NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4806 8.3044 120.3275 55.5946 33.4532 173.6431 2 L 4.3618 7.2706 119.7243 52.2550 44.7870 172.3672 3 M 3.5463 7.8321 120.6403 53.9687 33.3211 172.4940 4 P 4.5172 0.0000 0.0000 63.2676 31.9813 176.4656 5 R 4.2075 8.6404 118.5342 58.0749 30.8040 176.4621 6 R 4.7643 7.1155 113.1469 55.0103 33.3448 174.5829 7 M 4.4190 7.7889 113.3529 55.2352 35.3885 175.7998 8 K 3.9542 8.9691 122.6278 58.4772 32.6899 177.1839 9 Y 4.6136 7.6852 115.2188 55.7908 40.8946 175.5174 10 R 4.0992 8.8879 125.1157 58.2116 30.6316 176.5209 11 K 4.7443 7.8942 115.4060 54.3793 35.3799 175.1816 12 Q 4.5710 8.1351 118.4783 54.2770 31.6096 174.8084 13 Q 4.1655 8.4301 118.8445 55.8526 28.9785 176.2201 14 R 4.0270 8.2385 119.8875 57.3997 30.5626 179.8537 15 G 3.9786 8.6210 106.8036 45.0565 0.0000 171.9617 16 R 4.5089 7.9515 116.6598 54.5509 33.0244 174.1186 17 L 4.3468 8.2270 124.1815 53.8231 42.6030 176.2978 18 K 4.7195 8.2187 122.8342 54.1229 35.5737 176.1248 19 G 3.7035 8.2452 107.9700 46.6472 0.0000 172.6313 20 A 3.8047 8.9865 123.6675 52.4056 17.0637 176.5115 21 T 4.6096 8.2908 106.0575 63.0781 74.7427 174.2454 22 K 4.3939 8.7362 122.9290 55.5752 32.1426 175.6016 23 G 3.9151 8.0264 102.7081 47.2603 0.0000 171.5376 24 G 3.7989 8.0739 104.1268 47.0252 0.0000 174.1180 25 D 5.5909 8.5604 114.1777 52.0982 40.2485 174.6287 26 Y 5.3476 7.0295 116.6801 54.9854 42.9283 176.4897 27 V 3.5071 9.5682 121.2347 63.1809 30.1492 176.1741 28 A 4.1006 9.8553 123.7420 51.6049 17.7483 178.8808 29 F 4.4398 7.6343 110.1367 58.3031 42.6112 180.8983 30 G 4.0208 7.8567 119.9303 45.9931 0.0000 173.0275 31 D 4.7913 9.0825 118.6673 54.8781 43.8858 176.5701 32 Y 4.8526 8.0985 114.0865 56.1104 42.5991 174.8284 33 G 4.5350 9.0316 108.3340 44.5177 0.0000 170.7607 34 L 5.5745 8.8559 121.6868 53.0416 44.8959 175.6117 35 V 5.4814 9.5375 124.7721 58.6027 35.3918 174.5710 36 A 4.5035 8.5410 123.5872 52.0721 19.3259 177.8799 37 L 4.4240 8.6249 120.8419 55.3051 43.6985 176.9570 38 E 4.8772 8.0309 116.5891 53.6532 32.0049 174.5838 39 P 4.6924 0.0000 0.0000 63.1918 33.1456 175.6943 40 A 4.2310 8.1864 120.5156 51.8351 24.3816 174.6657 41 W 4.8955 9.0061 116.8292 55.5936 31.1882 175.3745 42 I 4.5808 8.1461 126.5808 59.6618 39.0763 176.3797 43 T 4.4938 8.3687 115.8631 60.6168 70.3428 175.4758 44 A 3.9830 8.4971 124.4209 55.3064 18.2803 179.9048 45 Q 3.9442 8.1374 115.5797 59.8516 28.5726 178.7154 46 Q 4.0086 8.2315 120.7655 59.2596 28.7404 178.8057 47 I 3.8644 7.7948 119.7769 64.0324 36.9671 177.5609 48 E 3.8903 9.0108 119.7282 59.8967 29.2030 179.3722 49 A 3.9759 8.6732 120.4002 55.3055 18.2079 179.3252 50 A 3.7965 7.9427 118.6233 55.0623 18.7904 179.6348 51 R 3.3737 8.1771 116.9849 60.1358 30.1247 177.7655 52 V 3.5774 8.5670 117.8933 64.2873 31.1839 177.1071 53 A 3.7012 7.1690 121.5934 55.7169 18.5021 179.1622 54 M 3.6303 8.2573 117.1424 58.9450 32.5382 178.5392 55 V 2.7820 7.5845 118.9253 64.2836 31.4347 178.1666 56 R 3.7628 8.0224 118.4733 59.5566 30.0633 177.6713 57 H 4.1064 7.6153 116.3482 58.2727 30.7316 175.7267 58 F 5.0067 7.3718 115.5947 55.7378 37.7500 175.6231 59 R 3.9441 7.7352 114.9567 58.9079 29.7146 176.5648 60 R 3.9581 8.9857 119.1494 56.7288 27.2720 176.6800 61 G 3.7440 7.9768 108.2700 44.2045 0.0000 176.0696 62 G 3.8664 7.7366 109.8021 45.2015 0.0000 172.3583 63 K 4.5746 8.3334 122.9991 54.7320 34.6157 176.0752 64 I 4.9501 8.3047 127.0716 59.7007 39.7999 174.8527 65 F 4.8169 9.4675 125.5481 55.6074 41.3456 175.0905 66 I 4.1258 8.5324 118.6642 60.5530 37.3546 176.1654 67 R 4.2522 8.5114 126.4691 56.6772 30.3447 176.4583 68 I 4.3960 6.9912 112.6460 58.8108 39.7623 175.2769 69 F 4.7698 8.4241 124.1598 55.6809 41.1627 172.4431 70 P 4.3473 0.0000 0.0000 63.7212 31.3115 175.2124 71 D 4.4695 7.8869 116.5209 53.2343 41.9238 175.1657 72 K 4.3585 7.8751 122.5621 54.0815 33.8842 173.6180 73 P 3.6259 0.0000 0.0000 62.7740 32.0370 175.3635 74 Y 4.5995 8.0934 126.5941 57.1832 39.8457 174.9009 75 T 4.9274 7.9808 122.8046 60.8733 71.4778 173.9617 76 K 