NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3802 8.2644 123.5834 52.0754 19.5988 175.0338 2 T 4.8026 7.3983 114.5577 61.1547 73.9361 172.2826 3 K 5.3542 8.4913 120.7445 54.7162 37.0823 174.8907 4 A 5.4036 9.2013 124.2082 51.0310 23.4460 175.0966 5 V 5.1225 8.7824 117.0120 60.7036 35.3900 173.5363 6 A 5.0201 9.1051 123.3707 50.4642 22.6759 175.0437 7 V 4.4861 8.4288 122.5346 61.3051 33.6354 174.4312 8 L 4.7493 9.0438 129.3720 54.0277 43.1218 176.2377 9 K 4.7998 9.0164 121.8884 55.7356 37.1015 176.2171 10 G 4.4099 7.9629 108.7589 45.9827 0.0000 172.2989 11 D 4.6029 8.8075 118.5419 54.9380 41.8617 176.6107 12 G 4.3655 7.5598 109.2190 43.8824 0.0000 171.5369 13 P 4.4501 0.0000 0.0000 63.3068 32.0450 176.0992 14 V 4.4102 7.8051 120.5949 62.5589 31.8986 174.9267 15 Q 5.1797 7.5517 124.2900 55.8038 32.2127 173.3026 16 G 4.2120 7.8647 106.3447 46.3156 0.0000 171.7632 17 I 5.0952 7.8798 119.5835 59.3922 40.6242 175.0414 18 I 4.4595 8.7099 128.0217 59.4788 39.9202 174.5427 19 N 4.9111 8.5773 124.7822 51.6286 40.7878 174.1131 20 F 5.3381 8.9438 120.1166 55.8584 43.3586 173.8071 21 E 5.1850 9.5990 122.9221 54.9971 33.7423 173.5914 22 Q 4.8577 9.7604 128.0017 54.1638 31.0439 175.4522 23 K 4.0673 9.0778 128.3870 58.7015 32.7078 176.8310 24 E 4.8162 7.8365 117.0656 53.9690 32.6245 176.9889 25 S 4.2462 8.8883 117.2362 60.6773 63.0529 174.7648 26 N 4.8038 8.2335 116.3427 52.2643 37.2786 174.1460 27 G 4.1014 7.9407 109.2131 43.2603 0.0000 171.6194 28 P 4.7068 0.0000 0.0000 62.6423 32.7071 175.7806 29 V 4.6289 8.8762 121.1602 61.3216 33.6854 174.5593 30 K 4.9792 9.3148 128.1747 55.4843 34.1269 175.7999 31 V 4.8771 9.5615 125.3507 60.8273 34.2015 174.2618 32 W 5.3864 8.4492 123.9662 54.9021 32.0989 175.3928 33 G 3.9018 7.3375 105.8825 45.9598 0.0000 170.8316 34 S 5.0652 7.7532 113.6863 56.7634 66.5026 174.1949 35 I 5.0381 8.6840 126.6087 59.3356 40.7605 174.7481 36 K 4.8002 9.0929 125.5907 55.4722 36.2518 176.7411 37 G 3.8511 8.7714 105.5436 45.9691 0.0000 173.1826 38 L 4.6492 7.6051 119.4233 52.4776 43.5774 176.5167 39 T 4.3388 8.1913 111.6878 61.0334 69.5707 174.0301 40 E 4.1514 8.5462 124.3172 57.7881 30.4340 175.2766 41 G 3.7596 8.5468 109.8483 43.8936 0.0000 172.5898 42 L 4.7863 8.1682 118.4975 54.9450 42.9203 176.6796 43 H 5.0181 8.9612 118.8736 53.8570 33.2222 173.3682 44 G 4.1420 9.2149 111.1918 47.2177 0.0000 172.6593 45 F 5.4371 8.7886 124.7069 57.4299 42.1033 172.7699 46 H 5.0370 8.8517 122.6530 54.1929 34.0907 172.5943 47 V 4.5100 8.4119 120.0449 62.0803 32.9340 174.8718 48 H 4.9822 9.4932 126.2165 54.6575 30.4291 175.8433 49 E 3.6649 9.1166 122.8183 59.2375 29.5787 177.1196 50 F 4.9715 8.0440 118.0885 54.9414 41.4781 176.7598 51 G 4.5654 8.3096 112.3204 44.1921 0.0000 174.1272 52 D 4.7771 7.8920 117.3797 52.6656 42.7303 174.4326 53 N 5.1522 8.5584 125.1010 53.4485 39.3680 175.4407 54 T 3.9512 8.6838 110.0566 63.3930 69.0061 174.4027 55 A 4.6536 7.7317 124.2980 51.2321 19.3442 176.7365 56 G 3.8974 7.9152 111.8701 46.4435 0.0000 175.0325 57 C 4.4110 8.5647 114.7806 59.6549 38.6748 175.8132 58 T 3.8549 7.8971 117.9494 66.3757 67.8951 175.7393 59 S 4.4158 7.6497 112.9705 59.5887 63.5243 175.4382 60 A 4.6256 7.4817 125.9141 53.8523 18.2774 178.6561 61 G 4.2433 7.9600 105.7728 44.1151 0.0000 170.7192 62 P 4.6877 0.0000 0.0000 62.0046 34.0446 175.0062 63 H 4.5117 8.3775 116.5061 55.6584 29.5322 175.4942 64 F 4.2066 9.1401 125.5679 58.4560 40.2227 174.6380 65 N 5.0204 8.0138 125.6253 51.2573 38.6498 172.9141 66 P 4.0828 0.0000 0.0000 64.9781 32.0071 178.0212 67 L 4.1941 7.5731 116.4059 53.9494 42.4317 176.0900 68 S 3.5915 7.4349 114.2375 