NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9248 8.3544 109.7370 45.8303 0.0000 172.9694 2 S 4.2453 8.0733 110.8405 55.4844 65.1331 173.2188 3 S 4.7195 8.8736 122.6394 57.0597 65.5578 173.3097 4 G 3.7428 8.4434 113.3166 45.8463 0.0000 171.8121 5 S 3.6004 8.8346 113.5896 58.5475 59.9016 171.7419 6 S 4.6454 7.9528 117.4640 57.3196 67.3246 174.0659 7 G 3.9167 8.9797 114.4518 46.8651 0.0000 173.2560 8 S 4.2555 9.2141 113.4024 59.7107 63.8122 173.0622 9 G 4.0752 7.4023 114.0601 42.4617 0.0000 173.7949 10 G 4.3298 6.5590 107.1315 44.1251 0.0000 170.5849 11 T 5.1108 7.6553 109.2193 59.6371 72.3237 173.1534 12 L 4.4722 8.1381 123.5620 53.5633 45.7131 175.3755 13 R 4.2162 8.5842 125.7033 55.5436 30.5470 176.4986 14 I 4.4711 8.9342 128.2981 59.3028 36.4421 176.7105 15 Y 3.9511 8.6245 124.0854 60.5117 38.4282 176.8760 16 A 3.8781 8.3581 120.2153 53.4859 15.8634 177.3026 17 D 4.8966 7.5968 121.1692 51.3912 39.8782 176.7155 18 S 4.9577 7.5187 127.0957 59.4808 65.2373 178.7990 19 L 3.8406 7.7694 121.1958 57.5142 41.9226 177.0945 20 K 4.2629 6.9633 117.2695 54.0068 33.5547 173.8787 21 P 4.3525 0.0000 0.0000 65.4279 31.9686 177.9747 22 N 4.3535 8.3330 115.4563 56.2661 38.5321 175.1889 23 I 4.0873 7.4794 117.6138 60.1654 37.5790 173.2719 24 P 4.5195 0.0000 0.0000 63.6561 31.7454 175.4247 25 Y 5.1148 7.8858 116.9025 54.2526 41.9926 175.1420 26 K 4.4291 8.5448 119.2825 54.6219 36.2564 175.4042 27 T 5.5671 8.4324 112.7894 58.7990 70.6870 173.0055 28 I 4.5598 8.0951 119.0573 58.3879 41.4063 174.7874 29 L 4.4403 8.5583 123.7592 55.1672 41.5557 176.0972 30 L 4.8273 8.4340 126.2080 53.4176 43.9751 175.1040 31 S 4.8948 8.2523 116.8829 55.8863 67.2504 174.2118 32 T 4.4519 7.9329 110.3273 61.0484 68.5096 173.9972 33 T 4.4442 7.6885 119.3966 65.5662 76.4400 174.4455 34 D 4.1986 6.9071 117.1344 54.5002 41.4436 176.1703 35 T 5.3250 8.1432 109.5005 59.4187 71.6303 175.0287 36 A 3.9651 8.4223 121.7499 55.5210 18.2609 178.9490 37 D 4.6430 8.2043 116.2561 57.7996 41.0278 178.1521 38 F 3.9801 8.4159 119.8616 61.4284 39.1841 176.5452 39 A 3.9536 7.9424 119.5703 55.6882 18.1848 179.0776 40 V 3.6870 8.7300 116.9124 66.5964 31.4253 177.5683 41 A 3.9585 8.4238 119.8823 55.7951 18.3179 178.9242 42 E 3.6030 8.0562 116.2390 59.8554 29.5520 179.4684 43 S 3.9334 8.8775 113.5020 62.1550 62.4249 175.9841 44 L 4.0833 8.6694 121.2561 57.9262 41.3113 179.0391 45 E 3.9123 8.8638 118.1918 60.2831 29.4559 179.3522 46 K 3.6346 8.1995 116.1462 60.5381 32.1818 178.3325 47 Y 4.3578 7.9374 118.0528 59.6400 38.0079 177.4265 48 G 4.2436 8.0536 108.7532 46.1505 0.0000 174.2515 49 L 4.7539 8.5797 117.1190 53.4854 41.6950 177.0759 50 E 4.5267 7.7044 112.2351 55.5892 30.4285 176.8354 51 K 4.6652 7.9277 117.4604 58.8899 40.3500 176.9151 52 E 3.9635 7.2503 114.4221 56.4878 30.0473 176.1738 53 N 4.5209 8.1890 118.5882 51.8009 38.5281 173.8991 54 P 4.3600 0.0000 0.0000 64.6906 31.9876 178.4771 55 K 4.1801 7.7041 117.8225 58.9365 32.1392 178.0053 56 D 4.3919 7.5340 119.3346 56.8794 40.9946 176.2859 57 Y 4.7287 6.5209 115.6638 57.4650 39.2160 174.2016 58 C 4.9280 8.5930 121.7303 58.2405 35.8759 172.2343 59 I 4.7716 8.4339 119.4997 59.7855 38.4951 174.4833 60 A 4.8037 8.7922 130.6215 50.6866 20.1234 176.1140 61 R 4.4001 8.6053 119.9424 55.4072 31.8539 175.4934 62 V 4.4086 9.2735 123.5047 61.4529 33.8537 173.9541 63 M 5.2366 8.0840 126.6505 53.3465 34.4100 175.8643 64 L 4.5614 8.5258 123.8766 53.9600 42.6791 175.2303 65 P 4.6630 0.0000 0.0000 61.8320 32.0650 174.6549 66 P 4.3302 0.0000 0.0000 65.1086 32.0001 177.6537 67 G 3.9226 7.7820 108.9087 43.4337 0.0000 172.2744 68 A 4.6215 7.1612 121.1535 50.9564 22.8836 176.6202 69 Q 4.8569 8.2496 118.8678 55.1507 30.6622 170.6651 70 H 4.8800 8.0924 122.3899 56.5756 37.7690 172.9445 71 S 4.8589 7.7819 112.2045 56.7735 66.2388 172.5520 72 D 4.8146 8.3487 119.2912 54.4271 42.5844 176.2687 73 E 3.6140 8.8159 119.0161 56.8210 27.3126 174.0567 74 R 3.6875 7.5992 116.5077 57.1784 30.3799 177.5829 75 G 3.9061 8.5391 114.9019 46.2164 0.0000 171.9910 76 A 4.3457 7.7044 119.8094 51.3797 19.8104 177.4276 77 K 