NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 R 4.1650 8.2544 120.8707 55.8576 31.1894 174.7556 12 L 3.9598 8.3010 125.6390 52.9103 41.9032 174.3148 13 P 4.3671 0.0000 0.0000 62.7422 32.6524 176.5987 14 S 4.3358 8.6428 117.5562 60.1495 63.6770 173.7119 15 D 4.9285 7.7398 118.2309 52.2761 44.5982 174.0599 16 L 4.9950 8.2015 120.1100 52.7080 43.6880 176.5880 17 A 4.0215 8.6416 126.0287 52.5334 19.8919 177.1663 18 R 4.5481 8.6730 121.1850 55.4812 30.0365 175.1047 19 R 4.9266 8.6740 123.6851 54.7691 32.6609 174.3507 20 A 5.4658 9.0056 126.4357 50.5398 21.9654 175.3428 21 T 5.1823 9.2692 118.2709 61.6161 72.7672 172.7415 22 A 5.0979 8.7553 127.0159 50.2765 21.3760 175.8841 23 I 4.1000 9.0182 124.2632 59.7818 39.1986 175.0862 24 I 4.7989 8.1271 128.3713 59.4085 39.7990 175.1035 25 E 4.4268 8.7547 127.9676 55.7569 29.5368 176.9486 26 M 4.4550 8.6931 124.7655 53.1170 33.8061 175.7987 27 P 4.2002 0.0000 0.0000 66.1722 31.2934 177.7352 28 D 4.7006 9.0838 114.3794 52.6574 40.9513 176.5559 29 G 4.1297 6.9326 107.5197 43.4005 0.0000 172.6229 30 V 4.3896 8.2317 120.8484 61.8085 32.7623 175.4116 31 L 4.6030 8.5261 130.6274 55.4064 42.5153 176.3833 32 V 4.9216 8.8573 118.5726 59.9245 36.4728 174.3913 33 T 5.4121 9.0341 111.2941 60.3475 72.9511 172.6098 34 A 4.7916 9.1003 126.0448 51.3392 21.9665 178.4254 35 S 4.5438 8.6682 118.3444 59.8398 62.9893 171.8136 *39 R 4.3736 7.6468 116.0646 56.5713 31.0813 175.3375 40 Y 4.5930 8.3742 120.1014 58.2916 39.5108 174.1264 41 N 5.4366 9.0765 119.9781 51.9695 43.4566 173.3058 42 L 4.5765 8.4357 121.6666 53.8098 42.5296 175.6753 43 P 4.3513 0.0000 0.0000 62.8591 32.9090 176.5835 44 G 3.9407 7.9320 106.7663 47.2320 0.0000 171.5957 45 G 4.0281 7.3097 107.6582 45.5620 0.0000 171.7337 46 K 4.8398 8.3866 118.0088 55.4218 33.3209 176.9388 47 A 4.4862 8.8415 126.3575 51.6559 19.2894 177.4990 48 N 4.6348 10.3021 123.1700 53.1038 40.1992 175.8167 49 R 4.0227 8.5313 119.0400 58.0762 29.7301 178.6907 50 G 4.0666 8.9254 109.0233 44.8820 0.0000 173.1173 51 E 4.8585 7.9178 117.0027 53.9682 32.3076 176.5451 52 L 4.3038 8.6598 120.6771 54.4634 43.8550 178.8319 53 R 4.0152 8.5421 120.7831 59.3653 29.9420 179.6084 54 S 3.7062 8.0121 113.8157 61.2998 62.8856 176.4782 55 Q 3.9101 7.9639 120.9325 58.7112 28.5027 178.4183 56 A 3.9756 7.9768 121.8092 54.8838 18.2689 179.4640 57 L 3.8125 7.9539 119.0017 58.3359 42.2671 179.3306 58 I 3.6284 7.3680 119.9122 64.2044 36.9868 178.3297 59 R 3.8526 7.6823 119.5198 59.6204 29.7968 178.4462 60 E 4.0089 8.3716 118.3361 59.1208 29.5613 179.1801 61 I 3.6751 8.0328 120.3272 64.2716 37.0741 178.3003 62 R 4.2434 7.8996 122.9445 59.6342 29.6939 178.9439 63 E 3.9590 8.0643 116.6746 61.1980 29.7412 180.2760 64 E 4.4983 8.1530 118.2453 58.1262 30.1317 177.5115 65 T 5.1873 7.3121 104.7413 59.1355 70.6868 175.6605 66 G 4.0109 8.4716 110.3801 45.5115 0.0000 174.1011 67 L 4.0235 7.8189 120.7400 54.6694 42.0420 176.5498 68 R 4.6016 8.2438 121.7141 54.1941 30.3836 175.6201 69 I 4.1021 8.2322 124.9541 61.3772 37.4683 175.9070 70 N 4.9925 8.6434 122.0530 53.0764 39.2360 175.0444 71 S 4.9044 7.8412 115.0936 57.3620 67.6026 172.7797 72 M 5.2745 8.4695 119.2825 54.0054 34.2710 173.6613 73 L 4.8309 9.3027 123.0272 53.2107 45.2400 174.8471 74 Y 3.9880 9.0453 128.3201 58.2280 38.8336 174.3288 75 L 4.3405 7.7928 126.7114 55.1660 43.1768 176.4376 76 F 4.4719 6.0154 110.5455 56.2255 40.6905 171.9508 77 D 5.3215 9.0068 119.2741 53.9249 42.4144 175.8625 78 H 4.9365 9.3338 121.1142 54.7292 33.0116 171.8675 79 I 5.1319 8.4555 126.6462 59.7899 39.1285 175.0493 80 T 4.8072 9.1846 116.0575 58.8519 71.8834 173.0144 81 P 4.2792 0.0000 0.0000 64.9521 31.5713 177.5508 82 F 4.7174 7.9255 116.7708 58.2238 41.1376 175.9567 83 N 5.3058 8.6343 114.8610 51.3841 42.9396 174.0111 84 A 4.9612 9.1334 125.6708 50.6603 19.8470 175.2280 85 H 4.9852 9.5337 118.7897 56.0593 30.6546 174.4774 86 K 5.0392 8.9318 120.9863 54.7140 34.9342 175.2570 87 V 4.6543 8.1672 124.1792 61.2301 34.0172 173.8995 88 Y 5.1114 8.7714 124.6608 55.9691 41.9575 174.3428 89 L 4.5696 8.9229 126.7911 55.0324 43.2949 175.2540 90 C 5.3979 9.0970 