NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4332 8.3349 115.4057 58.1562 64.1577 175.6412 4 V 4.2317 8.2169 111.2446 56.2161 33.7661 172.6346 5 P 4.1727 0.0000 0.0000 62.6231 32.1991 174.0714 6 P 5.1699 0.0000 0.0000 61.8460 32.1979 175.7992 7 G 4.1851 8.3922 107.0075 45.6776 0.0000 172.7993 8 D 5.4033 8.6747 119.7728 52.6682 41.5459 175.1604 9 I 4.8544 8.0654 111.9582 59.1044 40.8226 174.1359 10 N 5.1234 8.8831 120.3889 51.5909 41.6273 173.9391 11 T 5.5952 8.2160 111.7740 59.0049 72.8572 172.8936 12 Q 4.4920 8.2692 121.2247 53.4010 32.3225 173.3619 13 P 4.8429 0.0000 0.0000 62.0804 32.7115 175.9673 14 G 4.2546 7.9427 106.5985 45.4367 0.0000 172.5448 15 S 4.7903 8.0624 117.6620 59.0488 70.0800 175.4584 16 K 4.5214 7.7711 116.1533 56.7878 35.2215 174.4429 17 I 4.4306 8.3678 119.4514 60.0441 41.5255 173.8051 18 V 4.8513 8.3019 129.1738 61.3192 33.5036 174.5056 19 F 4.7848 9.5992 126.6004 55.9597 41.0359 174.3585 20 N 5.3860 9.3588 121.9621 51.9184 39.8790 175.2650 21 A 3.0974 8.6146 125.7428 50.5404 19.5031 175.1048 22 P 3.9570 0.0000 0.0000 62.0119 32.2411 176.7437 23 Y 4.8040 7.3820 119.4636 57.4906 36.6393 176.0446 24 D 4.9458 7.4381 113.6960 52.3464 40.8030 175.4678 25 D 4.6173 7.7837 115.8451 53.3666 44.1938 174.6385 26 K 4.8662 8.8679 125.9926 57.0875 32.7559 175.2370 27 H 4.7492 9.0782 127.8784 55.3191 32.1594 174.0535 28 T 4.9511 7.7422 120.3750 62.2554 70.5596 173.2135 29 Y 4.5807 9.1380 125.4476 57.2125 40.4258 174.1746 30 H 5.5181 8.7400 116.0645 54.4494 32.9651 173.4484 31 I 4.8626 8.8954 120.0099 59.6088 41.9871 174.2409 32 K 4.8328 8.8436 127.2824 54.9239 34.1574 174.6974 33 I 4.6869 8.7829 129.2048 59.9399 39.5135 174.9900 34 T 4.7745 8.4514 122.8809 61.6533 72.5735 172.9865 35 N 4.8562 9.1032 125.6262 53.1244 38.3371 175.0241 36 A 4.3399 8.5736 127.8769 53.5639 19.2389 177.6239 37 G 3.8530 8.6019 105.1058 45.3610 0.0000 173.6031 38 G 3.8205 8.4825 106.7086 46.1655 0.0000 173.6073 39 R 4.7486 7.5216 116.7456 53.6673 33.4080 175.4756 40 R 4.4755 8.3586 119.2320 57.1135 31.5480 175.6369 41 I 4.6967 8.5909 112.5812 59.9211 41.6755 173.8082 42 G 4.8314 9.8453 110.7859 44.2979 0.0000 171.9734 43 W 6.3000 9.5039 121.3640 55.1734 32.1147 174.0148 44 A 4.9830 10.1229 122.7834 50.8493 22.4685 175.0044 45 I 5.1187 8.5994 121.2693 59.6319 39.3554 175.4301 46 K 4.6882 9.4295 126.9323 55.0618 35.6548 175.5288 47 T 5.5301 8.3891 116.8355 59.7857 71.5536 173.9104 48 T 4.5146 8.4402 115.5430 63.7022 69.7182 175.0640 49 N 4.9402 7.9611 120.7078 51.8006 39.6338 174.1333 50 M 4.0134 8.2745 121.6488 58.0080 32.8341 178.5774 51 R 4.0070 8.1127 116.6786 59.2594 30.9092 177.7906 52 R 