77 L 5.2178 9.1825 127.2940 52.8002 45.2852 174.9914 78 E 5.1597 9.2986 123.2006 54.4163 32.2994 174.6015 79 F 4.7974 9.4802 130.5470 57.6401 39.5848 175.9526 80 L 3.8562 8.4108 128.3083 58.0095 41.4495 178.6725 81 H 4.0241 7.2358 118.0543 58.3338 29.7832 175.2520 82 N 4.6958 7.3033 111.7969 51.3973 38.0382 174.6596 83 G 3.9417 8.2543 106.0063 46.2444 0.0000 174.0303 84 M 4.3273 8.5429 118.4176 55.6120 32.3803 175.2883 85 Q 5.2342 8.9075 120.4564 54.6163 31.5357 174.3369 86 L 5.2463 9.5744 124.2344 52.7778 45.2307 175.5233 87 K 5.0290 10.0006 121.8820 54.4995 35.8168 176.5438 88 G 4.1297 8.0228 108.1521 45.9040 0.0000 171.0941 89 Q 4.7995 7.4811 117.2653 55.1112 31.1256 175.0614 90 M 4.7479 8.5740 121.3280 54.0773 33.9300 175.2019 91 M 4.6170 8.6695 124.5617 53.4274 34.4640 174.6855 92 Y 4.4622 8.5960 125.8114 57.3511 40.6162 173.9100 93 Q 4.3210 8.9093 129.5620 53.3148 28.9468 173.8149 94 P 3.9261 0.0000 0.0000 64.4635 31.6523 178.0641 95 E 4.0493 8.2203 115.7046 58.9941 29.1691 177.8512 96 E 4.1410 8.0062 116.0567 55.6528 28.8672 175.8422 97 E 3.8904 8.0717 118.1045 57.8122 27.5529 173.9874 98 V 4.9174 7.3185 109.2139 59.6602 36.7171 175.1803 99 I 4.5602 7.6995 123.0341 59.5677 39.4676 174.7762 100 F 4.6727 8.7910 126.0808 56.2818 40.8804 174.7106 101 F 4.5893 9.1948 127.7182 57.1878 40.2102 174.6949 102 L 3.9852 7.9886 128.6247 53.0681 41.3345 175.9817 103 G 4.0613 7.9184 109.6562 44.0780 0.0000 169.4816 104 S 4.9355 8.7291 113.9436 55.6559 67.0373 171.6665 105 P 5.0225 0.0000 0.0000 62.3492 31.4238 175.7966 106 W 4.9860 9.1254 121.4361 55.1130 30.3981 176.4109 107 I 3.9775 8.0788 121.1794 61.6021 37.4320 175.4236 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 M 8.30 4.43 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 2 A 8.08 4.44 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 3 P 0.00 4.54 0.00 2.19 2.06 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 4 P 0.00 4.49 0.00 2.17 2.08 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 5 H 8.60 4.91 0.00 3.22 3.35 0.00 5.47 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 6 L 7.57 4.68 0.00 1.49 1.48 0.82 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.84 4.60 4.16 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 0.00 0.00 0.00 1.14 0.00 0.00 8 L 8.14 4.18 0.00 1.59 1.56 0.90 0.93 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 9 S 8.41 4.32 0.00 4.04 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 10 P 0.00 4.24 0.00 2.20 2.21 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 11 E 8.09 3.92 0.00 2.04 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 2.38 2.38 0.00 12 L 7.86 3.97 0.00 1.84 1.78 0.91 0.40 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 13 L 8.39 4.04 0.00 1.70 1.81 0.64 0.79 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 14 A 8.14 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 15 K 7.60 3.99 0.00 1.80 1.86 0.00 1.72 0.00 0.00 1.96 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.74 1.59 7.81 16 A 8.39 4.10 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 17 F 8.40 4.71 0.00 3.14 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 18 P 0.00 4.62 0.00 1.86 2.21 0.00 3.88 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.98 0.00 19 F 8.16 4.81 0.00 3.37 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 20 H 8.40 4.99 0.00 3.37 3.56 0.00 5.22 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.71 5.54 0.00 3.33 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 22 A 9.33 5.68 0.65 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 23 F 7.86 5.57 0.00 3.34 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 24 S 8.92 5.04 0.00 3.87 4.04 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 25 R 7.43 2.59 0.00 1.50 1.62 0.00 3.22 0.00 0.00 3.06 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.17 0.00 26 N 7.97 4.50 0.00 2.83 2.90 0.00 0.00 6.08 7.66 0.00 0.00 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 R 8.49 4.12 0.00 2.11 2.12 0.00 3.14 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 28 E 8.27 4.67 0.00 2.08 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 2.34 2.37 0.00 29 I 8.87 4.64 2.11 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 1.21 0.49 1.07 0.00 0.00 30 V 8.73 4.64 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 0.75 0.00 0.00 0.92 0.00 0.00 31 Q 7.86 4.84 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 32 T 8.37 5.18 4.28 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 1.29 0.00 0.00 33 G 8.95 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 34 E 8.90 4.05 0.00 2.16 2.21 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 2.55 2.30 0.00 35 V 7.34 3.33 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 0.77 0.00 0.00 0.76 0.00 0.00 36 L 7.31 3.81 0.00 1.71 1.75 0.45 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.66 4.01 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 38 R 7.62 4.02 0.00 1.85 2.15 0.00 3.26 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 39 I 7.69 4.14 2.05 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.01 1.05 0.00 0.00 40 S 7.36 4.44 0.00 4.22 4.02 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 41 P 0.00 4.31 0.00 1.98 2.02 0.00 3.48 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 42 E 7.73 4.52 0.00 1.91 1.84 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 2.23 2.28 0.00 43 P 0.00 4.28 0.00 2.21 2.07 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 44 L 8.45 4.15 0.00 1.74 1.72 1.02 0.81 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 45 V 7.60 3.93 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 