59.9268 60.5377 170.6666 69 R 4.6244 8.4531 118.7323 54.4321 33.0460 176.3006 70 K 4.5124 8.6451 117.8013 55.7192 34.0985 176.3289 71 H 3.9925 8.6444 123.0018 56.7398 30.4443 174.8845 72 G 4.1305 7.5128 110.1609 45.4005 0.0000 172.0733 73 G 4.1516 9.2468 109.2328 43.2667 0.0000 173.2214 74 P 4.2522 0.0000 0.0000 65.4505 31.0705 177.6028 75 K 4.2317 7.8911 115.7227 57.2266 32.5618 176.6628 76 D 4.6341 7.7160 119.4453 53.5355 41.5962 176.3343 77 E 3.8992 8.7112 123.4587 58.7371 29.5909 176.3491 78 E 4.2780 7.9448 121.2649 55.1329 28.6753 174.6008 79 R 4.6528 7.6487 120.1233 55.8382 32.4679 174.3283 80 H 4.6599 9.6455 116.5396 54.7447 29.6929 177.1485 81 V 3.5037 8.2747 122.2995 66.0511 31.5205 177.1840 82 G 3.8522 8.1979 106.6257 45.9068 0.0000 172.8757 83 D 4.8402 8.0366 120.5574 54.4284 39.6529 175.7040 84 L 4.6900 8.3446 122.2551 54.0276 43.2788 178.4613 85 G 4.0886 7.9445 109.3638 46.5924 0.0000 174.5617 86 N 5.6636 8.6919 121.0803 51.2808 42.4614 173.0054 87 V 4.4478 8.4214 112.6270 59.8948 36.1505 174.8451 88 T 5.0220 8.3246 119.0067 61.8632 71.1081 172.9418 89 A 4.9833 8.8819 129.1825 50.4293 21.3170 177.1281 90 D 4.9452 8.8898 122.9846 51.9067 41.1850 177.1715 91 K 3.9306 8.5341 117.3776 60.0547 32.2985 177.2905 92 D 4.4838 8.2156 116.9137 54.3958 41.2102 176.9365 93 G 4.3823 8.5665 108.4891 44.3030 0.0000 172.6510 94 V 4.8950 8.1180 119.6597 60.6735 34.3804 174.2204 95 A 5.2218 8.9372 129.9602 49.7554 20.9239 175.4357 96 D 5.0987 8.6111 123.3918 53.5754 40.8266 176.3534 97 V 3.6589 8.2719 124.1847 62.7948 32.9889 175.2150 98 S 4.6347 8.3514 122.5024 57.8610 64.0315 172.9720 99 I 4.8609 9.4812 128.0929 59.5126 41.8057 174.0806 100 E 5.2140 8.8196 125.0012 54.5955 32.5168 174.3363 101 D 4.8777 9.2418 125.1238 52.9024 45.0342 175.5859 102 S 4.6827 8.9144 119.2429 58.4868 63.8247 174.8203 103 V 4.0393 8.2159 121.3738 64.4113 32.0771 176.6531 104 I 4.1771 7.7900 111.1542 60.7097 38.6432 174.5821 105 S 4.6863 8.2135 114.4336 57.2498 65.4459 173.9202 106 L 4.4370 9.0843 123.6020 54.0889 41.4468 176.1137 107 S 4.3237 7.8295 112.4860 58.5548 65.9726 175.2356 108 G 3.9933 8.3185 106.1722 44.9172 0.0000 173.9072 109 D 4.4312 8.3022 117.7223 57.0704 41.1856 176.9820 110 H 5.2928 7.7484 115.0372 55.1084 29.6946 173.9419 111 S 4.4642 8.0915 113.3989 58.6790 63.0110 173.6060 112 I 3.8693 8.1128 116.9065 60.3415 37.9635 175.7897 113 I 3.7057 7.3460 123.4573 63.0571 37.4353 176.5407 114 G 3.8196 9.2814 113.3626 45.4291 0.0000 173.0381 115 R 4.9129 7.4474 119.3843 54.7960 33.6317 174.6108 116 T 5.0056 8.0330 114.9315 62.1602 71.7310 173.3568 117 L 4.9082 8.7495 128.3221 53.7762 44.0907 175.2973 118 V 4.9648 8.7196 125.9062 60.9404 35.3317 174.1792 119 V 5.0337 8.5391 126.7220 60.4601 33.6872 175.0074 120 H 5.2578 9.1948 122.5415 54.4174 30.2640 175.1889 121 E 4.1844 9.1729 121.3966 59.0885 30.0298 176.4610 122 K 4.7731 8.5340 117.4725 53.8647 35.8198 175.3289 123 A 4.5577 8.3368 121.9803 52.2047 19.7290 176.1087 124 D 5.1114 9.6806 121.8967 53.2967 41.9658 176.0749 125 D 4.6231 9.4587 125.1360 52.9340 39.9644 176.6148 126 L 3.6237 9.8226 119.3703 56.1625 39.7120 176.0243 127 G 4.1856 8.7489 104.4411 45.8842 0.0000 174.8301 128 K 4.5143 7.8908 117.0619 56.0062 32.1850 177.6820 129 G 3.7752 7.7774 108.6935 45.8157 0.0000 175.5404 130 G 3.8867 9.2622 107.6277 45.5143 0.0000 172.2235 131 N 4.9377 7.5519 115.3562 51.0266 40.5151 173.8574 132 E 4.0337 8.9303 117.9194 59.5503 29.9072 178.4269 133 E 3.9321 8.2476 118.5227 59.3127 29.3923 178.4896 134 S 4.1980 8.9036 113.9874 61.2156 62.3457 175.2699 135 T 4.5044 7.6594 110.3861 61.7516 68.4628 