NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1B H 4.5750 8.3033 117.8211 54.7165 31.3362 172.5031 1C H 3.6505 8.7448 116.2459 56.9161 25.9592 172.6783 1D H 4.2034 8.7959 110.7659 56.8857 27.5357 174.6210 1E H 5.0638 8.0915 114.4756 53.8893 32.6381 172.8976 1F H 4.5961 8.9704 117.1259 56.1095 28.8492 174.3292 1G F 4.7510 8.4431 119.6235 57.8055 39.8911 174.4346 2 N 4.6434 8.4656 117.5111 52.2918 38.8467 174.5800 3 L 4.7202 8.0544 123.5542 52.1199 43.7669 174.8204 4 P 4.5013 0.0000 0.0000 61.5513 32.2644 174.3689 5 P 4.3293 0.0000 0.0000 62.8208 32.1086 174.4723 6 G 3.7533 8.2092 104.8859 44.2494 0.0000 171.9222 7 N 4.4472 7.9401 115.5445 51.7504 40.2980 173.6713 8 Y 4.7136 8.0526 115.2973 58.2613 38.6004 177.5741 9 K 4.0367 8.0552 122.9417 57.2810 31.6696 181.6281 10 K 4.6587 7.6324 116.1011 53.5613 34.5062 174.0108 11 P 4.9133 0.0000 0.0000 62.6985 32.5695 175.3582 12 K 4.7330 9.2400 119.9206 56.3557 36.7414 174.2387 13 L 4.9782 9.3507 120.6456 53.0988 44.4428 176.2145 14 L 4.9941 8.6225 122.8002 53.5686 43.3578 174.4211 15 Y 4.9319 9.4929 126.9913 56.3928 40.7091 173.5695 16 C 4.1831 8.4199 127.5703 56.4713 33.1815 173.7183 17 S 3.7589 8.8694 121.5702 62.0511 62.9014 177.4458 18 N 3.8420 6.8202 120.1213 54.8448 40.0357 175.5366 19 G 3.9673 7.1120 100.2618 43.9579 0.0000 171.8406 20 G 3.5555 7.6065 107.0388 44.9502 0.0000 173.2331 21 H 5.0140 7.3302 114.3888 53.6720 32.6703 174.2678 22 F 5.2725 9.0131 120.1150 55.7759 41.1251 175.3085 23 L 4.4965 9.1716 126.3789 55.5000 43.1991 175.5785 24 R 4.8621 10.2349 126.5375 54.5942 33.4124 174.1347 25 I 4.8435 8.2394 126.8111 59.4804 38.7512 175.6866 26 L 4.1920 9.1057 128.0358 53.3078 42.3633 177.0605 27 P 4.2239 0.0000 0.0000 65.5608 31.3222 177.3261 28 D 4.5509 8.0109 115.1887 53.3852 39.6232 177.1719 29 G 4.1946 8.3207 109.4819 45.4881 0.0000 173.8765 30 T 4.2927 8.3526 117.8807 63.1547 69.1079 173.6152 31 V 4.8461 8.2098 125.1319 61.1047 33.5045 174.2499 32 D 4.6087 9.0898 126.5050 52.7874 42.4342 173.9691 33 G 4.0906 8.5684 104.5685 45.2981 0.0000 172.4624 34 T 4.9891 9.1179 116.1532 60.3136 70.6933 174.9816 35 R 4.3879 8.9512 125.3986 57.8430 30.8341 176.3116 36 D 4.5133 8.2067 118.0297 53.6693 40.0862 176.4055 37 R 3.4117 8.6348 128.1259 58.6105 30.1375 177.2360 38 S 4.4119 8.5062 110.7200 57.9157 63.6196 173.9010 39 D 4.3081 7.8444 121.7757 55.4774 41.1586 175.9626 40 Q 4.3385 8.5033 123.5222 56.5218 29.1596 175.6437 41 H 4.9726 9.5356 116.5404 55.5222 29.4891 174.9605 42 I 4.5541 7.5489 111.2473 60.0702 38.7185 175.2468 43 Q 4.2412 7.8717 122.0479 55.7674 29.7743 174.7387 44 L 5.1958 8.8774 124.3809 52.8173 45.3949 175.4504 45 Q 4.8194 9.3635 125.3895 54.5886 30.5337 174.2969 46 L 5.1996 8.5540 126.8571 53.9341 43.5402 176.3388 47 S 4.5109 8.6315 115.1491 56.9396 66.7877 172.6029 48 A 4.5181 8.3079 122.9053 51.3710 20.1175 175.2075 49 E 4.1007 8.9706 121.4419 55.7626 30.4326 177.3204 50 S 4.7630 7.7486 112.2752 56.1140 66.0637 173.8207 51 V 3.8143 8.1959 121.5172 64.7955 31.6252 176.3622 52 G 3.8917 9.1920 114.7315 45.1704 0.0000 171.8739 53 E 5.2337 8.2497 120.0411 54.6498 32.0759 175.6393 54 V 4.9172 9.0189 116.6958 59.8909 36.7657 173.8184 55 Y 5.0703 8.8878 120.3796 56.5479 40.7322 175.2314 56 I 4.4437 8.6286 123.7111 59.5799 39.6108 173.7973 57 K 4.5083 8.7744 129.3352 54.3064 34.5213 175.2334 58 S 4.4762 8.6623 123.0495 58.1750 62.5612 174.7799 59 T 3.7598 8.5920 119.2124 64.9214 68.6591 175.8735 60 E 4.0529 8.3936 122.2842 58.6216 29.8538 177.1846 61 T 4.2751 8.1745 106.5235 60.8929 70.0335 175.6464 62 G 3.8415 8.2615 110.1184 45.2325 0.0000 173.7494 63 Q 4.4442 7.5720 118.6087 56.0695 30.3607 174.5586 64 Y 4.7933 8.8340 119.5655 55.8943 40.8269 175.2168 65 L 4.4966 8.9123 126.1568 55.4099 43.4562 175.5975 66 A 5.1971 8.9131 126.3255 50.7931 23.3632 174.3881 67 M 5.4043 8.6670 118.9879 53.8419 34.9497 175.4784 68 D 5.3693 9.6046 125.9719 51.8565 40.9063 177.2263 69 T 4.3617 8.5542 108.8202 64.1630 68.5724 174.5014 70 D 4.6415 8.4347 120.1528 53.9779 41.6385 177.0215 71 G 3.2385 8.8188 108.7354 