NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1725 8.1727 122.0512 56.2984 34.0830 173.9798 2 V 4.5246 8.2096 127.4215 60.7317 32.2323 174.5305 3 F 4.3284 9.9918 129.0918 57.5814 40.2110 174.8642 4 E 4.2962 8.7405 120.9859 55.6634 30.8807 177.0903 5 R 3.3321 8.9917 122.8809 60.5360 30.0006 179.5292 6 C 4.3091 8.0499 115.2517 59.7269 36.5194 175.6612 7 E 3.8872 8.1220 120.7231 59.1729 29.2277 178.5126 8 L 3.5985 8.0328 120.1687 57.8171 42.0808 178.5785 9 A 3.9357 7.9294 120.7683 55.4209 18.3021 179.9105 10 R 3.8797 8.1180 116.4141 59.6148 30.1712 179.4393 11 T 3.8699 7.8491 115.5488 66.6470 68.4611 176.7554 12 L 3.8603 8.1462 121.2875 57.4211 41.6044 179.4804 13 K 3.8814 7.9694 119.6255 59.5868 31.9749 178.8295 14 R 3.9426 7.8577 117.6189 59.1380 29.9975 177.4687 15 L 4.3719 7.4829 116.0712 54.1645 41.7222 176.9510 16 G 3.8605 7.8467 106.8583 46.8972 0.0000 175.1203 17 M 3.9227 7.7931 121.4793 56.4463 32.4226 175.8121 18 D 4.6754 8.0147 117.9593 55.9500 41.2359 175.8165 19 G 3.9465 9.3946 115.6468 45.4616 0.0000 171.4706 20 Y 4.1731 8.4511 122.1710 58.5738 38.9109 176.2152 21 R 3.6236 9.0483 126.6646 57.2882 27.7986 177.2243 22 G 3.7991 8.1018 103.3284 45.6862 0.0000 174.0493 23 I 4.0572 7.6147 122.0302 59.0043 38.0309 175.8579 24 S 4.6074 8.2945 120.4167 57.7201 63.9294 174.9024 25 L 4.2254 8.8310 123.2209 58.6642 41.7860 179.3434 26 A 4.1428 8.2031 120.0370 55.4146 18.2092 179.2308 27 N 4.5079 8.1673 114.8959 56.2221 38.6033 177.7464 28 W 4.2777 8.0641 119.9847 59.9384 29.1469 178.3719 29 M 4.1946 8.5475 118.9870 58.5483 31.5746 177.9254 30 C 3.1771 8.1689 118.6260 59.0611 44.4733 175.3226 31 L 3.9885 8.2223 121.7430 58.3137 41.7783 178.8305 32 A 4.0585 8.3359 120.7490 54.8630 18.3033 179.3855 33 K 2.7291 8.0652 118.1292 59.3517 32.0053 179.0809 34 W 4.3271 7.4641 116.8250 59.2118 29.0926 178.3348 35 E 4.3323 8.3375 118.6755 58.6584 29.4875 177.7621 36 S 4.5140 8.0140 109.4005 56.5515 64.9094 174.3892 37 G 3.2951 7.9563 108.9170 46.9688 0.0000 173.1307 38 Y 3.6347 7.5821 113.1590 58.6615 35.1447 168.9133 39 N 5.3262 7.5740 117.5160 51.9385 40.3808 175.6489 40 T 4.1222 8.9634 117.2594 64.0401 69.2019 175.9388 41 R 4.3513 8.0674 116.7004 55.6420 30.0184 176.1214 42 A 4.3052 7.7053 121.7358 52.7649 19.1960 177.1339 43 T 4.9848 8.4356 111.7850 59.9617 72.5016 173.3761 44 N 4.8044 8.8212 122.1294 52.4529 42.0723 172.4634 45 Y 4.6214 8.7338 128.3439 57.3539 40.1868 174.5918 46 N 4.5608 8.4809 124.7319 51.3018 38.9754 175.3741 47 A 3.6743 8.4859 128.0779 54.9514 18.8913 179.1140 48 G 3.7224 8.1371 104.0416 48.4902 0.0000 174.0428 49 D 4.6485 7.7393 116.1326 51.9018 40.0399 176.4152 50 R 3.7952 7.7563 117.6778 57.2333 28.0656 175.8783 51 S 4.9325 7.8798 112.6120 57.2123 66.1486 172.8721 52 T 5.0919 8.9442 116.7658 61.9430 72.4404 172.6886 53 D 5.4863 8.9152 125.3132 53.1451 43.1455 174.9828 54 Y 4.8848 9.2706 121.5774 57.4285 41.2648 177.4252 55 G 4.5723 9.0146 112.0778 46.1170 0.0000 173.4726 56 I 3.9565 8.2332 116.7903 62.9257 37.9064 177.2801 57 F 4.7278 8.0238 115.6712 56.3163 39.6805 175.6589 58 Q 3.5268 7.8690 118.4037 57.1133 26.3841 173.3401 59 I 4.5598 8.4232 119.4915 60.5689 39.6027 176.3013 60 N 5.4228 9.2100 126.0583 53.4909 39.7463 175.6761 61 S 4.6961 9.0528 120.4933 60.1212 63.3309 175.3745 62 R 3.8260 8.6705 122.2951 58.6073 30.4460 177.6241 63 Y 4.4901 7.7029 114.1739 57.3205 40.3396 176.7229 64 W 5.2831 8.0438 118.6041 57.4591 31.3211 173.7464 65 C 5.7699 8.1045 112.3089 53.0323 46.7283 172.2502 66 N 5.2060 9.1574 119.0080 51.7606 40.6837 174.4818 67 D 4.8243 8.6111 123.4678 52.3460 40.4140 177.9372 68 G 4.1342 8.4880 112.1646 46.2266 0.0000 175.0398 69 K 4.4133 8.0855 116.1756 56.6080 32.8211 175.8033 