175.0468 136 K 4.2837 7.7124 118.5810 58.1611 33.9909 177.0546 137 T 4.0643 8.2147 106.3080 60.2992 70.1500 175.4006 138 G 3.8910 8.1857 110.2796 45.5857 0.0000 173.5214 139 N 4.3045 7.9331 114.7687 53.9841 36.7352 176.0085 140 A 4.0274 7.0311 119.8249 52.4786 19.0705 179.9986 141 G 3.6733 7.4034 103.8472 44.5984 0.0000 173.5360 142 S 4.3988 8.2103 113.7879 58.5242 64.7342 174.1828 143 R 4.4068 8.3402 120.1319 55.2043 29.7107 176.5155 144 L 4.2834 8.6908 125.7093 57.5729 42.9949 177.2551 145 A 4.8241 7.7697 117.5836 51.4147 22.7178 174.1005 146 C 5.1524 8.9843 113.9561 54.9449 45.8221 172.8255 147 G 4.7461 8.4410 103.5524 45.9613 0.0000 173.1671 148 V 4.2326 8.3842 123.0201 62.5769 32.7732 175.6573 149 I 4.1522 8.9557 129.3477 60.8746 37.7801 175.2400 150 G 4.4122 8.8432 115.0332 43.8219 0.0000 171.9721 151 I 4.2147 8.3173 121.5934 61.2849 37.5820 175.4519 152 A 4.8240 8.5370 127.7671 49.6005 22.2823 176.1128 153 Q 4.0678 8.5106 118.6510 56.4634 29.2122 175.9537 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 A 8.26 4.38 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 2 T 7.40 4.80 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 1.25 0.00 0.00 3 K 8.49 5.35 0.00 1.74 1.69 0.00 1.90 0.00 0.00 1.92 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.50 7.81 4 A 9.20 5.40 1.11 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 0.00 0.00 5 V 8.78 5.12 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 0.80 0.00 0.00 0.94 0.00 0.00 6 A 9.11 5.02 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 7 V 8.43 4.49 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 0.98 0.00 0.00 0.92 0.00 0.00 8 L 9.04 4.75 0.00 1.68 1.59 1.03 0.50 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 9 K 9.02 4.80 0.00 1.67 1.63 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 G 7.96 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.81 4.60 0.00 2.68 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 12 G 7.56 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 0.00 0.00 0.00 0.00 13 P 0.00 4.45 0.00 2.18 2.17 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.94 0.00 14 V 7.81 4.41 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 1.05 0.00 0.00 0.94 0.00 0.00 15 Q 7.55 5.18 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.20 0.00 16 G 7.86 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 0.00 0.00 0.00 0.00 17 I 7.88 5.10 1.81 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 1.20 1.29 0.83 0.00 0.00 18 I 8.71 4.46 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.17 0.44 0.00 0.00 19 N 8.58 4.91 0.00 1.44 1.50 0.00 0.00 6.36 8.23 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 20 F 8.94 5.34 0.00 2.82 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 21 E 9.60 5.19 0.00 2.47 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 0.00 2.33 2.54 0.00 22 Q 9.76 4.86 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.56 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 23 K 9.08 4.07 0.00 1.78 1.85 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.49 7.81 24 E 7.84 4.82 0.00 2.00 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 2.29 2.21 0.00 25 S 8.89 4.25 0.00 3.99 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 26 N 8.23 4.80 0.00 2.84 2.93 0.00 0.00 5.87 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 27 G 7.94 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 28 P 0.00 4.71 0.00 2.14 2.10 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 29 V 8.88 4.63 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 1.23 0.00 0.00 1.06 0.00 0.00 30 