45.1030 0.0000 173.0435 72 L 4.5847 8.0778 120.0506 53.5128 42.7451 175.9326 73 V 4.8024 8.2157 122.9777 62.6469 32.6382 174.3401 74 Y 4.8885 9.1178 124.7538 56.0061 42.1373 173.5476 75 G 4.1878 8.9284 108.1191 45.0926 0.0000 173.3147 76 S 5.0332 9.0490 121.9026 56.8871 63.7290 175.4218 77 Q 4.1932 9.0615 125.3473 58.2594 28.9033 176.3688 78 T 4.6580 7.7093 106.6027 58.7714 71.7991 171.5825 79 P 4.0681 0.0000 0.0000 61.6593 31.8838 174.7974 80 N 4.9889 8.1724 120.1200 51.1806 40.5619 174.3212 81 E 4.1805 8.8143 116.0047 59.6858 29.1761 178.7756 82 E 4.1244 8.8024 117.3644 57.7939 29.7624 177.5536 83 C 5.0367 8.0992 115.2529 59.0832 29.0781 173.3875 84 L 4.3480 7.0510 120.9155 53.7096 42.7915 175.8494 85 F 5.1620 8.9023 121.5848 55.5713 43.4074 174.5436 86 L 4.8194 9.1290 123.2902 53.8419 42.3382 175.6210 87 E 4.2809 8.7302 126.8604 55.4388 30.0224 175.8623 88 R 4.7967 8.5493 125.3935 54.0884 34.8975 174.6151 89 L 4.8007 8.6731 123.4768 55.1359 43.2374 175.7718 90 E 4.6789 8.9539 124.2001 55.2779 33.5210 174.9913 91 E 3.9941 9.6886 124.1777 57.6279 27.2579 174.1030 92 N 4.3239 8.5315 111.1121 54.1673 36.5210 174.1608 93 H 4.7770 8.5751 116.2386 57.6134 36.6039 173.2460 94 Y 4.6770 7.8187 115.9860 57.1733 40.5008 173.5945 95 N 5.5561 9.5537 118.1358 51.9837 41.1411 174.6633 96 T 5.2881 8.8067 112.8712 60.1493 72.8930 172.7105 97 Y 4.9266 8.7424 119.4686 56.6355 41.4061 174.1372 98 I 4.6740 8.4385 126.0265 59.1075 39.6018 175.5860 99 S 3.8504 8.8882 122.2802 58.6657 62.3979 174.0128 100 K 3.9045 8.7825 129.3314 59.4358 32.2980 178.5189 101 K 3.6632 7.9106 118.0245 59.2458 32.1568 176.9420 102 H 4.6758 7.9083 114.7581 54.9830 29.5113 176.3107 103 A 3.9701 7.7293 125.8341 55.3295 18.2486 180.8785 104 E 4.0021 8.0176 112.0204 58.5821 29.7021 177.6671 105 K 4.0945 7.5396 117.0996 55.4275 32.8983 175.6866 106 N 3.8163 7.5707 115.6200 53.8989 36.3718 174.9051 107 W 5.0950 7.6322 117.8228 55.9423 30.8560 177.3987 108 F 5.4649 9.0908 123.8405 55.4664 41.2438 175.2259 109 L 4.4434 9.1214 123.4047 55.0621 43.1164 175.9198 110 G 4.4401 8.6410 111.2282 45.1780 0.0000 171.2907 111 L 5.1058 8.3170 121.0464 52.4314 44.4454 177.3410 112 K 4.2179 8.9740 123.7867 55.5534 32.8804 178.2006 113 K 3.9876 8.5719 120.2530 59.7211 31.9323 178.0841 114 N 4.4466 8.0002 113.3716 53.5078 37.8503 175.8091 115 G 3.5120 8.7859 109.1684 45.1563 0.0000 173.1575 116 S 4.9320 8.3187 114.8943 56.4620 64.8776 173.5731 117 C 4.8015 8.2849 119.5490 59.9829 28.6110 173.6735 118 K 4.3569 8.6223 121.5723 56.1290 33.1837 176.5114 119 R 4.3351 8.3093 120.6984 54.8911 31.6820 177.6430 120 G 3.4288 8.7291 114.4316 48.0866 0.0000 174.0357 121 P 4.3079 0.0000 0.0000 64.4556 31.4154 176.9579 122 R 4.4448 7.8388 117.4555 56.0013 30.1947 175.9081 123 T 4.8618 7.2835 108.5213 60.5925 70.9770 173.6332 124 H 4.9678 8.6847 118.4779 54.6451 33.2046 173.1544 125 Y 3.9537 8.5160 120.0913 59.8485 38.1444 177.1481 126 G 4.0253 9.0426 111.5040 45.2555 0.0000 173.6046 127 Q 4.3322 7.5350 119.0139 54.8114 29.8227 177.1758 128 K 3.9034 8.3606 120.1677 58.5396 32.7104 179.2722 129 A 3.9107 7.7897 122.0329 54.4356 18.4108 178.5755 130 I 4.3402 6.7354 105.6737 60.5876 38.0635 175.5753 131 L 4.2771 7.1720 123.1968 54.1186 42.4944 175.8455 132 F 5.1705 9.3207 122.5703 55.5812 43.3078 174.4481 133 L 5.3421 9.4337 121.0745 52.4148 44.9575 174.0447 134 P 5.1495 0.0000 0.0000 62.5274 32.2646 175.6338 135 L 5.0002 9.2427 123.9250 51.9815 45.5444 174.4377 136 P 4.7071 0.0000 0.0000 62.4315 32.3857 177.0690 137 V 3.7637 8.1885 114.4735 61.8010 31.6088 176.3312 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 1B H 8.30 4.57 0.00 3.09 3.58 0.00 5.75 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1C H 8.74 3.65 0.00 3.36 3.26 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 1D H 8.80 4.20 0.00 3.26 3.33 0.00 5.65 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 8.09 5.06 0.00 3.33 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.97 4.60 0.00 3.34 3.43 0.00 5.66 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 1G F 8.44 