70 T 4.4743 7.6685 116.6346 61.5361 69.4271 173.0373 71 P 4.3133 0.0000 0.0000 63.2893 32.0875 175.8881 72 G 3.9129 8.3949 106.6330 46.4846 0.0000 172.9402 73 A 4.6768 7.6745 118.4244 50.3996 20.9640 177.4992 74 V 4.3418 8.5722 119.4929 61.2437 35.3196 175.3315 75 N 4.7981 8.3174 120.5024 51.5452 39.0203 174.2186 76 A 3.9348 9.4493 125.2762 54.7434 18.2737 179.0151 77 A 4.1177 7.9964 115.4985 52.5892 19.0544 176.8351 78 H 4.0092 7.5107 111.0869 57.3859 26.5716 174.1014 79 L 4.8976 7.5897 117.0366 52.7561 46.0916 176.0947 80 S 4.8118 8.2429 114.4561 57.6436 63.4326 175.9448 81 C 4.1588 8.6445 124.6195 59.5711 36.3101 176.3409 82 S 3.9176 7.6781 115.1922 61.2423 61.6789 175.9219 83 A 4.1181 7.7544 122.4049 54.5104 17.7921 177.9660 84 L 4.4445 7.6764 116.1937 55.1563 41.7743 177.6308 85 L 5.0269 7.7998 117.3960 54.5920 42.2029 176.6212 86 Q 4.4307 7.7795 117.8534 55.1561 29.7470 175.8452 87 D 4.4195 8.4938 119.3529 56.9588 41.1663 176.7818 88 N 4.6058 8.0323 118.2132 53.1022 39.2431 174.5422 89 I 4.2881 8.4665 119.0552 61.0807 38.0368 177.0532 90 A 3.9422 8.5355 125.3068 56.1147 18.0988 180.3069 91 D 4.3134 8.0889 116.4730 57.3334 40.8822 178.6837 92 A 4.0835 7.9894 120.9680 55.0895 18.4563 179.7446 93 V 3.2931 8.1647 116.8468 66.0151 31.7524 178.0966 94 A 3.8330 8.0279 120.3081 54.9802 18.1205 179.5337 95 A 3.8988 8.2468 119.1365 55.3393 18.6474 179.6670 96 A 3.9765 8.1071 119.5460 55.2507 18.0424 180.0666 97 K 3.7478 7.5825 116.1918 59.3641 32.3782 179.1836 98 R 4.0338 7.7249 118.6577 59.3339 29.8699 178.5252 99 V 2.0000 7.2925 117.9218 65.6381 31.1729 177.8393 100 V 3.9337 7.2678 107.5581 62.2000 31.5702 177.5071 101 R 4.1521 7.6389 118.4976 57.0357 30.5803 175.9466 102 D 4.7379 7.2822 119.0139 53.0345 41.8258 175.3842 103 P 4.1662 0.0000 0.0000 66.0328 31.0543 177.4854 104 Q 3.9871 8.1678 119.5633 56.5691 30.3726 176.5349 105 G 3.8611 8.1576 107.3553 45.9856 0.0000 175.8280 106 I 3.6441 7.8057 119.7486 63.5226 37.9834 178.0688 107 R 4.3246 7.2900 117.8554 58.0391 29.9631 177.5334 108 A 3.8910 7.7913 120.8888 53.9668 18.6018 177.3832 109 W 4.7853 8.1241 116.3912 55.2015 29.9098 177.2626 110 V 3.7354 8.7465 123.9709 66.0273 30.8377 177.5164 111 A 4.0563 8.3179 120.1282 54.9288 18.1058 179.1886 112 W 4.0156 8.4342 126.8931 60.6658 30.5493 178.4817 113 R 3.6456 8.0931 116.5833 59.1695 29.6667 178.3910 114 N 4.3583 7.9746 115.4234 55.6553 38.7350 176.8688 115 R 4.1120 7.7674 114.1898 56.0176 30.5577 175.6882 116 C 4.5511 7.6874 116.1987 58.2100 42.4715 174.2196 117 Q 3.1928 6.3672 118.3161 57.4727 28.6085 175.5341 118 N 4.2038 8.7051 119.8615 54.2460 36.1939 173.7135 119 R 4.5562 7.3473 115.3006 53.9471 33.6548 175.3576 120 D 4.5416 8.5102 118.6245 54.3416 40.3465 175.7142 121 V 4.6145 8.2001 118.8101 61.1106 32.4845 178.3022 122 R 4.0418 8.0894 121.9485 59.3402 30.0798 178.7870 123 Q 3.9857 8.1860 114.4341 59.4542 28.3044 177.8404 124 Y 4.2387 7.8222 114.8522 59.9660 37.9559 176.2897 125 A 4.7124 7.9644 119.2538 51.3390 20.1207 175.6894 126 Q 4.0060 8.0142 118.3831 57.2706 29.6076 176.1540 127 G 3.9275 8.9536 112.4641 46.2276 0.0000 174.3948 128 C 4.5095 8.1536 115.0633 56.3272 40.8988 174.4736 129 G 3.9090 8.3263 107.4313 45.8401 0.0000 174.0732 130 V 4.0070 7.6594 117.8958 61.1447 32.0869 175.6292 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 K 8.17 4.17 0.00 1.84 1.68 0.00 1.29 0.00 0.00 0.98 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.95 1.15 7.81 2 V 8.21 4.52 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 0.90 0.00 0.00 0.95 0.00 0.00 3 F 9.99 4.33 0.00 2.82 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 4 E 8.74 4.30 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 2.23 0.00 5 R 