124.0860 57.9975 31.5650 173.4017 91 I 4.7040 8.6741 122.6099 58.5432 39.8800 172.8396 92 A 4.8286 7.8930 129.7566 51.0222 19.7613 178.8574 *94 G 3.7465 8.6321 111.7483 47.9723 0.0000 170.8972 95 Q 4.5654 8.2631 117.5257 52.9474 30.8054 174.1617 96 P 4.7335 0.0000 0.0000 63.1637 32.4465 175.8820 97 K 4.8192 8.7088 119.7584 54.0222 37.0503 173.8346 98 P 4.6261 0.0000 0.0000 63.3370 31.8196 175.4137 99 Q 4.5683 8.3433 122.7608 55.2164 33.5137 176.7248 100 N 4.4796 8.4781 120.6495 54.0954 38.6218 177.7487 101 E 4.0612 8.7811 127.8725 59.1976 29.6089 176.1807 102 I 4.1571 8.1944 122.9708 60.8376 37.8088 175.6093 103 E 4.3872 8.8637 126.2726 56.6956 31.3669 176.0497 104 R 5.0136 7.8519 116.7540 54.1515 34.4781 174.5361 105 I 5.3547 8.4153 113.4876 59.8200 41.3245 173.9228 106 A 4.5841 8.8176 123.7586 51.2509 22.9064 174.6035 107 L 5.1516 8.1923 116.0156 53.1580 45.4809 176.6632 108 V 4.2756 8.6643 123.2094 61.4850 33.0303 176.5837 109 S 4.3412 8.8695 123.9462 60.3364 63.7579 173.9913 110 S 4.6656 7.4199 112.6011 56.5068 65.1580 173.4439 111 P 4.5043 0.0000 0.0000 64.4235 31.1770 176.8156 112 D 4.9694 7.5071 118.2370 52.2965 39.7090 176.2325 113 T 3.9332 7.6142 113.5983 63.7063 67.7927 173.4968 114 D 4.4623 8.5499 125.6725 56.7924 41.2796 176.8790 115 M 3.9642 7.7057 118.4194 56.1771 32.5897 175.9230 116 D 4.7153 8.5789 124.3634 53.6105 40.9514 174.0358 117 L 4.9898 8.1233 123.5451 52.7691 43.5770 176.1511 118 F 4.0434 9.1981 125.9266 58.7125 40.1717 176.1226 119 V 3.5650 7.9274 126.0240 65.4834 30.8012 178.5596 120 E 4.2743 8.6366 118.9662 58.7636 29.3752 179.5265 121 G 3.6234 8.3728 105.4878 47.7844 0.0000 175.5822 122 R 3.9425 8.1617 121.3339 59.0869 30.1716 178.4780 123 A 4.0236 8.1101 120.5682 55.2667 18.3057 179.7292 124 I 3.8107 8.0188 118.5304 64.4906 37.0874 178.6543 125 L 4.1384 8.1584 119.9130 57.8126 41.5379 179.7665 126 R 3.9282 8.2517 118.1636 59.3610 30.0456 179.1408 127 R 3.7601 7.9776 118.3339 59.2036 29.9870 177.8248 128 Y 4.3624 8.5226 119.5080 60.8369 38.6353 177.9817 129 A 3.7834 8.0469 120.3238 55.1031 18.7652 179.5353 130 R 3.9269 7.7677 116.0053 59.4175 30.1894 179.0243 131 L 4.0727 7.9010 119.9675 58.2744 41.7688 179.1341 132 R 3.8250 7.6894 117.1615 58.1942 29.9256 177.3817 133 N 4.7449 7.5061 114.1131 52.1124 39.6332 174.0587 134 E 4.0287 7.6094 120.4161 56.7426 30.6403 177.4838 135 E 4.3935 8.4289 127.2230 55.1818 28.3714 175.5455 136 T 4.7340 7.1778 111.1047 58.7388 73.9814 174.6120 137 A 3.9850 8.5304 122.9688 55.3074 18.2552 179.9171 138 K 3.9915 8.0831 117.6819 59.6290 32.3165 179.1285 139 G 3.6049 8.2513 106.0527 47.7687 0.0000 175.5927 140 E 3.9437 8.4050 120.6920 59.0804 29.4398 179.1423 141 A 3.9849 8.1980 120.9888 55.0741 18.3873 179.3875 142 L 3.9231 8.2371 119.0359 58.5574 42.2325 179.4728 143 R 3.9064 8.2763 117.9155 59.1203 29.8744 178.9462 144 A 4.0195 8.3371 120.9052 55.1528 18.3284 179.7054 145 L 3.9670 8.2224 117.6964 57.9988 41.7061 179.8039 146 L 4.1698 8.3885 119.2197 57.3822 41.4907 179.7889 147 G 3.6272 8.1706 106.0345 47.6384 0.0000 175.3760 148 L 4.0186 8.1138 123.1362 57.9384 42.0597 178.9517 149 A 4.0191 8.2582 120.7151 55.1841 18.2878 179.6126 150 R 3.8463 8.2492 117.3253 59.5717 30.0991 178.1994 151 Y 4.0514 8.2541 119.4019 60.7005 38.8811 177.7659 152 I 3.5450 8.1171 120.6901 64.4907 37.0339 178.2861 153 A 3.9692 7.9478 120.2376 54.9902 18.2546 179.2941 154 K 3.9650 7.8739 117.3432 59.3558 32.2989 179.0155 155 V 3.5644 7.6748 120.5875 66.5403 31.5671 176.6214 156 D 4.6301 7.7962 123.6655 55.6844 39.7841 177.5811 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 11 R 8.25 4.17 0.00 1.84 1.95 0.00 3.22 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 12 L 8.30 3.96 0.00 1.67 1.56 0.84 0.63 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 13 P 0.00 4.37 0.00 2.07 1.98 0.00 3.39 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 2.00 0.00 14 S 8.64 4.34 0.00 3.97 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.74 4.93 0.00 2.61 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 16 L 8.20 4.99 0.00 1.50 1.60 0.90 0.80 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 