NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2533 8.3031 124.0306 55.0330 32.8924 174.9554 3 G 3.6855 8.4664 114.1607 43.6040 0.0000 170.0587 4 D 4.4548 9.3421 122.7949 54.0287 42.3952 175.7110 5 K 3.9266 8.9807 125.5718 59.6748 32.1246 179.2805 6 K 4.0249 8.0650 117.9184 58.7063 32.0735 179.4718 7 V 3.5759 7.8093 118.4826 65.9904 31.4332 178.0240 8 I 3.6932 7.7885 119.5806 64.5500 36.9625 178.2495 9 Q 3.9940 8.0278 120.0967 59.1887 28.8187 177.7996 10 H 4.1266 8.2479 117.3132 58.9897 28.8451 177.4699 11 L 3.9967 8.2791 120.9953 58.2835 41.4386 179.5972 12 N 4.5786 8.6537 116.4286 55.8416 38.3534 177.4991 13 K 3.9405 7.8194 120.9203 59.4014 32.3472 178.9104 14 I 3.6911 7.8886 120.1657 64.2314 37.0147 177.9315 15 L 4.0316 8.4731 121.6733 58.3483 41.6572 179.1026 16 G 3.7605 8.2066 105.5347 48.1881 0.0000 175.3168 17 N 4.3825 8.1376 118.5319 56.0914 38.6547 177.3505 18 E 3.9821 8.3591 120.0680 59.4655 29.5777 179.4105 19 L 4.0799 8.0905 118.9744 57.7086 41.5434 179.7783 20 I 3.6630 7.4031 119.4831 64.2035 36.9999 178.2070 21 A 3.1897 7.8441 121.5597 54.8567 18.1188 179.5140 22 I 3.6114 7.6980 118.3544 64.9073 37.2422 178.4759 23 N 4.4117 7.6205 116.3485 56.0475 38.2842 177.5158 24 Q 3.8170 8.0807 121.1412 59.4751 29.2418 177.8608 25 Y 4.7093 7.9232 119.4579 60.4904 37.8583 178.1929 26 F 3.7826 8.5182 121.7074 61.2342 39.5995 176.9903 27 L 4.0109 8.0753 119.9461 58.4276 41.8824 178.6051 28 H 3.8825 8.4379 116.4222 58.6305 28.5088 177.3450 29 S 4.3053 8.5901 115.3839 62.0152 62.0842 176.7759 30 R 3.8449 7.8440 120.0516 58.9634 29.6973 179.0484 31 M 3.4744 7.7673 118.8613 57.8912 31.8523 178.6844 32 W 4.5430 8.2500 119.3992 60.0055 29.2500 178.3710 33 N 4.4292 8.5442 116.7204 56.3646 37.7347 177.0122 34 D 4.3499 8.1150 118.9438 56.8563 41.3913 177.5878 35 W 4.8594 8.0035 117.2059 57.0416 29.3333 177.2064 36 G 4.0192 7.9930 107.3218 45.7938 0.0000 175.0114 37 L 4.5457 7.9830 122.2991 53.6030 40.2820 177.2582 38 K 4.1505 8.6142 121.7345 58.2232 32.5601 178.7392 39 R 3.8996 7.8036 119.1653 59.2158 29.9414 178.3956 40 L 3.8232 7.7344 118.4672 57.5902 41.4703 179.4830 41 G 3.7988 8.2941 105.4944 47.8530 0.0000 175.6202 42 A 4.0065 8.1614 123.3036 55.1531 18.4746 179.1539 43 H 3.9813 8.3191 116.8219 59.4526 29.5367 177.0981 44 E 4.0492 8.7011 121.4071 58.9791 29.4409 178.0825 45 Y 4.0485 8.3516 120.2624 61.1245 38.8766 177.9348 46 H 3.9850 8.1721 116.9672 58.4703 28.8082 177.7875 47 E 3.7816 7.9891 120.5790 59.4256 29.3484 178.9666 48 S 4.3080 8.2241 113.1634 61.7508 62.3921 176.2961 49 I 3.6031 7.6755 122.1839 64.4146 36.7221 177.8370 50 D 4.3307 7.9967 119.6262 57.7361 40.7360 179.0811 51 E 4.1432 7.9952 119.6013 59.0455 29.3977 179.2288 52 M 4.0523 8.1094 118.7570 58.5153 32.0393 179.0441 53 K 4.0118 8.1224 118.4762 59.5218 32.1897 179.1198 54 H 4.2178 8.4081 116.6681 58.9498 28.6404 177.4514 55 A 4.0177 8.5071 122.8064 55.2286 18.1408 179.0340 56 D 4.2595 8.1673 116.3259 57.7008 41.3694 178.7411 57 K 4.0085 8.0801 118.8018 59.4248 31.9240 179.3961 58 L 4.0324 8.0780 119.3044 57.8649 41.6749 179.6128 59 I 3.7331 8.0024 119.8850 64.3751 37.0398 178.4314 60 E 4.0165 8.2565 119.5412 59.3454 29.2398 179.3650 61 R 4.0293 8.1090 118.8072 59.3914 30.1249 178.4998 62 I 3.7091 8.0112 119.7727 64.5189 37.0836 178.4135 63 L 4.0011 7.8534 119.2966 57.6970 41.2308 179.1947 64 F 4.2682 8.0924 119.4725 61.3743 39.6000 176.5025 65 L 3.8994 8.0097 115.9034 54.2938 40.9912 176.9976 66 E 3.4426 8.0839 118.9752 57.1037 28.3405 174.3194 67 G 3.9079 8.1696 106.9474 43.6009 0.0000 173.5577 68 L 4.5419 7.9978 119.0327 52.0169 42.2958 175.1455 69 P 4.3630 0.0000 0.0000 