8.99 3.33 0.00 1.92 1.94 0.00 3.49 0.00 0.00 3.46 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 6 C 8.05 4.31 0.00 3.00 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 7 E 8.12 3.89 0.00 2.06 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 2.56 2.41 0.00 8 L 8.03 3.60 0.00 1.32 1.34 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.93 3.94 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 10 R 8.12 3.88 0.00 1.87 1.99 0.00 3.13 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 1.65 1.83 0.00 11 T 7.85 3.87 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 1.20 0.00 0.00 12 L 8.15 3.86 0.00 1.72 1.58 0.94 0.36 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 13 K 7.97 3.88 0.00 1.95 1.92 0.00 1.66 0.00 0.00 1.58 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.86 3.94 0.00 1.93 2.09 0.00 3.30 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 15 L 7.48 4.37 0.00 1.67 1.55 0.85 0.90 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 16 G 7.85 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 M 7.79 3.92 0.00 1.20 1.92 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.19 0.00 18 D 8.01 4.68 0.00 2.67 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 19 G 9.39 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.45 4.17 0.00 3.40 3.23 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 0.00 21 R 9.05 3.62 0.00 1.91 1.86 0.00 3.30 0.00 0.00 3.07 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.37 0.00 22 G 8.10 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 23 I 7.61 4.06 1.67 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.54 -0.37 0.00 0.00 24 S 8.29 4.61 0.00 4.06 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 25 L 8.83 4.23 0.00 2.05 1.82 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.20 4.14 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.17 4.51 0.00 2.82 2.74 0.00 0.00 6.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 W 8.06 4.28 0.00 3.55 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 29 M 8.55 4.19 0.00 2.21 2.42 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.94 0.00 30 C 8.17 3.18 0.00 2.66 3.19 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 31 L 8.22 3.99 0.00 1.87 1.90 0.46 -0.20 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 32 A 8.34 4.06 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 33 K 8.07 2.73 0.00 1.53 1.60 0.00 0.65 0.00 0.00 1.17 0.00 0.00 2.66 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.93 0.21 7.81 34 W 7.46 4.33 0.00 3.34 3.22 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 35 E 8.34 4.33 0.00 2.00 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 0.00 2.54 2.34 0.00 36 S 8.01 4.51 0.00 4.05 4.11 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 37 G 7.96 3.30 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 0.00 38 Y 7.58 3.63 0.00 3.21 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 39 N 7.57 5.33 0.00 2.80 2.78 0.00 0.00 7.02 7.10 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 40 T 8.96 4.12 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 41 R 8.07 4.35 0.00 2.00 2.10 0.00 3.09 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 42 A 7.71 4.31 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 43 T 8.44 4.98 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 44 N 8.82 4.80 0.00 3.02 2.68 0.00 0.00 6.87 7.13 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 45 Y 8.73 4.62 0.00 2.91 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.48 4.56 0.00 2.65 2.61 0.00 0.00 6.57 7.63 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 47 A 8.49 3.67 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 