4.2411 7.7330 121.5881 55.9839 34.6707 174.6309 77 K 4.1279 8.8371 127.1997 55.3849 32.7394 174.8332 78 P 4.2815 0.0000 0.0000 62.8981 31.8190 175.9012 79 L 4.2906 8.1764 121.0567 54.9638 43.6479 175.9697 80 E 3.8361 8.6464 120.6654 56.6099 26.5963 175.1068 81 V 4.4262 6.9927 115.3363 60.2371 34.8343 175.9570 82 R 4.2150 8.2676 122.2823 55.6881 31.3570 175.5465 83 M 4.2811 8.2175 118.8960 56.1856 32.0756 177.0457 84 G 3.7010 8.3301 106.0693 46.1499 0.0000 174.6927 85 K 3.9873 9.5400 121.1033 57.3413 29.9814 176.6205 86 G 3.8829 7.5751 105.3733 44.5985 0.0000 172.1395 87 K 4.4744 8.2154 123.6790 55.5791 33.3250 175.8488 88 G 4.1630 8.3085 105.6572 43.6947 0.0000 171.5269 89 N 4.7701 8.1083 116.2106 51.8975 40.6631 175.0596 90 V 3.8775 8.1523 120.4034 63.5644 31.9738 174.7295 91 E 4.3733 9.1316 126.5765 57.5769 30.5260 175.9917 92 G 4.0954 7.5441 109.0222 45.8349 0.0000 170.0984 93 Y 5.1191 8.7151 118.8117 56.9549 43.3307 174.4153 94 V 4.8615 8.3396 111.8509 60.1304 36.8683 173.7498 95 A 4.8411 8.4097 123.9148 49.8753 21.4901 175.7795 96 V 4.1256 8.6008 123.3016 63.4339 32.0958 175.1482 97 V 4.4835 8.5705 128.6778 61.1623 33.4481 174.7239 98 K 5.0242 8.3616 125.1858 53.5052 36.6468 173.8539 99 P 4.4425 0.0000 0.0000 64.5730 31.8005 177.1800 100 G 3.9809 9.1140 111.0962 45.0047 0.0000 172.8574 101 R 4.5209 7.5911 120.8868 55.2003 30.8354 175.4891 102 V 4.1679 8.4465 126.1774 62.6208 31.5312 175.5694 103 M 4.0275 8.8890 128.1652 57.9313 32.8331 176.6112 104 F 5.5091 8.0446 115.0484 56.4439 44.3115 172.8300 105 E 5.2398 9.2181 116.8683 55.5002 33.1259 174.6842 106 V 5.2183 8.8250 114.7665 60.0369 35.3309 174.5164 107 A 4.7433 8.6994 123.0004 51.3220 22.6436 174.7278 108 G 3.8098 9.4724 111.0405 44.6039 0.0000 172.7679 109 V 4.1178 6.8900 118.0226 62.2345 34.8789 172.3677 110 T 3.9731 7.9776 118.4696 61.5124 68.2597 174.5064 111 E 3.3284 8.9443 128.6044 59.5667 28.5069 178.6963 112 E 3.8724 7.9860 118.8831 59.6489 29.4730 179.0766 113 Q 4.0787 8.2671 117.6737 58.8174 29.0549 178.1057 114 A 3.9849 7.7485 121.2008 55.5766 18.2225 179.1446 115 M 4.2216 8.2551 114.6888 56.9178 32.3251 177.3084 116 E 4.3439 7.3718 119.6995 57.8096 30.8849 177.2697 117 A 3.7752 8.0574 121.0686 55.3007 18.4516 179.6388 118 L 3.9001 7.7660 116.8467 57.8597 41.4506 179.3941 119 R 3.9028 8.0006 117.2566 59.7030 29.7684 178.1974 120 I 3.9126 7.7087 118.6686 64.2792 37.2314 177.8830 121 A 4.3024 7.9277 121.9196 55.5069 18.0051 179.8935 122 G 3.6792 8.1802 103.6301 48.2660 0.0000 175.3018 123 H 4.2375 9.0783 118.3680 58.3410 28.8432 177.4909 124 K 4.1491 8.0452 119.8762 57.9377 32.2899 177.7391 125 L 4.3321 7.0668 119.1332 53.7632 42.2067 175.8541 126 P 4.4385 0.0000 0.0000 63.5110 31.9692 175.8371 127 I 4.6668 6.9298 112.1762 58.7277 40.6278 175.2128 128 K 4.4907 8.3620 121.3477 56.7368 33.2532 176.1771 129 T 5.1135 8.2641 111.7108 60.4364 72.3853 172.4769 130 K 4.6957 9.4120 123.0000 54.6836 35.7445 175.0039 131 I 4.9312 8.3877 125.6295 59.9424 38.9400 175.5559 132 V 4.1432 8.5665 121.0219 61.7734 33.8605 178.3799 133 R 3.8915 8.6116 122.0602 56.3281 28.7373 177.7145 134 R 3.8295 9.1699 125.5659 57.2208 37.0103 176.1373 135 D 3.9295 8.6323 109.7409 56.1774 39.2162 178.0744 136 A 4.3910 9.1449 115.8422 52.5995 18.7671 178.5967 137 Y 4.4025 7.8078 114.6443 59.5182 37.9416 175.5272 138 D 4.3845 7.9189 121.0133 54.3947 41.0554 172.2229 139 E 3.5864 9.8907 131.3604 56.4218 27.4323 175.5522 140 A 4.2756 7.7932 127.5667 51.1026 19.8872 175.9481 141 Q 4.2360 7.6680 124.1772 55.5515 28.9972 176.6028 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 4.48 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 2 L 7.27 4.36 0.00 1.66 1.48 1.17 0.75 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 3 M 7.83 3.55 0.00 1.73 1.21 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 4 P 0.00 4.52 0.00 2.37 2.10 0.00 2.72 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.91 0.00 5 R 8.64 4.21 0.00 1.84 2.02 0.00 3.16 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 6 R 