NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6697 8.3649 120.5311 54.3493 42.2815 175.4332 2 C 4.9043 8.4170 119.8776 54.2353 44.5082 172.5101 3 S 4.3454 8.3546 118.0393 58.2259 64.0201 173.6963 4 S 4.4411 8.4546 117.1463 60.0579 62.4143 174.3846 5 G 4.0370 9.2851 116.1455 44.6367 0.0000 172.9800 6 W 4.8594 8.0300 119.0422 55.4006 30.8730 176.0031 7 S 5.1360 9.3496 120.2820 57.1464 64.7783 173.3524 8 S 5.6175 8.7007 117.6731 57.2781 65.7019 173.2164 9 Y 4.1508 9.2023 122.0104 57.8589 41.9298 174.5989 10 E 3.6151 9.1549 128.5427 57.4003 26.8891 175.6718 11 G 3.8572 7.9662 102.6741 45.9795 0.0000 171.9507 12 H 5.1976 8.0385 116.2550 53.9888 32.9842 172.0233 13 C 5.7923 8.4834 116.3422 55.6754 42.1175 172.9196 14 Y 5.7113 9.9796 120.7202 56.5961 42.2337 174.7739 15 K 4.1465 8.5145 121.3418 55.3902 35.8012 174.6835 16 V 4.1201 7.9072 127.9603 62.1306 32.9290 174.8692 17 F 4.3215 8.5066 126.4046 55.3135 40.6673 176.8029 18 K 3.9134 8.6557 124.1472 58.6143 32.3923 177.8766 19 Q 4.0777 7.7988 117.3081 56.1411 29.1400 174.9548 20 S 4.9150 8.4455 116.8310 57.7736 63.9847 173.5868 21 K 4.8539 9.1177 123.2836 54.5735 37.0247 175.9765 22 T 5.3054 8.2556 111.4058 60.8221 70.1386 175.2426 23 W 2.8789 8.1677 131.9372 60.7474 30.4138 178.2570 24 T 3.8775 7.9091 114.6818 66.9749 67.9528 176.1969 25 D 4.2063 7.8414 120.0541 56.9755 40.6641 178.6941 26 A 2.8727 7.7155 121.6757 54.6539 18.3356 179.1716 27 E 3.3932 7.3690 117.7912 59.3046 29.3618 178.9522 28 S 3.9521 7.5959 111.6672 61.2720 62.7455 175.4213 29 F 4.1273 8.3811 123.6885 61.5889 39.1088 176.3867 30 C 4.2722 8.3730 116.4712 60.2443 39.8041 176.2307 31 T 3.8959 7.3759 110.8606 63.5336 68.2406 175.6790 32 K 4.1758 7.3559 119.3474 57.3519 32.6334 178.2289 33 Q 4.1254 7.5455 118.3969 57.4652 29.3284 176.4048 34 V 4.2477 6.6334 116.7096 59.8864 33.9671 172.8148 35 N 4.4440 8.3293 119.9743 54.8196 38.6860 175.6727 36 G 3.8621 8.8931 111.1814 45.0106 0.0000 173.5361 37 G 3.8012 7.7093 107.5597 46.8702 0.0000 172.7996 38 H 5.0749 8.7990 118.3901 54.1712 34.1516 172.9557 39 L 4.6776 8.7857 120.4279 54.5238 42.1918 178.1827 40 V 4.1920 8.7451 122.2346 62.3063 32.5380 175.1772 41 S 4.8914 9.4172 117.4226 56.5638 64.9255 173.7109 42 I 4.5812 8.4060 125.2667 60.3390 37.2625 174.7609 43 E 4.7760 9.4580 124.7685 55.5060 29.9847 176.5495 44 S 4.6774 7.6487 112.9376 56.5916 66.2278 176.9545 45 S 4.2595 8.4688 118.8520 61.8454 62.6345 177.0680 46 G 3.8451 8.2521 107.6984 48.0180 0.0000 175.0104 47 E 3.7504 8.2829 121.3788 58.8253 29.6979 178.5579 48 A 4.1385 8.4714 121.1648 55.3887 18.4038 179.4405 49 D 4.3245 8.4074 117.4041 57.4090 40.8895 178.6673 50 F 3.8435 7.9074 121.0429 61.2811 39.2309 177.3284 51 V 3.1813 8.0025 118.3262 65.6068 31.2939 178.1016 52 G 3.5616 8.0768 105.5378 48.0659 0.0000 175.7466 53 Q 3.9725 7.6780 119.4934 58.1659 29.0277 178.1405 54 L 3.7608 7.4976 121.5491 58.0099 41.9574 179.0765 55 I 3.2776 7.5566 119.5017 64.3295 36.8017 178.2008 56 A 4.0946 7.6048 119.7595 55.3862 18.1200 179.3816 57 Q 4.0253 7.5677 115.2574 58.0180 28.7659 177.1931 58 K 4.2443 8.0000 117.9547 56.4191 34.2365 176.2312 59 I 4.2515 7.3811 119.3217 59.8475 37.7742 175.1892 60 K 4.6552 8.5997 124.0364 55.8787 33.2041 175.7357 61 S 4.7361 8.1030 112.2954 56.6292 63.5337 173.5509 62 A 4.5466 8.2618 126.1448 51.8329 19.7774 178.2120 63 K 3.9534 7.9858 114.9403 57.6692 33.0880 176.2254 64 I 4.5158 7.0011 112.7213 59.4097 40.6513 172.5654 65 H 4.9761 8.0217 115.1565 53.8528 31.9887 172.5526 66 V 4.4624 8.3912 117.4721 60.5822 33.6048 174.8788 67 W 5.2890 9.1118 128.7448 57.0090 30.0956 175.3763 68 I 4.8414 8.9845 116.9604 58.4238 40.7224 176.1083 69 G 4.0597 