K 9.31 4.98 0.00 1.91 1.84 0.00 1.58 0.00 0.00 1.45 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.56 1.43 7.81 31 V 9.56 4.88 2.17 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 0.70 0.00 0.00 1.08 0.00 0.00 32 W 8.45 5.39 0.00 3.50 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.34 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 0.00 0.00 0.00 34 S 7.75 5.07 0.00 3.85 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 35 I 8.68 5.04 1.81 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 1.28 0.48 0.94 0.00 0.00 36 K 9.09 4.80 0.00 1.74 1.88 0.00 1.35 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.34 7.81 37 G 8.77 3.85 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 0.00 0.00 0.00 38 L 7.61 4.65 0.00 1.68 1.46 0.82 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.19 4.34 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 40 E 8.55 4.15 0.00 1.95 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 2.30 2.45 0.00 41 G 8.55 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 42 L 8.17 4.79 0.00 1.51 1.59 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.96 5.02 0.00 3.05 3.29 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 44 G 9.21 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 0.00 0.00 0.00 45 F 8.79 5.44 0.00 2.99 3.01 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 46 H 8.85 5.04 0.00 3.05 3.12 0.00 5.85 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.41 4.51 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 0.93 0.00 0.00 0.90 0.00 0.00 48 H 9.49 4.98 0.00 3.07 3.42 0.00 5.71 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.12 3.66 0.00 1.60 1.12 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 1.47 2.07 0.00 50 F 8.04 4.97 0.00 3.04 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 51 G 8.31 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.89 4.78 0.00 2.62 2.79 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 53 N 8.56 5.15 0.00 2.69 2.73 0.00 0.00 7.26 7.70 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 54 T 8.68 3.95 4.22 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 1.23 0.00 0.00 55 A 7.73 4.65 1.25 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 0.00 0.00 56 G 7.92 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 0.00 0.00 0.00 57 C 8.56 4.41 0.00 2.95 3.09 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 58 T 7.90 3.85 4.40 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 1.23 0.00 0.00 59 S 7.65 4.42 0.00 4.14 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 60 A 7.48 4.63 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.96 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 0.00 0.00 0.00 0.00 62 P 0.00 4.69 0.00 2.03 2.20 0.00 3.67 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 1.95 1.97 0.00 63 H 8.38 4.51 0.00 2.82 3.19 0.00 5.73 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 64 F 9.14 4.21 0.00 2.88 2.91 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 65 N 8.01 5.02 0.00 2.61 2.43 0.00 0.00 6.91 7.71 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 66 P 0.00 4.08 0.00 1.60 1.63 0.00 2.94 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 1.45 0.96 0.00 67 L 7.57 4.19 0.00 1.56 1.68 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.43 3.59 0.00 3.98 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 69 R 8.45 4.62 0.00 1.86 1.99 0.00 3.11 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 70 K 8.65 4.51 0.00 1.63 1.68 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.51 7.81 71 H 8.64 3.99 0.00 3.16 3.17 0.00 