17 A 8.64 4.02 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.67 4.55 0.00 1.79 1.92 0.00 3.12 0.00 0.00 3.27 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 19 R 8.67 4.93 0.00 1.85 1.63 0.00 2.75 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 20 A 9.01 5.47 1.29 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 0.00 0.00 0.00 21 T 9.27 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 1.26 0.00 0.00 22 A 8.76 5.10 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 23 I 9.02 4.10 1.49 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.45 0.20 0.00 0.00 24 I 8.13 4.80 1.84 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 1.32 0.69 0.90 0.00 0.00 25 E 8.75 4.43 0.00 2.00 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 2.39 0.00 26 M 8.69 4.45 0.00 2.02 2.05 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 2.56 2.63 0.00 27 P 0.00 4.20 0.00 2.03 2.13 0.00 3.66 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 2.03 2.13 0.00 28 D 9.08 4.70 0.00 2.65 2.66 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 0.00 0.00 0.00 0.00 29 G 6.93 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 30 V 8.23 4.39 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 0.85 0.00 0.00 0.99 0.00 0.00 31 L 8.53 4.60 0.00 1.67 1.54 0.93 0.77 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 32 V 8.86 4.92 2.30 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 0.74 0.00 0.00 0.80 0.00 0.00 33 T 9.03 5.41 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 34 A 9.10 4.79 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 35 S 8.67 4.54 0.00 3.65 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *39 R 7.65 4.37 0.00 1.82 2.06 0.00 3.22 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 40 Y 8.37 4.59 0.00 2.92 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 41 N 9.08 5.44 0.00 2.70 2.55 0.00 0.00 7.27 6.25 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 42 L 8.44 4.58 0.00 1.56 1.71 0.89 1.03 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 43 P 0.00 4.35 0.00 2.10 2.18 0.00 3.86 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 44 G 7.93 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 45 G 7.31 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 46 K 8.39 4.84 0.00 1.64 1.74 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.42 7.81 47 A 8.84 4.49 1.31 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 0.00 0.00 48 N 10.30 4.63 0.00 2.68 2.74 0.00 0.00 6.85 7.54 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 49 R 8.53 4.02 0.00 1.82 1.74 0.00 3.34 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 1.56 1.22 0.00 50 G 8.93 4.07 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 0.00 0.00 0.00 51 E 7.92 4.86 0.00 2.03 1.90 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 2.22 2.34 0.00 52 L 8.66 4.30 0.00 1.76 1.62 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.54 4.02 0.00 1.99 2.14 0.00 3.21 0.00 0.00 3.59 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 54 S 8.01 3.71 0.00 3.88 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 55 Q 7.96 3.91 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 56 A 7.98 3.98 1.34 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 0.00 0.00 0.00 57 L 7.95 3.81 0.00 1.64 1.47 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.37 3.63 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.97 0.87 0.00 0.00 59 R 7.68 3.85 0.00 1.79 2.07 0.00 3.07 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 60 E 8.37 4.01 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 61 I 8.03 3.68 1.88 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 1.58 1.01 0.89 0.00 0.00 62 R 7.90 4.24 0.00 1.94 2.02 0.00 3.13 0.00 0.00 3.