4.7156 8.2226 119.5054 54.5296 34.8748 175.4951 78 E 4.7070 8.8153 123.1027 55.2663 31.9239 175.6612 79 I 4.5759 8.3382 121.5558 59.4176 40.1583 175.5618 80 I 3.8960 8.6867 127.9259 62.1121 37.7369 175.3725 81 L 4.3251 7.7084 123.8303 53.3523 43.4403 175.5311 82 D 4.1498 9.0480 117.6526 56.0756 41.6034 177.4192 83 D 5.2089 7.5590 128.9347 55.3878 42.3763 177.8214 84 D 5.0565 7.9256 116.7949 53.1091 40.0883 176.2231 85 E 4.3482 7.8580 120.5626 56.4231 31.4800 174.8452 86 C 4.6979 8.2527 116.2990 57.2502 29.1676 173.3837 87 P 3.6660 0.0000 0.0000 64.0231 30.9554 177.6570 88 L 3.9935 7.4280 120.1774 57.5563 42.6041 177.6737 89 Q 4.0362 7.9908 118.8764 59.3030 28.7643 177.9933 90 I 3.8240 7.6630 119.5138 64.6312 37.4666 177.7683 91 F 4.4199 8.0779 121.1025 61.6169 39.0919 177.0356 92 R 4.0075 8.5545 116.6111 58.5350 30.8687 177.3346 93 E 4.7115 8.2072 116.0233 55.4306 29.7464 175.8964 94 W 4.8420 8.1361 128.5873 54.5763 33.2109 173.1196 95 P 4.1611 0.0000 0.0000 62.0227 31.5254 177.4087 96 S 4.0805 8.4688 118.8868 61.2768 62.7003 175.8711 97 D 4.2573 7.8116 120.4847 57.1482 41.0268 178.0331 98 K 4.0012 7.1611 117.4132 56.5329 32.0639 176.5659 99 G 4.1002 7.5249 105.2486 43.4904 0.0000 173.5606 100 I 4.1204 8.4494 119.6274 61.5337 38.4738 174.8488 101 L 4.9031 8.5314 125.5252 53.2673 44.0328 175.7443 102 V 4.5059 8.2676 124.7112 61.1821 35.4397 174.0887 103 F 5.1282 8.9787 125.3413 56.1831 40.9893 174.3215 104 Q 4.6919 9.1249 123.6055 54.4299 31.2880 174.9078 105 L 5.1297 8.3654 124.0612 53.7320 43.5196 175.3828 106 K 4.4480 8.4469 123.1291 55.3190 36.2416 175.1683 107 R 4.7371 8.6445 121.8036 57.2434 30.5706 175.3509 108 R 4.9172 8.0595 118.7306 53.3150 32.6305 173.6584 109 P 4.4499 0.0000 0.0000 61.9564 31.9348 174.5510 110 P 4.3139 0.0000 0.0000 65.1524 31.5991 177.5396 111 S 4.2875 7.9003 116.4874 58.9043 64.4712 175.4088 112 G 4.0384 8.6296 110.6336 44.0786 0.0000 169.3718 113 P 4.2548 0.0000 0.0000 63.0211 32.0494 174.6579 114 S 3.5408 8.6791 119.0644 58.6657 60.4854 172.8134 115 S 4.0934 8.8129 119.3989 60.9197 63.3618 174.7400 116 G 4.3276 8.0649 114.1038 45.2079 0.0000 172.7987 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 G 8.35 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 0.00 0.00 0.00 2 S 8.07 4.25 0.00 3.87 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 3 S 8.87 4.72 0.00 4.01 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 4 G 8.44 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 0.00 0.00 0.00 5 S 8.83 3.60 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 6 S 7.95 4.65 0.00 3.95 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 7 G 8.98 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 0.00 0.00 0.00 8 S 9.21 4.26 0.00 3.78 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 9 G 7.40 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 0.00 0.00 0.00 10 G 6.56 4.33 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 0.00 11 T 7.66 5.11 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 1.19 0.00 0.00 12 L 8.14 4.47 0.00 1.55 1.37 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.58 4.22 0.00 1.51 1.00 0.00 3.18 0.00 0.00 3.02 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 14 I 8.93 4.47 1.83 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 1.32 1.71 1.04 0.00 0.00 15 Y 8.62 3.95 0.00 3.28 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 16 A 8.36 3.88 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 17 D 7.60 4.90 0.00 2.70 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 18 S 7.52 4.96 0.00 3.81 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 19 L 7.77 3.84 0.00 1.47 1.37 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 20 K 6.96 4.26 0.00 0.79 1.13 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.12 1.10 7.81 21 P 0.00 4.35 0.00 2.15 2.14 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 22 N 8.33 4.35 0.00 2.71 2.97 0.00 0.00 6.92 7.44 0.00 0.00 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 7.48 4.09 2.21 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.41 