5.95 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 72 G 7.51 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 73 G 9.25 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 0.00 0.00 0.00 0.00 74 P 0.00 4.25 0.00 2.23 2.39 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 75 K 7.89 4.23 0.00 1.77 1.90 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.47 7.81 76 D 7.72 4.63 0.00 2.76 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 77 E 8.71 3.90 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 2.28 2.23 0.00 78 E 7.94 4.28 0.00 2.06 1.82 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 2.31 2.30 0.00 79 R 7.65 4.65 0.00 1.98 1.79 0.00 2.67 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 80 H 9.65 4.66 0.00 3.48 3.37 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 81 V 8.27 3.50 1.59 0.00 0.00 0.00 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 0.71 0.00 0.00 82 G 8.20 3.85 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 0.00 0.00 0.00 83 D 8.04 4.84 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 84 L 8.34 4.69 0.00 2.05 1.91 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.94 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 86 N 8.69 5.66 0.00 2.59 2.70 0.00 0.00 6.53 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 87 V 8.42 4.45 1.79 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 -0.18 0.00 0.00 0.76 0.00 0.00 88 T 8.32 5.02 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 1.20 0.00 0.00 89 A 8.88 4.98 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 90 D 8.89 4.95 0.00 2.85 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 91 K 8.53 3.93 0.00 1.88 2.00 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.47 7.81 92 D 8.22 4.48 0.00 2.85 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 93 G 8.57 4.38 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 0.00 94 V 8.12 4.90 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 1.02 0.00 0.00 0.92 0.00 0.00 95 A 8.94 5.22 1.16 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 96 D 8.61 5.10 0.00 2.54 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 97 V 8.27 3.66 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 0.63 0.00 0.00 0.60 0.00 0.00 98 S 8.35 4.63 0.00 3.90 3.72 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 99 I 9.48 4.86 1.99 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 1.15 0.87 1.02 0.00 0.00 100 E 8.82 5.21 0.00 1.96 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 2.21 2.32 0.00 101 D 9.24 4.88 0.00 2.80 2.51 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 0.00 102 S 8.91 4.68 0.00 3.90 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 0.00 103 V 8.22 4.04 2.26 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 0.80 0.00 0.00 0.95 0.00 0.00 104 I 7.79 4.18 1.95 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.81 1.06 0.00 0.00 105 S 8.21 4.69 0.00 3.86 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 0.00 106 L 9.08 4.44 0.00 1.76 1.63 1.04 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.83 4.32 0.00 3.94 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 0.00 108 G 8.32 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 0.00 0.00 0.00 109 D 8.30 4.43 0.00 2.59 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 0.00 110 H 7.75 5.29 0.00 3.20 3.37 0.00 5.78 0.00 0.00 0.00 0.00 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.09 4.46 0.00 3.90 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 0.00 112 I 8.11 3.87 1.62 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.26 0.92 