7.12 4.76 0.00 1.77 1.85 0.00 3.24 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 7 M 7.79 4.42 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 8 K 8.97 3.95 0.00 1.63 1.46 0.00 1.78 0.00 0.00 1.94 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.54 7.81 9 Y 7.69 4.61 0.00 2.91 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.89 4.10 0.00 1.79 1.98 0.00 3.18 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 11 K 7.89 4.74 0.00 1.75 1.64 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.38 7.81 12 Q 8.14 4.57 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.15 2.31 0.00 13 Q 8.43 4.17 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.09 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 14 R 8.24 4.03 0.00 1.91 2.13 0.00 3.36 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.88 0.00 15 G 8.62 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 0.00 0.00 0.00 16 R 7.95 4.51 0.00 1.68 1.72 0.00 3.19 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 17 L 8.23 4.35 0.00 1.58 1.53 0.75 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.22 4.72 0.00 1.70 1.72 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.32 7.81 19 G 8.25 3.70 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 0.00 0.00 0.00 20 A 8.99 3.80 1.37 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 0.00 0.00 21 T 8.29 4.61 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 1.31 0.00 0.00 22 K 8.74 4.39 0.00 1.90 2.04 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.51 7.81 23 G 8.03 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 0.00 0.00 0.00 24 G 8.07 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 0.00 0.00 0.00 25 D 8.56 5.59 0.00 2.91 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 26 Y 7.03 5.35 0.00 3.35 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 27 V 9.57 3.51 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 0.70 0.00 0.00 0.10 0.00 0.00 28 A 9.86 4.10 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 7.63 4.44 0.00 2.37 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.86 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 0.00 0.00 0.00 31 D 9.08 4.79 0.00 2.80 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 32 Y 8.10 4.85 0.00 2.89 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 33 G 9.03 4.54 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 0.00 0.00 0.00 34 L 8.86 5.57 0.00 1.88 1.70 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 35 V 9.54 5.48 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 1.22 0.00 0.00 0.96 0.00 0.00 36 A 8.54 4.50 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.62 4.42 0.00 1.59 1.72 0.95 0.85 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 38 E 8.03 4.88 0.00 1.81 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 2.19 2.26 0.00 39 P 0.00 4.69 0.00 2.02 2.02 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 40 A 8.19 4.23 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 41 W 9.01 4.90 0.00 3.11 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 42 I 8.15 4.58 1.88 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 1.32 0.55 0.94 0.00 0.00 43 T 8.37 4.49 4.24 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 1.14 0.00 0.00 44 A 8.50 3.98 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 45 Q 8.14 3.94 0.00 2.28 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 46 Q 8.23 4.01 0.00 2.34 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 47 I 7.79 3.86 2.14 0.00 0.00 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 1.47 1.09 1.10 0.00 0.00 48 E 9.01 3.89 0.00 2.07 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 2.33 2.41 0.00 49 A 8.67 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.94 3.80 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.18 3.37 0.00 1.90 2.09 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 52 V 8.57 3.58 2.22 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 0.90 0.00 0.00 0.93 0.00 0.00 53 A 7.17 