1.01 0.00 0.00 24 P 0.00 4.52 0.00 2.55 2.15 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 25 Y 7.89 5.11 0.00 2.75 3.04 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 26 K 8.54 4.43 0.00 1.35 1.22 0.00 1.15 0.00 0.00 1.29 0.00 0.00 2.60 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.78 0.21 7.81 27 T 8.43 5.57 4.20 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 1.31 0.00 0.00 28 I 8.10 4.56 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.89 0.77 0.00 0.00 29 L 8.56 4.44 0.00 1.56 1.71 0.95 0.89 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 30 L 8.43 4.83 0.00 1.58 1.47 1.04 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.25 4.89 0.00 3.81 3.64 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 32 T 7.93 4.45 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 1.24 0.00 0.00 33 T 7.69 4.44 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 1.13 0.00 0.00 34 D 6.91 4.20 0.00 2.50 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.14 5.33 4.43 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 1.22 0.00 0.00 36 A 8.42 3.97 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 37 D 8.20 4.64 0.00 2.75 2.77 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 38 F 8.42 3.98 0.00 3.14 3.18 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 39 A 7.94 3.95 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 40 V 8.73 3.69 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 1.30 0.00 0.00 1.09 0.00 0.00 41 A 8.42 3.96 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 42 E 8.06 3.60 0.00 1.93 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 1.66 1.61 0.00 43 S 8.88 3.93 0.00 3.79 4.16 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 44 L 8.67 4.08 0.00 1.97 1.96 1.10 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.86 3.91 0.00 2.00 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 2.31 2.57 0.00 46 K 8.20 3.63 0.00 1.59 1.52 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.47 7.81 47 Y 7.94 4.36 0.00 3.13 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 48 G 8.05 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 49 L 8.58 4.75 0.00 1.74 1.72 0.95 1.02 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 50 E 7.70 4.53 0.00 2.06 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 2.25 2.32 0.00 51 K 7.93 4.67 0.00 1.73 1.83 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.46 7.81 52 E 7.25 3.96 0.00 2.14 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 2.44 2.56 0.00 53 N 8.19 4.52 0.00 2.58 2.45 0.00 0.00 6.68 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 54 P 0.00 4.36 0.00 2.23 2.28 0.00 3.65 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 55 K 7.70 4.18 0.00 1.69 1.86 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.36 7.81 56 D 7.53 4.39 0.00 2.04 2.53 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 57 Y 6.52 4.73 0.00 3.16 2.77 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 58 C 8.59 4.93 0.00 3.05 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 59 I 8.43 4.77 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.07 1.00 0.00 0.00 60 A 8.79 4.80 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.61 4.40 0.00 1.23 1.83 0.00 2.59 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.47 0.00 62 V 9.27 4.41 1.97 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 0.90 0.00 0.00 0.88 0.00 0.00 63 M 8.08 5.24 0.00 2.37 2.02 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.74 0.00 64 L 8.53 4.56 0.00 1.62 1.64 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.66 0.00 2.09 2.08 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.21 0.00 66 P 0.00 4.33 0.00 2.19 2.20 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 67 G 7.78 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 0.00 0.00 0.00 68 A 7.16 4.62 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 69 Q 8.25 4.86 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 70 H 8.09 4.88 0.00 3.06 3.20 0.00 5.74 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 