4.75 0.00 2.82 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 2 N 8.47 4.64 0.00 2.95 2.79 0.00 0.00 6.90 6.74 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 3 L 8.05 4.72 0.00 1.49 1.42 0.63 0.33 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 4 P 0.00 4.50 0.00 2.16 2.16 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.89 0.00 5 P 0.00 4.33 0.00 2.17 2.07 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 6 G 8.21 3.75 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 0.00 0.00 0.00 7 N 7.94 4.45 0.00 2.61 2.63 0.00 0.00 5.88 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 8 Y 8.05 4.71 0.00 3.08 3.25 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 9 K 8.06 4.04 0.00 1.81 1.76 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.32 7.81 10 K 7.63 4.66 0.00 1.73 1.76 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.37 7.81 11 P 0.00 4.91 0.00 1.95 1.98 0.00 3.96 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 2.02 1.96 0.00 12 K 9.24 4.73 0.00 1.94 1.89 0.00 1.34 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.49 7.81 13 L 9.35 4.98 0.00 1.75 1.79 0.65 0.46 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 14 L 8.62 4.99 0.00 1.50 1.51 0.31 0.81 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 15 Y 9.49 4.93 0.00 3.14 3.12 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 16 C 8.42 4.18 0.00 2.17 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 17 S 8.87 3.76 0.00 3.86 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 18 N 6.82 3.84 0.00 2.62 2.72 0.00 0.00 6.65 7.98 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 19 G 7.11 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 20 G 7.61 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 21 H 7.33 5.01 0.00 3.03 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 9.01 5.27 0.00 3.13 3.07 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 0.00 0.00 0.00 23 L 9.17 4.50 0.00 1.82 1.54 0.95 0.36 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 24 R 10.23 4.86 0.00 1.97 2.08 0.00 3.21 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.80 0.00 25 I 8.24 4.84 1.83 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 1.18 0.73 0.88 0.00 0.00 26 L 9.11 4.19 0.00 1.76 1.53 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.22 0.00 2.00 2.06 0.00 3.56 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 28 D 8.01 4.55 0.00 2.79 2.76 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 29 G 8.32 4.19 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 0.00 30 T 8.35 4.29 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 1.23 0.00 0.00 31 V 8.21 4.85 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 0.86 0.00 0.00 0.92 0.00 0.00 32 D 9.09 4.61 0.00 2.84 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 33 G 8.57 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 9.12 4.99 4.33 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 1.36 0.00 0.00 35 R 8.95 4.39 0.00 1.91 2.04 0.00 3.25 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 36 D 8.21 4.51 0.00 2.83 2.65 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 37 R 8.63 3.41 0.00 1.81 1.86 0.00 3.33 0.00 0.00 3.03 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.53 0.00 38 S 8.51 4.41 0.00 3.93 3.92 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 39 D 7.84 4.31 0.00 2.75 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 40 Q 8.50 4.34 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.20 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 41 H 9.54 4.97 0.00 3.28 3.44 0.00 5.78 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 42 I 7.55 4.55 1.91 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.92 1.02 0.00 0.00 43 Q 7.87 4.24 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 44 L 8.88 5.20 0.00 1.62 1.44 0.80 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.36 4.82 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 46 L 8.55 5.20 0.00 1.76 1.50 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.63 