9.1223 109.9309 46.0089 0.0000 172.8325 70 L 4.7048 7.7546 122.9513 53.1523 43.7735 175.3368 71 R 4.6926 8.1566 124.5904 54.6090 33.3727 173.9018 72 A 4.1370 8.3517 127.5137 51.2604 18.2955 177.6269 73 Q 3.9219 8.8151 122.5500 59.1407 29.1380 177.7111 74 N 4.2942 7.9743 113.5714 53.7798 38.9940 175.1658 75 K 4.0634 8.4758 120.9834 58.8246 32.6797 177.6935 76 E 4.1222 7.9065 116.9111 56.1772 29.9532 177.1977 77 K 3.8376 8.3950 120.2089 58.8914 32.2906 177.3624 78 Q 4.4786 7.4967 113.6344 55.0764 31.5063 174.0167 79 C 4.5893 8.3528 114.2327 59.5510 28.7725 174.6921 80 S 4.2964 7.8010 116.1134 58.6195 62.9384 173.9104 81 I 4.1675 7.9630 122.0833 61.4665 38.8391 174.7625 82 E 4.7908 7.3383 115.8575 55.6299 31.8195 174.7047 83 W 4.6494 8.7024 120.5425 55.7206 29.9456 178.0409 84 S 4.2633 8.8663 114.2113 61.0723 62.4375 174.7406 85 D 4.6446 8.3161 119.0602 53.0715 39.3990 176.7862 86 G 4.6192 8.3232 110.1860 46.2412 0.0000 174.8342 87 S 4.3617 8.3962 114.4080 58.1727 63.6153 174.2211 88 S 4.7042 8.4075 117.9165 58.4387 63.3605 175.0416 89 I 4.4549 8.1644 124.0194 60.8356 35.4350 175.9158 90 S 4.7765 8.5822 117.4037 57.9919 63.8598 173.9227 91 Y 4.9317 7.6569 120.4985 56.8466 41.4858 173.2136 92 E 4.4962 7.5182 123.5102 55.2224 34.1294 175.2502 93 N 4.8256 7.7141 117.5391 52.1169 39.1321 174.7412 94 W 4.3085 7.9073 117.9590 56.6459 30.4971 176.6263 95 I 4.2753 8.5572 122.4541 60.6193 37.4870 176.6083 96 E 3.9278 8.8446 126.0269 59.6798 29.3802 179.6404 97 E 2.6445 7.6031 115.2711 57.8776 29.4798 177.6831 98 E 4.1507 8.5899 118.3500 57.1744 29.9663 176.3981 99 S 3.9291 7.6185 114.3666 56.8194 61.8279 173.8298 100 K 4.5712 8.1970 128.8273 54.8788 31.3463 176.0093 101 K 4.4329 8.1478 119.6809 55.9684 33.9166 175.8385 102 C 4.9076 8.1958 118.2401 54.9798 37.8057 173.2105 103 L 5.4242 8.5814 122.6016 53.9434 44.1001 175.6080 104 G 4.8382 9.0419 107.1500 45.8442 0.0000 172.0210 105 V 5.2917 8.9895 113.1051 59.7741 34.9717 174.7468 106 H 5.2707 8.7375 122.7887 54.1120 32.7648 174.7486 107 I 2.0468 7.8349 122.9055 63.2559 37.9813 177.8806 108 E 4.0262 8.4096 118.8792 58.6187 29.3903 177.5106 109 T 4.4156 7.6243 106.9187 60.9313 69.0340 174.1481 110 G 3.6975 8.0933 108.2076 46.8508 0.0000 174.0735 111 F 3.9911 7.5970 114.5669 59.3310 36.5151 175.3923 112 H 4.8845 8.1927 115.6898 57.4452 30.8932 175.7640 113 K 4.0952 7.9499 117.8692 56.1531 32.5015 176.5961 114 W 5.0521 8.6151 123.4953 56.3992 29.9491 175.4765 115 E 4.6994 9.2577 124.7897 54.3409 32.1491 175.1409 116 N 4.9652 8.3201 120.6365 53.1699 39.6312 174.5372 117 F 5.2051 9.5624 121.3366 55.4644 44.3680 173.7192 118 Y 4.8586 9.0328 122.1588 57.9532 39.3138 177.6337 119 C 3.9765 8.9336 125.1448 59.8989 40.4235 174.9157 120 E 4.0736 6.1826 116.2150 55.9906 29.4568 176.1472 121 Q 4.2924 8.0667 121.6659 56.1140 29.7742 174.4375 122 Q 5.1797 8.5242 122.7395 54.7977 30.2584 174.5970 123 D 4.6306 9.3395 123.0850 52.1158 46.3252 172.9978 124 P 5.1425 0.0000 0.0000 62.7053 33.1664 174.8753 125 F 5.2798 7.8928 114.4331 56.4843 41.8826 172.9373 126 V 4.9477 8.3976 118.0681 61.4225 34.5470 173.5598 127 C 5.6202 9.4255 124.8175 55.5849 42.3368 172.3929 128 E 5.3055 9.5199 121.8516 54.6696 33.2857 175.1891 129 A 4.1932 8.5383 126.2299 52.2852 19.0911 175.9237 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 D 8.36 4.67 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 2 C 8.42 4.90 0.00 3.12 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 3 S 8.35 4.35 0.00 3.60 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 4 S 8.45 4.44 0.00 3.88 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 5 G 9.29 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 