48 G 8.14 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 0.00 0.00 0.00 49 D 7.74 4.65 0.00 2.70 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 50 R 7.76 3.80 0.00 2.03 2.21 0.00 3.16 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 51 S 7.88 4.93 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 52 T 8.94 5.09 4.18 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 0.64 0.00 0.00 53 D 8.92 5.49 0.00 2.68 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 54 Y 9.27 4.88 0.00 3.02 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 55 G 9.01 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 56 I 8.23 3.96 1.69 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.84 0.11 0.00 0.00 57 F 8.02 4.73 0.00 3.19 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 58 Q 7.87 3.53 0.00 2.50 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.77 0.00 0.00 0.00 0.00 0.00 2.52 2.70 0.00 59 I 8.42 4.56 2.15 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 1.18 0.00 0.00 60 N 9.21 5.42 0.00 3.08 3.03 0.00 0.00 6.98 7.24 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 61 S 9.05 4.70 0.00 4.06 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 62 R 8.67 3.83 0.00 1.59 1.39 0.00 2.42 0.00 0.00 2.80 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.25 0.00 63 Y 7.70 4.49 0.00 1.43 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 0.00 0.00 0.00 64 W 8.04 5.28 0.00 3.55 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 65 C 8.10 5.77 0.00 3.05 3.22 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 66 N 9.16 5.21 0.00 2.81 2.68 0.00 0.00 7.09 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.61 4.82 0.00 2.87 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 68 G 8.49 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 69 K 8.09 4.41 0.00 1.91 1.92 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.47 7.81 70 T 7.67 4.47 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 1.16 0.00 0.00 71 P 0.00 4.31 0.00 2.01 1.97 0.00 3.81 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 2.03 2.10 0.00 72 G 8.39 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 73 A 7.67 4.68 1.21 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 74 V 8.57 4.34 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 0.71 0.00 0.00 0.85 0.00 0.00 75 N 8.32 4.80 0.00 2.78 2.51 0.00 0.00 6.76 8.15 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 76 A 9.45 3.93 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 77 A 8.00 4.12 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.51 4.01 0.00 3.32 3.43 0.00 5.80 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.59 4.90 0.00 1.70 1.53 0.97 0.78 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 80 S 8.24 4.81 0.00 3.83 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 81 C 8.64 4.16 0.00 2.28 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 82 S 7.68 3.92 0.00 3.81 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 83 A 7.75 4.12 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 84 L 7.68 4.44 0.00 1.95 1.82 1.05 0.59 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 85 L 7.80 5.03 0.00 1.80 1.71 1.10 1.11 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 86 Q 7.78 4.43 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 7.11 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 87 D 8.49 4.42 0.00 2.63 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 88 N 8.03 4.61 0.00 2.70 2.75 0.00 0.00 6.96 7.94 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 89 I 8.47 4.29 1.82 0.00 0.00 0.52 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 0.68 0.95 0.00 0.00 90 A 8.54 3.94 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 91 D 8.09 4.31 0.00 2.72 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 92 A 7.99 4.08 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.16 3.29 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 0.69 0.00 0.00 0.91 0.00 0.00 94 A 8.03 3.83 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 95 A 8.25 3.90 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 3.