4.51 0.00 3.89 3.93 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 48 A 8.31 4.52 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 49 E 8.97 4.10 0.00 1.78 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 2.32 0.00 50 S 7.75 4.76 0.00 3.95 3.80 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 51 V 8.20 3.81 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 0.93 0.00 0.00 1.04 0.00 0.00 52 G 9.19 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 53 E 8.25 5.23 0.00 2.13 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 2.22 2.29 0.00 54 V 9.02 4.92 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 0.67 0.00 0.00 1.16 0.00 0.00 55 Y 8.89 5.07 0.00 2.96 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 56 I 8.63 4.44 1.72 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.75 0.68 0.00 0.00 57 K 8.77 4.51 0.00 1.34 1.58 0.00 0.91 0.00 0.00 1.35 0.00 0.00 2.69 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.00 0.63 7.81 58 S 8.66 4.48 0.00 3.84 3.75 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 59 T 8.59 3.76 4.20 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 1.17 0.00 0.00 60 E 8.39 4.05 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 61 T 8.17 4.28 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 1.17 0.00 0.00 62 G 8.26 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 0.00 0.00 0.00 63 Q 7.57 4.44 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.72 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 64 Y 8.83 4.79 0.00 2.94 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 65 L 8.91 4.50 0.00 1.72 1.49 0.80 0.40 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 66 A 8.91 5.20 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.67 5.40 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.63 0.00 68 D 9.60 5.37 0.00 3.00 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 69 T 8.55 4.36 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 1.33 0.00 0.00 70 D 8.43 4.64 0.00 2.76 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.82 3.24 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 0.00 72 L 8.08 4.58 0.00 2.02 1.61 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.22 4.80 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 0.86 0.00 0.00 1.01 0.00 0.00 74 Y 9.12 4.89 0.00 3.03 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 75 G 8.93 4.19 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 0.00 76 S 9.05 5.03 0.00 3.78 3.86 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 77 Q 9.06 4.19 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.71 4.66 4.17 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 1.22 0.00 0.00 79 P 0.00 4.07 0.00 1.28 0.49 0.00 3.46 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 1.47 1.08 0.00 80 N 8.17 4.99 0.00 2.90 2.92 0.00 0.00 6.21 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 81 E 8.81 4.18 0.00 2.01 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 2.37 2.33 0.00 82 E 8.80 4.12 0.00 2.19 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 0.00 2.38 2.45 0.00 83 C 8.10 5.04 0.00 3.26 3.26 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 84 L 7.05 4.35 0.00 1.47 1.30 0.76 -0.17 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 85 F 8.90 5.16 0.00 3.11 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 9.13 4.82 0.00 1.51 1.61 0.93 0.82 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 87 E 8.73 4.28 0.00 2.10 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 2.17 1.90 0.00 88 R 8.55 4.80 0.00 1.75 1.79 0.00 3.11 0.00 0.00 2.84 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 89 L 8.67 4.80 0.00 1.60 1.69 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.95 4.68 0.00 2.25 1.86 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 2.30 2.45 0.00 91 E 9.69 3.99 0.00 2.38 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 2.28 2.40 0.00 92 N 8.53 4.32 0.00 2.84 2.89 0.00 0.00 6.85 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 93 H 8.58 4.78 0.00 