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 63 E 8.06 3.96 0.00 2.11 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 2.26 2.23 0.00 64 E 8.15 4.50 0.00 1.93 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 2.43 2.39 0.00 65 T 7.31 5.19 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 1.21 0.00 0.00 66 G 8.47 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 0.00 0.00 0.00 67 L 7.82 4.02 0.00 1.72 1.58 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.24 4.60 0.00 1.84 1.86 0.00 3.12 0.00 0.00 3.33 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 69 I 8.23 4.10 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.43 0.90 0.00 0.00 70 N 8.64 4.99 0.00 2.70 2.90 0.00 0.00 6.81 7.80 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 71 S 7.84 4.90 0.00 3.76 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 72 M 8.47 5.27 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 73 L 9.30 4.83 0.00 1.75 1.58 0.99 0.84 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 74 Y 9.05 3.99 0.00 2.99 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 75 L 7.79 4.34 0.00 0.73 1.59 0.92 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 76 F 6.02 4.47 0.00 3.04 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 77 D 9.01 5.32 0.00 2.73 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 78 H 9.33 4.94 0.00 3.47 3.20 0.00 5.73 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 79 I 8.46 5.13 1.88 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 1.46 0.84 0.94 0.00 0.00 80 T 9.18 4.81 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 81 P 0.00 4.28 0.00 1.29 1.82 0.00 3.80 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 2.04 0.00 82 F 7.93 4.72 0.00 3.18 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 83 N 8.63 5.31 0.00 2.84 2.49 0.00 0.00 6.67 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 9.13 4.96 1.29 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 0.00 0.00 0.00 85 H 9.53 4.99 0.00 3.36 3.29 0.00 5.78 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 86 K 8.93 5.04 0.00 1.83 1.52 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.48 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.60 1.40 7.81 87 V 8.17 4.65 0.95 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 0.50 0.00 0.00 0.73 0.00 0.00 88 Y 8.77 5.11 0.00 2.79 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 89 L 8.92 4.57 0.00 1.83 1.59 1.02 1.19 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 90 C 9.10 5.40 0.00 2.80 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 91 I 8.67 4.70 1.89 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 1.19 0.71 0.93 0.00 0.00 92 A 7.89 4.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *94 G 8.63 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 95 Q 8.26 4.57 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 96 P 0.00 4.73 0.00 2.07 2.05 0.00 3.75 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 1.98 2.00 0.00 97 K 8.71 4.82 0.00 1.71 1.68 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.36 1.56 7.81 98 P 0.00 4.63 0.00 2.17 2.13 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 99 Q 8.34 4.57 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 5.67 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 100 N 8.48 4.48 0.00 2.81 1.90 0.00 0.00 6.98 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 0.00 101 E 8.78 4.06 0.00 2.09 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 2.33 2.25 0.00 102 I 8.19 4.16 2.16 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 1.17 1.18 1.00 0.00 0.00 103 E 8.86 4.39 0.00 1.92 1.91 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 2.22 2.24 0.00 104 R 7.85 5.01 0.00 1.69 1.91 0.00 3.19 0.00 0.00 3.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 105 I 8.42 5.35 1.92 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 0.70 0.95 0.00 0.00 106 A 8.82 4.58 0.72 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 0.00 0.00 107 L 8.19 5.15 0.00 1.43 1.49 0.90 0.83 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 0.00 108 V 8.66 4.28 2.06 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 1.11 0.00 0.00 0.87 0.00 0.00 109 S 8.87 4.34 0.00 3.89 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 0.00 110 S 7.42 4.67 0.00 3.97 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 0.00 111 P 0.00 4.50 0.00 2.08 2.19 