0.00 0.00 113 I 7.35 3.71 1.78 0.00 0.00 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 1.13 0.74 0.83 0.00 0.00 114 G 9.28 3.82 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 0.00 0.00 0.00 115 R 7.45 4.91 0.00 1.63 1.84 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.31 0.00 116 T 8.03 5.01 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 117 L 8.75 4.91 0.00 1.79 1.53 0.42 1.06 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 0.00 118 V 8.72 4.96 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 0.72 0.00 0.00 0.73 0.00 0.00 119 V 8.54 5.03 2.28 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 0.76 0.00 0.00 1.00 0.00 0.00 120 H 9.19 5.26 0.00 3.19 3.59 0.00 5.66 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 0.00 121 E 9.17 4.18 0.00 2.03 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 2.37 2.34 0.00 122 K 8.53 4.77 0.00 1.72 1.70 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.38 7.81 123 A 8.34 4.56 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 0.00 124 D 9.68 5.11 0.00 2.78 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 0.00 125 D 9.46 4.62 0.00 2.86 2.89 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 0.00 126 L 9.82 3.62 0.00 1.84 1.76 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.75 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 0.00 128 K 7.89 4.51 0.00 1.88 1.81 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.35 7.81 129 G 7.78 3.78 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 0.00 0.00 0.00 130 G 9.26 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 0.00 131 N 7.55 4.94 0.00 2.76 2.78 0.00 0.00 6.12 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 0.00 132 E 8.93 4.03 0.00 2.06 1.99 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 2.38 2.36 0.00 133 E 8.25 3.93 0.00 2.11 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 2.43 2.42 0.00 134 S 8.90 4.20 0.00 3.97 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 0.00 135 T 7.66 4.50 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 1.26 0.00 0.00 136 K 7.71 4.28 0.00 1.82 1.78 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.53 7.81 137 T 8.21 4.06 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 1.18 0.00 0.00 138 G 8.19 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 0.00 139 N 7.93 4.30 0.00 2.87 2.90 0.00 0.00 6.91 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 0.00 140 A 7.03 4.03 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 0.00 141 G 7.40 3.67 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 0.00 0.00 0.00 142 S 8.21 4.40 0.00 3.95 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 0.00 143 R 8.34 4.41 0.00 1.68 1.84 0.00 3.24 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.00 144 L 8.69 4.28 0.00 1.74 1.70 0.99 0.53 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 0.00 145 A 7.77 4.82 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 C 8.98 5.15 0.00 3.00 3.10 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 0.00 147 G 8.44 4.75 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 0.00 148 V 8.38 4.23 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 0.81 0.00 0.00 0.97 0.00 0.00 149 I 8.96 4.15 1.77 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.41 0.31 0.00 0.00 150 G 8.84 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.32 4.21 1.85 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 1.25 0.54 0.91 0.00 0.00 152 A 8.54 4.82 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 0.00 153 Q 8.51 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00