2.86 3.01 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.82 4.68 0.00 3.02 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 95 N 9.55 5.56 0.00 3.06 2.70 0.00 0.00 6.96 7.05 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 96 T 8.81 5.29 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 1.35 0.00 0.00 97 Y 8.74 4.93 0.00 2.80 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 98 I 8.44 4.67 1.67 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.26 0.66 0.00 0.00 99 S 8.89 3.85 0.00 3.94 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 0.00 100 K 8.78 3.90 0.00 1.65 1.62 0.00 1.57 0.00 0.00 1.41 0.00 0.00 2.65 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.22 1.16 7.81 101 K 7.91 3.66 0.00 1.56 1.57 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.05 1.30 7.81 102 H 7.91 4.68 0.00 3.11 2.28 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.73 3.97 1.36 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 0.00 104 E 8.02 4.00 0.00 1.98 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 2.11 2.16 0.00 105 K 7.54 4.09 0.00 0.79 1.43 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.49 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.04 0.94 7.81 106 N 7.57 3.82 0.00 2.97 2.93 0.00 0.00 6.90 6.98 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 0.00 107 W 7.63 5.10 0.00 3.28 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 0.00 108 F 9.09 5.46 0.00 2.86 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 0.00 109 L 9.12 4.44 0.00 1.63 1.60 0.81 0.32 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 0.00 110 G 8.64 4.44 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 0.00 111 L 8.32 5.11 0.00 1.34 1.46 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.97 4.22 0.00 2.01 1.68 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.42 7.81 113 K 8.57 3.99 0.00 1.71 1.87 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.53 7.81 114 N 8.00 4.45 0.00 2.79 2.92 0.00 0.00 6.20 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 0.00 115 G 8.79 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.32 4.93 0.00 3.96 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 0.00 117 C 8.28 4.80 0.00 2.89 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 0.00 118 K 8.62 4.36 0.00 1.64 1.70 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.38 7.81 119 R 8.31 4.34 0.00 1.62 1.60 0.00 3.06 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 120 G 8.73 3.43 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 0.00 121 P 0.00 4.31 0.00 2.09 2.26 0.00 2.82 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 1.69 1.60 0.00 122 R 7.84 4.44 0.00 1.88 1.96 0.00 3.31 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 123 T 7.28 4.86 4.33 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 1.38 0.00 0.00 124 H 8.68 4.97 0.00 3.21 3.28 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.52 3.95 0.00 3.07 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 0.00 126 G 9.04 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 0.00 127 Q 7.54 4.33 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 128 K 8.36 3.90 0.00 1.63 1.65 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.28 7.81 129 A 7.79 3.91 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 0.00 130 I 6.74 4.34 1.63 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 1.18 0.81 0.62 0.00 0.00 131 L 7.17 4.28 0.00 1.04 0.56 0.39 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.32 5.17 0.00 3.39 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 0.00 133 L 9.43 5.34 0.00 1.89 1.74 1.18 0.97 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 0.00 134 P 0.00 5.15 0.00 2.16 2.20 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 135 L 9.24 5.00 0.00 1.63 1.61 1.07 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.71 0.00 1.93 1.98 0.00 3.69 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 2.03 2.12 0.00 137 V 8.19 3.76 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 0.65 0.00 0.00 0.91 0.00 0.00