6 W 8.03 4.86 0.00 3.37 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 7 S 9.35 5.14 0.00 4.05 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 0.00 8 S 8.70 5.62 0.00 3.92 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 9 Y 9.20 4.15 0.00 1.43 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 0.00 0.00 0.00 10 E 9.15 3.62 0.00 1.69 1.65 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 1.47 1.58 0.00 11 G 7.97 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 12 H 8.04 5.20 0.00 3.37 2.85 0.00 5.56 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 8.48 5.79 0.00 2.83 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 14 Y 9.98 5.71 0.00 3.08 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.51 4.15 0.00 0.79 0.74 0.00 0.81 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.30 0.21 7.81 16 V 7.91 4.12 1.75 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 0.54 0.00 0.00 0.68 0.00 0.00 17 F 8.51 4.32 0.00 1.51 2.27 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 18 K 8.66 3.91 0.00 1.63 1.78 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.30 1.25 7.81 19 Q 7.80 4.08 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.19 0.00 20 S 8.45 4.91 0.00 3.78 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 21 K 9.12 4.85 0.00 1.37 1.41 0.00 0.94 0.00 0.00 1.33 0.00 0.00 2.30 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.29 7.81 22 T 8.26 5.31 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 1.26 0.00 0.00 23 W 8.17 2.88 0.00 1.88 2.65 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 24 T 7.91 3.88 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 1.19 0.00 0.00 25 D 7.84 4.21 0.00 2.55 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 26 A 7.72 2.87 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.37 3.39 0.00 1.16 1.56 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 2.07 2.16 0.00 28 S 7.60 3.95 0.00 3.81 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 29 F 8.38 4.13 0.00 3.00 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 30 C 8.37 4.27 0.00 3.10 3.21 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 31 T 7.38 3.90 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 1.10 0.00 0.00 32 K 7.36 4.18 0.00 1.59 1.71 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.50 7.81 33 Q 7.55 4.13 0.00 2.27 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.60 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 34 V 6.63 4.25 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 0.38 0.00 0.00 0.49 0.00 0.00 35 N 8.33 4.44 0.00 2.61 2.72 0.00 0.00 7.10 7.65 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 36 G 8.89 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 37 G 7.71 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 38 H 8.80 5.07 0.00 3.05 3.12 0.00 5.62 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.79 4.68 0.00 1.37 1.59 -0.46 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.75 4.19 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 0.91 0.00 0.00 1.34 0.00 0.00 41 S 9.42 4.89 0.00 4.00 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 42 I 8.41 4.58 2.23 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.75 1.25 0.00 0.00 43 E 9.46 4.78 0.00 2.12 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 0.00 2.37 2.35 0.00 44 S 7.65 4.68 0.00 4.08 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 45 S 8.47 4.26 0.00 3.94 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 46 G 8.25 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 47 E 8.28 3.75 0.00 2.36 2.29 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 2.50 2.52 