3.70 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 54 M 8.26 3.63 0.00 1.89 1.84 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 55 V 7.58 2.78 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 0.69 0.00 0.00 0.97 0.00 0.00 56 R 8.02 3.76 0.00 1.71 1.98 0.00 3.32 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 57 H 7.62 4.11 0.00 3.05 3.37 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 7.37 5.01 0.00 3.10 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 59 R 7.74 3.94 0.00 1.96 2.03 0.00 3.11 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 60 R 8.99 3.96 0.00 2.03 2.15 0.00 3.20 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 61 G 7.98 3.74 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 0.00 0.00 0.00 62 G 7.74 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 63 K 8.33 4.57 0.00 1.71 1.57 0.00 1.40 0.00 0.00 0.81 0.00 0.00 2.49 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.78 1.15 7.81 64 I 8.30 4.95 1.94 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 1.63 0.98 1.03 0.00 0.00 65 F 9.47 4.82 0.00 2.75 2.81 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 0.00 0.00 0.00 66 I 8.53 4.13 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.86 1.23 0.00 0.00 67 R 8.51 4.25 0.00 1.68 1.99 0.00 2.97 0.00 0.00 3.04 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.16 0.00 68 I 6.99 4.40 1.77 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.53 0.73 0.00 0.00 69 F 8.42 4.77 0.00 2.78 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.35 0.00 2.03 1.90 0.00 3.49 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.70 0.00 71 D 7.89 4.47 0.00 2.68 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 72 K 7.88 4.36 0.00 1.70 1.55 0.00 1.49 0.00 0.00 0.81 0.00 0.00 3.26 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.98 1.21 7.81 73 P 0.00 3.63 0.00 1.78 1.64 0.00 3.61 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 1.89 0.00 74 Y 8.09 4.60 0.00 2.84 2.81 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 0.00 0.00 0.00 75 T 7.98 4.93 4.15 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 1.15 0.00 0.00 76 K 7.73 4.24 0.00 1.39 1.35 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.18 1.21 7.81 77 K 8.84 4.13 0.00 1.75 1.71 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.44 7.81 78 P 0.00 4.28 0.00 2.01 2.00 0.00 3.64 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 79 L 8.18 4.29 0.00 1.58 1.54 0.91 0.97 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 80 E 8.65 3.84 0.00 2.10 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 2.22 2.27 0.00 81 V 6.99 4.43 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 0.70 0.00 0.00 0.92 0.00 0.00 82 R 8.27 4.21 0.00 1.82 1.95 0.00 3.20 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 83 M 8.22 4.28 0.00 2.00 2.02 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 2.60 2.48 0.00 84 G 8.33 3.70 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 0.00 0.00 0.00 85 K 9.54 3.99 0.00 1.92 1.92 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.36 7.81 86 G 7.58 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 0.00 0.00 0.00 87 K 8.22 4.47 0.00 1.71 1.67 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.41 7.81 88 G 8.31 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 0.00 0.00 0.00 0.00 89 N 8.11 4.77 0.00 2.69 2.70 0.00 0.00 6.45 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 90 V 8.15 3.88 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 0.64 0.00 0.00 0.81 0.00 0.00 91 E 9.13 4.37 0.00 1.67 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 2.10 2.11 0.00 92 G 7.54 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 93 Y 8.72 5.12 0.00 2.82 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 94 V 8.34 4.86 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 0.17 0.00 0.00 0.18 0.00 0.00 95 A 8.41 4.84 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 96 V 8.60 4.13 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 0.96 