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 112 D 7.51 4.97 0.00 2.68 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 0.00 113 T 7.61 3.93 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 1.24 0.00 0.00 114 D 8.55 4.46 0.00 2.71 2.72 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 0.00 115 M 7.71 3.96 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 116 D 8.58 4.72 0.00 2.91 2.66 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 0.00 0.00 0.00 0.00 117 L 8.12 4.99 0.00 1.63 1.67 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 118 F 9.20 4.04 0.00 3.23 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 7.93 3.56 1.88 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 0.26 0.00 0.00 0.92 0.00 0.00 120 E 8.64 4.27 0.00 2.44 2.20 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 2.71 2.91 0.00 121 G 8.37 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 R 8.16 3.94 0.00 1.95 2.08 0.00 3.11 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 123 A 8.11 4.02 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 0.00 124 I 8.02 3.81 1.92 0.00 0.00 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 1.49 0.29 0.97 0.00 0.00 125 L 8.16 4.14 0.00 2.00 1.81 1.03 0.74 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 0.00 126 R 8.25 3.93 0.00 2.11 1.98 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 127 R 7.98 3.76 0.00 1.86 1.86 0.00 2.86 0.00 0.00 2.83 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.05 0.00 128 Y 8.52 4.36 0.00 3.31 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 0.00 129 A 8.05 3.78 1.34 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 0.00 0.00 0.00 130 R 7.77 3.93 0.00 1.99 1.90 0.00 3.05 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 131 L 7.90 4.07 0.00 1.87 1.83 0.96 1.10 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 0.00 132 R 7.69 3.83 0.00 1.80 1.82 0.00 2.46 0.00 0.00 2.83 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.86 0.00 133 N 7.51 4.74 0.00 2.63 2.73 0.00 0.00 7.14 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 0.00 134 E 7.61 4.03 0.00 2.13 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 2.30 2.30 0.00 135 E 8.43 4.39 0.00 1.98 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 2.27 2.27 0.00 136 T 7.18 4.73 4.25 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 1.21 0.00 0.00 137 A 8.53 3.99 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 0.00 138 K 8.08 3.99 0.00 1.86 1.83 0.00 1.73 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.52 7.81 139 G 8.25 3.60 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 0.00 0.00 0.00 140 E 8.40 3.94 0.00 2.19 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 2.33 2.55 0.00 141 A 8.20 3.98 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 0.00 142 L 8.24 3.92 0.00 1.86 1.89 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.28 3.91 0.00 1.88 1.96 0.00 3.17 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 144 A 8.34 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 0.00 145 L 8.22 3.97 0.00 1.97 1.78 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.39 4.17 0.00 1.86 1.76 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 147 G 8.17 3.63 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 0.00 148 L 8.11 4.02 0.00 1.79 1.91 0.99 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.26 4.02 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 0.00 150 R 8.25 3.85 0.00 2.02 2.21 0.00 3.15 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 151 Y 8.25 4.05 0.00 3.14 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 I 8.12 3.55 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.10 0.91 0.00 0.00 153 A 7.95 3.97 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 0.00 154 K 7.87 3.97 0.00 1.73 1.94 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.38 7.81 155 V 7.67 3.56 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 0.72 0.00 0.00 0.22 0.00 0.00 156 D 7.80 4.63 0.00 2.83 2.43 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 * Residues marked with a * may have inaccurate shift predictions.