0.00 48 A 8.47 4.14 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.41 4.32 0.00 2.88 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 50 F 7.91 3.84 0.00 2.34 2.39 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 51 V 8.00 3.18 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 1.01 0.00 0.00 0.90 0.00 0.00 52 G 8.08 3.56 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 0.00 0.00 0.00 53 Q 7.68 3.97 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 54 L 7.50 3.76 0.00 0.94 1.33 0.72 0.80 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 55 I 7.56 3.28 1.45 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.46 -0.43 0.00 0.00 56 A 7.60 4.09 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.57 4.03 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 58 K 8.00 4.24 0.00 1.48 1.64 0.00 1.40 0.00 0.00 1.46 0.00 0.00 2.77 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.21 1.18 7.81 59 I 7.38 4.25 1.54 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.48 0.87 0.00 0.00 60 K 8.60 4.66 0.00 1.68 1.75 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.37 7.81 61 S 8.10 4.74 0.00 3.77 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 62 A 8.26 4.55 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 63 K 7.99 3.95 0.00 1.86 1.94 0.00 1.40 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.39 7.81 64 I 7.00 4.52 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.52 0.79 0.00 0.00 65 H 8.02 4.98 0.00 3.11 2.90 0.00 5.50 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.39 4.46 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 0.93 0.00 0.00 0.68 0.00 0.00 67 W 9.11 5.29 0.00 3.41 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 68 I 8.98 4.84 1.85 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.24 1.01 0.00 0.00 69 G 9.12 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 0.00 0.00 0.00 70 L 7.75 4.70 0.00 1.48 1.34 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.16 4.69 0.00 0.67 0.98 0.00 2.21 0.00 0.00 2.51 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.84 0.00 72 A 8.35 4.14 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 73 Q 8.82 3.92 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 74 N 7.97 4.29 0.00 2.60 2.98 0.00 0.00 6.94 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 75 K 8.48 4.06 0.00 1.70 1.82 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.41 7.81 76 E 7.91 4.12 0.00 1.93 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 2.29 2.38 0.00 77 K 8.40 3.84 0.00 1.59 0.83 0.00 1.26 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.46 7.81 78 Q 7.50 4.48 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.02 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 79 C 8.35 4.59 0.00 2.93 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.80 4.30 0.00 3.76 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 81 I 7.96 4.17 1.87 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 1.49 0.82 0.91 0.00 0.00 82 E 7.34 4.79 0.00 2.40 2.03 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 2.25 2.34 0.00 83 W 8.70 4.65 0.00 3.62 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 84 S 8.87 4.26 0.00 4.04 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 85 D 8.32 4.64 0.00 2.78 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 86 G 8.32 4.62 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 87 S 8.40 4.36 0.00 4.05 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 88 S 8.41 4.70 0.00 3.97 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 89 I 8.16 4.45 1.89 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.39 0.99 0.00 0.00 90 S 