4.0284 8.2887 117.7030 58.7095 30.3520 176.4479 53 L 5.4574 7.1751 115.9174 53.6210 43.5080 176.0408 54 G 4.2718 8.2236 104.7224 45.4774 0.0000 172.5000 55 V 5.1359 8.0947 122.0100 59.6452 35.5029 174.0543 56 D 4.7910 7.9983 120.7612 53.3488 44.1261 174.0394 57 P 4.7807 0.0000 0.0000 62.2038 32.4592 174.4706 58 P 4.7608 0.0000 0.0000 64.0355 32.3776 175.6987 59 S 3.1141 7.0647 111.3209 57.3408 65.1869 175.1229 60 G 3.6366 5.3881 107.2769 45.9382 0.0000 171.7152 61 V 5.2303 8.5638 119.0328 61.0715 34.2217 175.2176 62 L 5.1592 8.9892 126.4052 53.2020 45.6358 176.8426 63 D 5.0713 10.6100 124.2749 53.2058 42.5802 174.0670 64 P 4.4443 0.0000 0.0000 63.9593 32.2440 177.2569 65 S 3.8955 8.9917 115.1178 59.0446 61.6993 171.3378 66 E 4.5264 7.6917 121.8419 55.7850 30.8957 175.1455 67 K 5.2221 8.2866 121.1353 55.5344 35.9948 175.4178 68 V 4.5173 9.0367 119.9374 60.0670 35.4972 174.0777 69 L 5.0702 8.5763 123.9360 53.8003 43.4318 175.0583 70 M 4.7285 8.9925 124.5089 53.4390 34.1897 174.6633 71 A 4.9435 8.6035 122.6265 50.5039 21.1727 176.0459 72 V 4.5860 8.6397 123.4043 62.0488 33.6117 175.0976 73 S 5.5202 9.0127 122.6547 57.1117 66.8899 172.9036 74 C 5.0248 9.0152 121.8652 58.1480 34.4716 173.2940 75 D 5.1291 8.7769 126.6385 53.5306 42.0593 175.6879 76 T 4.3358 8.5700 111.7516 62.4561 69.4572 174.2276 77 F 4.7964 7.4837 114.3029 57.3339 41.6101 173.5498 78 N 4.8239 8.4462 111.2585 51.2198 38.5144 175.7034 79 A 4.1277 7.8656 123.6870 54.2670 19.0545 178.3487 80 A 4.7599 7.8973 117.9356 51.8235 19.1543 178.1358 81 T 4.5604 8.0844 107.9234 60.7608 69.0846 173.4639 82 E 4.6295 7.8699 118.3050 56.2471 33.6280 175.3133 83 D 4.4728 8.5552 122.6646 54.7324 41.8059 175.7755 84 L 4.8752 8.2959 121.7441 54.4919 43.7805 176.7086 85 N 4.8544 9.2484 115.9823 53.4665 39.3142 175.1697 86 N 5.0182 8.1105 115.5264 52.9597 39.5963 173.6557 87 D 5.0050 7.9119 116.9459 53.1172 43.3107 175.6214 88 R 4.6916 8.2583 120.2398 55.3022 34.5985 173.4834 89 I 4.7943 9.4368 124.5298 59.5780 40.5647 173.9650 90 C 5.1652 9.9159 128.7447 57.6752 33.8577 172.2363 91 I 5.0032 8.9696 127.4519 59.7443 39.3923 174.2902 92 E 5.7522 9.6779 127.5889 54.4808 32.5233 175.3161 93 W 6.2654 9.4176 120.0734 56.3202 32.3361 173.2322 94 T 4.6919 9.2180 114.7552 60.7728 71.0742 172.5250 95 N 5.1763 8.8461 121.9311 52.7607 40.1157 174.2552 96 T 4.1356 7.8851 109.9288 58.6109 71.2503 172.6433 97 P 4.1118 0.0000 0.0000 63.9899 31.8627 178.0430 98 D 4.3777 8.1629 122.4400 56.8944 41.3012 177.6009 99 G 4.0234 7.8473 106.9359 43.2235 0.0000 171.1902 100 A 4.7715 7.9714 125.8253 50.5882 21.8927 176.2526 101 A 4.6896 8.3274 122.3905 50.3488 20.5078 178.7462 