62.4029 31.7990 176.1427 70 N 4.6221 9.0275 122.3458 52.7325 38.1282 174.2514 71 L 4.6205 8.2761 124.1367 54.5041 42.5883 177.4741 72 Q 4.0315 8.3203 121.6268 58.0699 29.2865 175.5163 73 D 4.5320 8.1005 118.0643 53.0669 40.7298 175.3056 74 L 4.4679 8.2633 127.1753 52.7833 43.1095 176.9780 75 G 3.8285 8.3401 116.2509 45.0388 0.0000 171.2902 76 K 4.2031 8.3412 120.5000 55.5265 32.8536 176.9159 77 L 4.2571 8.3397 126.3091 54.2581 42.4522 177.0878 78 L 4.4319 8.8625 124.3619 53.3341 40.6909 174.7386 79 I 4.2553 8.0103 123.3085 59.5147 38.1910 176.5297 80 G 4.0463 8.6662 115.0833 44.4950 0.0000 172.5760 81 E 4.8099 8.9713 114.4617 55.3654 30.3987 175.3554 82 N 5.0317 7.6901 117.2007 50.8638 41.8816 175.0298 83 T 4.5097 8.5092 110.6135 65.0660 68.9070 176.2360 84 Q 3.9469 8.1937 121.9737 59.0718 29.1767 177.8552 85 E 3.9962 8.7871 120.4309 59.3274 29.6762 178.6206 86 M 3.9195 8.5641 119.2337 58.3669 32.0090 178.6056 87 L 4.1629 8.4358 119.3630 58.0923 41.7587 179.4967 88 Q 4.0266 8.1878 119.3462 59.3201 28.8496 178.1158 89 C 4.2329 8.3424 117.9840 62.8052 28.2080 175.7179 90 D 4.6722 8.4152 120.6447 57.2530 40.3350 178.6323 91 L 4.0380 8.1324 121.0093 58.1362 42.1163 178.6215 92 N 4.3371 8.4571 116.7010 56.2437 38.4290 176.9452 93 L 3.9735 8.2578 121.7479 58.3208 42.2246 178.8742 94 E 4.0677 8.4413 118.3085 59.5341 29.4891 179.2570 95 L 4.0292 8.1336 119.0012 57.7949 41.6903 179.5667 96 K 3.9331 8.1605 119.2157 59.5532 32.1503 178.7560 97 A 4.0693 8.2839 121.2011 55.1788 18.2375 179.5359 98 T 3.8807 8.0560 111.8977 64.8241 67.3434 176.3504 99 K 3.8400 7.9589 121.6180 60.0107 32.2007 178.3970 100 D 4.4158 8.1398 118.7833 57.3091 40.7105 178.8390 101 L 4.0085 8.1256 119.5789 57.9094 41.6249 179.7997 102 R 3.9683 8.1058 117.9844 59.2169 29.9925 178.9953 103 E 3.9599 8.0732 118.1358 59.3835 29.4460 179.2911 104 A 3.5284 7.9862 120.8138 54.9143 18.3557 179.8365 105 I 3.6426 7.7234 118.4770 64.3069 37.1786 178.5213 106 V 3.5434 7.8304 119.1789 66.5072 31.2749 177.4614 107 H 3.9919 8.2075 117.6071 59.5839 29.6601 176.9221 108 C 4.1288 8.2896 118.5222 62.7277 27.9240 175.7111 109 E 3.9328 8.2366 121.2575 59.2594 29.0301 178.8785 110 Q 4.0744 7.9114 116.6570 58.4623 28.8595 177.6995 111 V 3.9129 7.2204 111.3988 60.6585 31.8741 175.8992 112 H 3.1262 7.3339 114.2078 56.7901 26.8764 176.4661 113 D 4.5454 7.5370 121.0089 53.6395 37.6882 176.0995 114 Y 4.2810 7.3987 121.4384 60.6062 38.4985 177.8300 115 V 3.6448 7.8860 118.9447 66.2131 31.8672 178.1913 116 S 4.2155 8.4270 114.9079 61.2806 62.5443 176.7190 117 R 3.8786 7.9446 121.7131 59.3133 29.8907 177.7901 118 D 4.3327 8.3708 118.1867 57.3941 41.1924 177.8388 119 L 3.9407 7.8320 120.5630 58.5733 41.9814 179.1596 120 L 4.0622 7.8773 118.2348 57.5027 41.4530 179.6594 121 K 3.9781 8.5336 119.1645 59.5008 32.0064 179.0605 122 D 4.3533 8.2402 119.1753 57.4242 40.6447 178.9652 123 I 3.5280 7.7833 120.3200 64.1406 36.9975 178.2213 124 L 3.9290 8.1075 121.4218 58.0924 41.8998 178.6274 125 E 3.9094 8.3657 119.3751 59.3700 29.5835 178.7543 126 S 4.0756 8.0323 113.1051 61.4358 62.4547 176.0306 127 E 4.0467 8.4850 121.7231 59.2862 29.1103 179.1024 128 E 4.0519 8.6028 119.1992 59.3726 29.4012 179.2049 129 E 4.0177 8.2711 118.7877 59.6746 29.4099 179.0638 130 H 4.3799 8.2320 116.2937 58.9647 28.6864 177.9172 131 I 3.7550 7.9973 121.5927 64.3551 36.9522 177.8615 132 D 4.3229 8.3535 118.9951 57.5809 41.0877 177.5486 133 Y 4.1412 8.2821 120.0222 60.8174 38.6796 178.3380 134 L 3.6020 8.2264 119.8613 57.7428 41.8040 179.2511 135 E 3.8778 8.3450 118.7782 59.6419 29.2982 179.5159 136 T 3.7565 7.7023 115.5817 66.8164 68.5713 176.5066 