0.80 0.00 0.00 0.96 0.00 0.00 46 G 9.50 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 4.51 0.00 2.13 1.79 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.32 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.54 1.50 7.81 48 L 8.75 4.85 0.00 1.84 1.85 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.66 3.68 1.68 0.00 0.00 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 1.07 0.63 0.48 0.00 0.00 50 E 7.88 4.49 0.00 2.06 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 2.25 2.22 0.00 51 Q 7.94 4.13 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 52 H 8.63 4.61 0.00 2.90 2.89 0.00 5.75 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.06 5.38 0.00 2.81 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 54 Q 9.09 4.75 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 55 I 8.31 4.64 1.93 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 1.41 0.74 1.08 0.00 0.00 56 N 9.50 4.68 0.00 2.68 2.90 0.00 0.00 6.83 7.55 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 57 R 7.61 4.72 0.00 1.53 1.61 0.00 3.25 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 58 P 0.00 4.54 0.00 2.04 1.86 0.00 2.93 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 59 K 8.15 4.31 0.00 1.75 1.82 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.35 7.81 60 I 6.99 4.64 1.92 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.75 0.91 0.00 0.00 61 L 8.16 4.20 0.00 1.67 1.67 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.99 4.07 1.87 0.00 0.00 0.77 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 0.63 0.91 0.00 0.00 63 D 7.98 4.90 0.00 2.81 2.49 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 64 F 9.00 4.18 0.00 3.36 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 65 D 8.66 4.79 0.00 2.80 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 66 A 8.16 4.04 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 67 I 7.97 4.01 1.80 0.00 0.00 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 1.65 0.83 0.60 0.00 0.00 68 S 8.00 4.03 0.00 3.46 3.54 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 69 K 7.78 4.48 0.00 1.93 1.90 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.73 1.52 7.81 70 Q 7.66 4.71 0.00 2.38 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 71 P 0.00 4.46 0.00 2.06 2.14 0.00 3.69 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 2.04 2.12 0.00 72 R 7.85 4.29 0.00 1.80 1.98 0.00 3.22 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 73 A 7.38 3.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.13 4.46 0.00 1.64 1.53 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 75 F 9.41 4.54 0.00 3.40 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 76 I 8.97 4.73 1.81 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.69 0.62 0.00 0.00 77 L 9.18 5.22 0.00 1.29 1.55 0.79 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 78 E 9.30 5.16 0.00 2.28 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 2.25 2.30 0.00 79 F 9.48 4.80 0.00 3.17 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 80 L 8.41 3.86 0.00 1.30 1.52 0.81 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.24 4.02 0.00 2.57 2.29 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 N 7.30 4.70 0.00 2.78 2.68 0.00 0.00 5.98 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 83 G 8.25 3.94 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 0.00 0.00 0.00 84 M 8.54 4.33 0.00 2.32 2.32 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 2.80 3.06 0.00 85 Q 8.91 5.23 0.00 2.43 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.89 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 86 L 9.57 5.25 0.00 1.76 1.93 1.29 0.67 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 87 K 10.00 5.03 0.00 1.43 1.28 0.00 1.40 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.37 7.81 88 G 8.02 4.13 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 0.00 0.00 0.00 89 Q 7.48 4.80 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 90 M 8.57 4.75 0.00 1.47 1.44 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.78 0.00 91 M 8.67 4.62 0.00 1.87 1.87 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 2.43 2.35 0.00 92 Y 8.60 4.46 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 93 Q 8.91 4.32 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 94 P 0.00 3.93 0.00 2.17 2.25 0.00 3.17 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 95 E 8.22 4.05 0.00 2.06 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 2.22 2.31 0.00 96 E 8.01 4.14 0.00 1.93 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 2.29 2.37 0.00 97 E 8.07 3.89 0.00 2.18 2.01 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 2.35 2.38 0.00 98 V 7.32 4.92 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 0.79 0.00 0.00 0.47 0.00 0.00 99 I 7.70 4.56 0.56 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.14 0.54 0.00 0.00 100 F 8.79 4.67 0.00 2.75 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 0.00 101 F 9.19 4.59 0.00 2.39 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 0.00 0.00 0.00 0.00 102 L 7.99 3.99 0.00 1.15 0.77 0.19 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 103 G 7.92 4.06 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 0.00 0.00 0.00 104 S 8.73 4.94 0.00 3.91 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 5.02 0.00 1.85 1.93 0.00 3.46 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.03 0.00 106 W 9.13 4.99 0.00 3.46 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 0.00 107 I 8.08 3.98 1.83 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 1.25 0.69 0.85 0.00 0.00