8.58 4.78 0.00 4.06 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 91 Y 7.66 4.93 0.00 2.97 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 92 E 7.52 4.50 0.00 1.87 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 2.26 2.32 0.00 93 N 7.71 4.83 0.00 2.37 2.61 0.00 0.00 7.06 7.95 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 94 W 7.91 4.31 0.00 3.25 3.02 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 95 I 8.56 4.28 1.96 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 1.44 0.99 0.92 0.00 0.00 96 E 8.84 3.93 0.00 1.88 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 2.42 2.36 0.00 97 E 7.60 2.64 0.00 1.74 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.78 0.00 98 E 8.59 4.15 0.00 2.45 2.41 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 2.40 2.53 0.00 99 S 7.62 3.93 0.00 3.18 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 0.00 100 K 8.20 4.57 0.00 1.74 1.70 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.47 7.81 101 K 8.15 4.43 0.00 1.51 1.60 0.00 1.41 0.00 0.00 1.65 0.00 0.00 2.66 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 1.29 7.81 102 C 8.20 4.91 0.00 2.87 2.45 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 0.00 103 L 8.58 5.42 0.00 1.65 1.66 1.03 0.84 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 0.00 104 G 9.04 4.84 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 0.00 0.00 0.00 105 V 8.99 5.29 2.27 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 1.06 0.00 0.00 1.21 0.00 0.00 106 H 8.74 5.27 0.00 3.38 3.26 0.00 5.68 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.83 2.05 1.59 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 1.17 0.73 0.79 0.00 0.00 108 E 8.41 4.03 0.00 1.99 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 2.40 2.17 0.00 109 T 7.62 4.42 4.26 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 1.22 0.00 0.00 110 G 8.09 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 7.60 3.99 0.00 3.20 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 0.00 112 H 8.19 4.88 0.00 3.24 3.35 0.00 5.85 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 7.95 4.10 0.00 1.81 1.77 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.41 7.81 114 W 8.62 5.05 0.00 3.30 3.05 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 0.00 115 E 9.26 4.70 0.00 1.62 1.23 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 2.18 2.32 0.00 116 N 8.32 4.97 0.00 2.46 2.87 0.00 0.00 6.74 7.45 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 0.00 117 F 9.56 5.21 0.00 3.11 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 0.00 118 Y 9.03 4.86 0.00 3.23 3.06 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 0.00 119 C 8.93 3.98 0.00 2.71 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 0.00 120 E 6.18 4.07 0.00 1.18 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 1.72 2.14 0.00 121 Q 8.07 4.29 0.00 2.64 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 122 Q 8.52 5.18 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 123 D 9.34 4.63 0.00 1.58 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 0.00 0.00 0.00 124 P 0.00 5.14 0.00 1.92 1.93 0.00 3.99 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.82 0.00 125 F 7.89 5.28 0.00 3.17 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 0.00 126 V 8.40 4.95 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 1.09 0.00 0.00 0.89 0.00 0.00 127 C 9.43 5.62 0.00 3.33 3.34 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 0.00 128 E 9.52 5.31 0.00 1.95 1.72 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 1.88 1.47 0.00 129 A 8.54 4.19 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00