137 Q 3.7464 7.6216 119.6625 58.9611 28.1282 179.1408 138 L 3.8908 7.9387 120.1129 57.6818 41.7512 179.8685 139 G 3.5807 8.5605 105.9832 47.6697 0.0000 175.8406 140 L 4.0357 7.9950 121.5627 57.5034 41.7556 179.3716 141 I 3.5526 7.3310 119.8101 64.5836 36.7694 178.4676 142 Q 3.9751 7.4118 116.6418 58.7789 28.5872 178.5145 143 K 4.1753 7.6579 117.9524 58.4611 32.4661 178.8630 144 V 4.1662 8.4251 110.5981 60.0545 33.0295 177.2007 145 G 4.0410 7.5748 105.1202 45.6646 0.0000 174.3206 146 L 3.9612 8.5455 122.6631 58.1119 42.1664 179.3777 147 E 3.9704 8.1466 117.9478 59.5294 29.4050 178.9906 148 N 4.3362 8.1131 115.9918 56.4179 38.4772 176.6174 149 Y 3.9984 7.9672 119.8144 60.7446 39.1742 177.9461 150 L 4.0811 8.3574 120.1621 57.6038 41.8571 179.0206 151 Q 3.8946 8.1466 119.5747 59.5230 28.8201 178.8019 152 S 4.2288 8.0248 113.7329 60.4794 63.0284 174.6977 153 H 4.5778 7.5260 118.3894 55.6054 29.4628 175.9946 154 M 4.0382 8.0198 121.2553 58.4603 32.2219 175.5227 155 H 5.2465 7.6544 114.0048 53.7514 30.8782 174.5912 156 E 4.1362 8.7473 122.2160 56.7376 29.3139 176.7301 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 2 K 8.30 4.25 0.00 1.56 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.03 7.81 3 G 8.47 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 9.34 4.45 0.00 2.79 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 5 K 8.98 3.93 0.00 1.91 1.83 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.53 1.11 7.81 6 K 8.06 4.02 0.00 1.84 1.63 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.47 7.81 7 V 7.81 3.58 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 1.16 0.00 0.00 0.93 0.00 0.00 8 I 7.79 3.69 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.60 0.90 0.00 0.00 9 Q 8.03 3.99 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 10 H 8.25 4.13 0.00 3.47 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.28 4.00 0.00 1.81 1.75 0.94 0.58 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 12 N 8.65 4.58 0.00 2.93 2.86 0.00 0.00 6.68 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 13 K 7.82 3.94 0.00 1.91 1.99 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 14 I 7.89 3.69 2.02 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 1.42 0.59 0.92 0.00 0.00 15 L 8.47 4.03 0.00 1.78 1.90 0.92 1.11 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 16 G 8.21 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 0.00 0.00 0.00 17 N 8.14 4.38 0.00 2.97 2.88 0.00 0.00 7.01 7.82 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 18 E 8.36 3.98 0.00 2.12 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 2.58 2.54 0.00 19 L 8.09 4.08 0.00 1.80 1.68 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.40 3.66 1.95 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 1.42 0.70 0.87 0.00 0.00 21 A 7.84 3.19 1.03 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 22 I 7.70 3.61 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.77 0.89 0.00 0.00 23 N 7.62 4.41 0.00 2.89 2.83 0.00 0.00 6.74 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.08 3.82 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.27 0.00 25 Y 7.92 4.71 0.00 3.03 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 26 F 8.52 3.78 0.00 3.40 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.08 4.01 0.00 1.85 1.82 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.44 3.88 0.00 3.46 2.86 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.59 4.31 0.00 3.87 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 30 R 7.84 3.84 0.00 1.87 1.87 0.00 2.87 0.00 0.00 2.49 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 31 