0.00 0.00 1.20 0.00 0.00 97 V 8.57 4.48 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 1.01 0.00 0.00 0.91 0.00 0.00 98 K 8.36 5.02 0.00 1.77 1.70 0.00 1.75 0.00 0.00 2.15 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.45 7.81 99 P 0.00 4.44 0.00 2.04 2.19 0.00 3.64 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 2.02 2.10 0.00 100 G 9.11 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 0.00 0.00 0.00 101 R 7.59 4.52 0.00 1.94 1.92 0.00 3.11 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 102 V 8.45 4.17 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 0.86 0.00 0.00 1.00 0.00 0.00 103 M 8.89 4.03 0.00 1.63 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.42 0.00 104 F 8.04 5.51 0.00 2.96 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 0.00 105 E 9.22 5.24 0.00 2.24 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 2.04 2.02 0.00 106 V 8.82 5.22 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 0.90 0.00 0.00 1.10 0.00 0.00 107 A 8.70 4.74 1.49 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 0.00 0.00 108 G 9.47 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 109 V 6.89 4.12 1.87 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 0.61 0.00 0.00 0.42 0.00 0.00 110 T 7.98 3.97 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 1.20 0.00 0.00 111 E 8.94 3.33 0.00 2.04 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 2.32 2.36 0.00 112 E 7.99 3.87 0.00 2.07 1.93 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 2.32 2.38 0.00 113 Q 8.27 4.08 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 114 A 7.75 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 M 8.26 4.22 0.00 1.94 2.16 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 116 E 7.37 4.34 0.00 2.41 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 2.26 2.27 0.00 117 A 8.06 3.78 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 0.00 118 L 7.77 3.90 0.00 1.80 1.75 1.04 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.00 3.90 0.00 1.94 2.12 0.00 3.25 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 120 I 7.71 3.91 1.90 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 1.66 0.88 0.88 0.00 0.00 121 A 7.93 4.30 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.18 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 0.00 0.00 0.00 123 H 9.08 4.24 0.00 3.19 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.05 4.15 0.00 1.84 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.60 7.81 125 L 7.07 4.33 0.00 2.02 1.62 1.08 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.44 0.00 2.19 2.18 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 127 I 6.93 4.67 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.76 0.92 0.00 0.00 128 K 8.36 4.49 0.00 1.70 1.76 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.38 7.81 129 T 8.26 5.11 4.34 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 1.35 0.00 0.00 130 K 9.41 4.70 0.00 1.80 1.70 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.41 7.81 131 I 8.39 4.93 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.83 1.08 0.00 0.00 132 V 8.57 4.14 2.23 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 0.94 0.00 0.00 0.94 0.00 0.00 133 R 8.61 3.89 0.00 1.74 1.40 0.00 3.24 0.00 0.00 3.14 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.65 0.00 134 R 9.17 3.83 0.00 1.51 1.73 0.00 3.17 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.36 0.00 135 D 8.63 3.93 0.00 2.85 2.56 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 0.00 136 A 9.14 4.39 1.17 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 0.00 0.00 137 Y 7.81 4.40 0.00 2.97 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 D 7.92 4.38 0.00 2.66 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 0.00 139 E 9.89 3.59 0.00 2.08 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 2.16 2.19 0.00 140 A 7.79 4.28 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 7.67 4.24 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.60 0.00