71 S 7.78 4.86 0.00 3.75 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 72 D 8.35 4.81 0.00 2.72 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 73 E 8.82 3.61 0.00 2.12 1.92 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 2.22 2.29 0.00 74 R 7.60 3.69 0.00 1.84 1.94 0.00 3.31 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 75 G 8.54 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 76 A 7.70 4.35 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 77 K 8.22 4.72 0.00 1.78 1.70 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.49 7.81 78 E 8.82 4.71 0.00 1.99 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 2.20 2.32 0.00 79 I 8.34 4.58 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.67 0.93 0.00 0.00 80 I 8.69 3.90 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.76 0.95 0.00 0.00 81 L 7.71 4.33 0.00 1.61 1.63 1.14 1.21 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 82 D 9.05 4.15 0.00 2.69 2.62 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 83 D 7.56 5.21 0.00 2.72 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 84 D 7.93 5.06 0.00 2.79 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.86 4.35 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 86 C 8.25 4.70 0.00 2.94 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 87 P 0.00 3.67 0.00 1.09 1.20 0.00 3.53 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 88 L 7.43 3.99 0.00 1.68 1.77 1.00 0.73 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 89 Q 7.99 4.04 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.65 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 90 I 7.66 3.82 2.24 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.79 1.08 0.00 0.00 91 F 8.08 4.42 0.00 3.51 3.37 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 92 R 8.55 4.01 0.00 2.07 2.13 0.00 3.45 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.97 0.00 93 E 8.21 4.71 0.00 2.01 1.94 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 2.25 2.24 0.00 94 W 8.14 4.84 0.00 3.44 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 95 P 0.00 4.16 0.00 1.81 1.86 0.00 2.20 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.52 0.00 96 S 8.47 4.08 0.00 4.04 4.12 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 0.00 0.00 0.00 97 D 7.81 4.26 0.00 2.57 2.59 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 0.00 0.00 0.00 0.00 98 K 7.16 4.00 0.00 0.95 1.43 0.00 1.32 0.00 0.00 0.95 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 1.03 7.81 99 G 7.52 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 0.00 100 I 8.45 4.12 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.21 0.94 0.00 0.00 101 L 8.53 4.90 0.00 0.57 1.35 -0.52 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.27 4.51 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.90 0.00 0.00 103 F 8.98 5.13 0.00 2.99 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 0.00 104 Q 9.12 4.69 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 105 L 8.37 5.13 0.00 1.70 1.65 1.10 0.61 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 0.00 106 K 8.45 4.45 0.00 1.89 1.78 0.00 1.30 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.43 7.81 107 R 8.64 4.74 0.00 1.91 1.97 0.00 3.25 0.00 0.00 3.35 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.92 0.00 108 R 8.06 4.92 0.00 1.87 1.91 0.00 3.26 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 109 P 0.00 4.45 0.00 2.22 2.13 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 110 P 0.00 4.31 0.00 2.21 2.22 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 111 S 7.90 4.29 0.00 3.84 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 0.00 112 G 8.63 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 0.00 113 P 0.00 4.25 0.00 2.20 2.07 0.00 3.93 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 114 S 8.68 3.54 0.00 4.03 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 0.00 115 S 8.81 4.09 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 8.06 4.33 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 0.00