M 7.77 3.47 0.00 0.87 1.56 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.17 0.00 32 W 8.25 4.54 0.00 3.64 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 33 N 8.54 4.43 0.00 2.71 2.85 0.00 0.00 6.67 8.93 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 34 D 8.12 4.35 0.00 2.52 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 8.00 4.86 0.00 3.80 3.20 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 36 G 7.99 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 37 L 7.98 4.55 0.00 2.18 1.65 1.25 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.61 4.15 0.00 1.99 1.86 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.48 7.81 39 R 7.80 3.90 0.00 1.84 1.89 0.00 3.25 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 40 L 7.73 3.82 0.00 1.28 0.30 0.40 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.29 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 42 A 8.16 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.32 3.98 0.00 3.26 3.22 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.70 4.05 0.00 2.49 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.60 0.00 45 Y 8.35 4.05 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.17 3.99 0.00 3.28 3.21 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.99 3.78 0.00 2.05 1.76 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 2.29 2.20 0.00 48 S 8.22 4.31 0.00 4.12 4.14 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 49 I 7.68 3.60 1.84 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.37 0.83 0.00 0.00 50 D 8.00 4.33 0.00 2.94 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 51 E 8.00 4.14 0.00 2.15 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 2.74 2.40 0.00 52 M 8.11 4.05 0.00 2.05 2.28 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.56 0.00 53 K 8.12 4.01 0.00 1.94 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.64 7.81 54 H 8.41 4.22 0.00 3.49 3.43 0.00 5.65 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 55 A 8.51 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.17 4.26 0.00 2.93 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.08 4.01 0.00 1.88 1.86 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 58 L 8.08 4.03 0.00 1.86 1.73 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.00 3.73 2.03 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 1.53 1.26 0.92 0.00 0.00 60 E 8.26 4.02 0.00 2.04 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 2.34 2.55 0.00 61 R 8.11 4.03 0.00 1.98 2.10 0.00 3.30 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 62 I 8.01 3.71 2.09 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 1.53 0.57 0.98 0.00 0.00 63 L 7.85 4.00 0.00 2.10 1.77 0.98 0.79 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 64 F 8.09 4.27 0.00 3.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.01 3.90 0.00 1.83 1.59 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.08 3.44 0.00 1.92 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 2.14 2.23 0.00 67 G 8.17 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 68 L 8.00 4.54 0.00 1.61 1.61 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.36 0.00 2.04 1.99 0.00 3.66 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 2.03 2.08 0.00 70 N 9.03 4.62 0.00 2.66 2.75 0.00 0.00 7.07 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 71 L 8.28 4.62 0.00 1.61 1.63 0.92 0.95 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 72 Q 8.32 4.03 0.00 2.