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.58 3.75 0.00 1.61 1.42 0.00 1.30 0.00 0.00 0.91 0.00 0.00 2.22 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.30 0.90 7.81 98 R 7.72 4.03 0.00 1.98 2.09 0.00 3.28 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 99 V 7.29 2.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 -0.46 0.00 0.00 100 V 7.27 3.93 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 1.04 0.00 0.00 1.44 0.00 0.00 101 R 7.64 4.15 0.00 2.19 2.01 0.00 3.34 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 102 D 7.28 4.74 0.00 3.03 2.58 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 0.00 103 P 0.00 4.17 0.00 2.15 2.20 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 1.98 1.97 0.00 104 Q 8.17 3.99 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.87 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 105 G 8.16 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.81 3.64 0.99 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 -0.64 0.00 0.00 107 R 7.29 4.32 0.00 2.08 2.06 0.00 3.28 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.70 0.00 108 A 7.79 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.12 4.79 0.00 3.54 3.27 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 0.00 110 V 8.75 3.74 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 1.09 0.00 0.00 1.00 0.00 0.00 111 A 8.32 4.06 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.43 4.02 0.00 3.50 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 8.09 3.65 0.00 2.02 1.95 0.00 3.68 0.00 0.00 3.58 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.05 0.00 114 N 7.97 4.36 0.00 2.67 2.71 0.00 0.00 6.96 7.75 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 0.00 115 R 7.77 4.11 0.00 1.15 1.03 0.00 2.77 0.00 0.00 2.87 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.00 0.00 116 C 7.69 4.55 0.00 1.68 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 0.00 117 Q 6.37 3.19 0.00 0.93 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.88 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 118 N 8.71 4.20 0.00 2.80 2.82 0.00 0.00 6.80 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 0.00 119 R 7.35 4.56 0.00 1.77 1.80 0.00 3.20 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 120 D 8.51 4.54 0.00 2.65 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.20 4.61 2.40 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 1.05 0.00 0.00 1.07 0.00 0.00 122 R 8.09 4.04 0.00 1.90 2.02 0.00 3.17 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 123 Q 8.19 3.99 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.11 0.00 0.00 0.00 0.00 0.00 1.89 1.52 0.00 124 Y 7.82 4.24 0.00 3.26 3.16 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 0.00 125 A 7.96 4.71 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 0.00 126 Q 8.01 4.01 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.02 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 127 G 8.95 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 C 8.15 4.51 0.00 2.97 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 0.00 129 G 8.33 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 0.00 130 V 7.66 4.01 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 0.80 0.00 0.00 0.95 0.00 0.00