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.10 4.53 0.00 2.69 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 74 L 8.26 4.47 0.00 1.54 1.54 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.34 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 0.00 0.00 0.00 76 K 8.34 4.20 0.00 1.70 1.72 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.51 7.81 77 L 8.34 4.26 0.00 1.63 1.54 0.88 0.96 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 78 L 8.86 4.43 0.00 1.73 1.68 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.01 4.26 1.87 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.77 0.90 0.00 0.00 80 G 8.67 4.05 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 0.00 81 E 8.97 4.81 0.00 2.15 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 2.37 2.23 0.00 82 N 7.69 5.03 0.00 2.89 2.83 0.00 0.00 5.95 7.22 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 83 T 8.51 4.51 5.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 84 Q 8.19 3.95 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 85 E 8.79 4.00 0.00 2.33 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 2.33 2.37 0.00 86 M 8.56 3.92 0.00 1.25 2.07 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.06 0.00 87 L 8.44 4.16 0.00 1.85 1.73 0.81 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.19 4.03 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.34 4.23 0.00 3.32 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 90 D 8.42 4.67 0.00 2.98 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 91 L 8.13 4.04 0.00 1.89 1.87 0.96 0.51 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 92 N 8.46 4.34 0.00 2.96 2.90 0.00 0.00 6.67 7.23 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 93 L 8.26 3.97 0.00 1.98 1.96 0.93 1.16 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 94 E 8.44 4.07 0.00 2.30 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 0.00 2.76 2.65 0.00 95 L 8.13 4.03 0.00 1.72 1.76 0.95 0.46 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 96 K 8.16 3.93 0.00 1.91 2.00 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.19 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.28 4.07 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 98 T 8.06 3.88 4.55 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 1.25 0.00 0.00 99 K 7.96 3.84 0.00 1.95 2.05 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.56 7.81 100 D 8.14 4.42 0.00 2.91 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 0.00 101 L 8.13 4.01 0.00 1.95 1.72 0.92 0.89 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 0.00 102 R 8.11 3.97 0.00 2.00 1.98 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 103 E 8.07 3.96 0.00 2.13 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 2.35 2.57 0.00 104 A 7.99 3.53 1.28 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 0.00 0.00 0.00 105 I 7.72 3.64 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 1.42 0.56 0.93 0.00 0.00 106 V 7.83 3.54 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.99 0.00 0.00 107 H 8.21 3.99 0.00 3.41 3.33 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.29 4.13 0.00 3.13 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.24 3.93 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 110 Q 7.91 4.07 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 111 V 7.22 3.91 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 0.79 0.00 0.00 0.99 0.00 0.00 112 H 7.33 3.13 0.00 3.17 3.21 0.00 5.65 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.54 4.55 0.00 2.65 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.40 4.28 0.00 3.10 2.96 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 0.00 115 V 7.89 3.64 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.00 0.00 0.00 116 S 8.43 4.22 0.00 4.14 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 0.00 117 R 7.94 3.88 0.00 1.94 2.25 0.00 3.21 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 118 D 8.37 4.33 0.00 3.00 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 0.00 119 L 7.83 3.94 0.00 1.88 1.85 0.93 0.74 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 0.00 120 L 7.88 4.06 0.00 1.91 1.69 0.94 0.96 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 0.00 121 K 8.53 3.98 0.00 2.03 1.86 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.35 7.81 122 D 8.24 4.35 0.00 2.92 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.78 3.53 1.95 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 1.15 0.80 0.84 0.00 0.00 124 L 8.11 3.93 0.00 1.84 1.90 0.93 1.02 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 0.00 125 E 8.37 3.91 0.00 2.07 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 0.00 2.31 2.32 0.00 126 S 8.03 4.08 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.49 4.05 0.00 2.12 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 2.50 2.53 0.00 128 E 8.60 4.05 0.00 2.13 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 2.35 2.55 0.00 129 E 8.27 4.02 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 2.35 2.63 0.00 130 H 8.23 4.38 0.00 3.46 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.00 3.75 2.08 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 1.48 0.98 0.94 0.00 0.00 132 D 8.35 4.32 0.00 2.90 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 0.00 133 Y 8.28 4.14 0.00 3.14 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 0.00 134 L 8.23 3.60 0.00 2.06 1.66 0.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.35 3.88 0.00 1.96 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 2.31 2.67 0.00 136 T 7.70 3.76 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 1.19 0.00 0.00 137 Q 7.62 3.75 0.00 1.80 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 1.19 1.92 0.00 138 L 7.94 3.89 0.00 1.89 1.61 0.81 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.56 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.99 4.04 0.00 1.75 1.85 1.01 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.33 3.55 1.75 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 1.15 -0.03 0.80 0.00 0.00 142 Q 7.41 3.98 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 143 K 7.66 4.18 0.00 1.76 1.85 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.76 7.81 144 V 8.43 4.17 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 0.78 0.00 0.00 1.14 0.00 0.00 145 G 7.57 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 0.00 0.00 0.00 146 L 8.55 3.96 0.00 1.76 1.68 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.15 3.97 0.00 2.05 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 2.39 2.40 0.00 148 N 8.11 4.34 0.00 3.07 2.89 0.00 0.00 6.74 7.48 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 0.00 149 Y 7.97 4.00 0.00 2.93 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 0.00 150 L 8.36 4.08 0.00 1.88 1.71 0.94 1.22 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 0.00 151 Q 8.15 3.89 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 152 S 8.02 4.23 0.00 3.80 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 0.00 153 H 7.53 4.58 0.00 2.88 3.01 0.00 5.81 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 8.02 4.04 0.00 1.79 2.10 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 155 H 7.65 5.25 0.00 3.12 3.15 0.00 5.77 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 0.00 156 E 8.75 4.14 0.00 1.95 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 2.31 2.30 0.00