102 K 4.3050 8.5764 122.0568 56.1264 29.9764 174.8338 103 Q 4.4471 8.0984 116.9811 54.7936 31.8578 173.4429 104 F 4.5927 9.2647 128.4142 58.6536 40.0420 174.5124 105 R 3.5975 5.8400 125.3456 53.6119 31.5835 175.7616 106 R 3.7398 8.0128 124.4846 59.5682 30.6325 177.9111 107 E 4.2621 8.0446 118.1869 58.8794 29.1215 179.2874 108 W 4.6370 7.6877 117.5076 59.9728 29.0864 178.2453 109 F 4.2049 8.4603 116.9359 60.3587 38.9179 177.4980 110 Q 4.3066 8.3826 117.3287 60.4036 28.6276 178.1611 111 G 4.1326 8.0695 106.8645 45.5681 0.0000 171.2384 112 D 4.7544 8.7561 120.5511 52.7407 41.9556 176.5445 113 G 3.9100 7.4373 112.1914 46.3821 0.0000 170.4877 114 M 4.6539 8.2365 119.3996 53.4023 34.5789 175.2248 115 V 4.2556 7.9676 121.1579 61.1351 34.5289 174.4480 116 R 4.2119 8.4285 128.3806 54.7672 31.8948 175.0141 117 R 5.3502 8.0397 122.4202 54.4174 33.9821 174.7481 118 K 4.7756 9.6403 123.2916 55.0315 35.9701 174.3457 119 N 5.4398 8.9709 124.2248 51.5792 40.8411 174.2029 120 L 4.7236 9.0284 124.1594 52.3184 44.2445 174.0104 121 P 4.6325 0.0000 0.0000 62.1725 33.3801 175.0132 122 I 4.5745 7.6866 123.1373 60.2331 38.4222 174.7027 123 E 4.4689 9.0619 128.7960 54.6045 31.5655 174.1048 124 Y 5.0309 8.5891 125.4005 57.3327 39.2699 174.3967 125 N 4.9226 10.1755 124.8669 51.9717 40.8503 174.9227 126 L 4.2651 8.5875 125.3581 54.9721 41.9846 176.5748 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 3 S 8.33 4.43 0.00 3.95 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 4 V 8.22 4.23 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 0.74 0.00 0.00 0.91 0.00 0.00 5 P 0.00 4.17 0.00 2.14 2.04 0.00 3.74 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 6 P 0.00 5.17 0.00 2.09 2.16 0.00 2.97 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 7 G 8.39 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 8 D 8.67 5.40 0.00 2.88 2.99 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 9 I 8.07 4.85 1.36 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 -0.30 -0.08 0.42 0.00 0.00 10 N 8.88 5.12 0.00 2.49 2.64 0.00 0.00 6.88 7.08 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 11 T 8.22 5.60 4.32 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 1.08 0.00 0.00 12 Q 8.27 4.49 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 13 P 0.00 4.84 0.00 2.11 2.07 0.00 3.66 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 2.03 1.88 0.00 14 G 7.94 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 0.00 0.00 0.00 0.00 15 S 8.06 4.79 0.00 3.69 3.84 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 16 K 7.77 4.52 0.00 1.77 1.75 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.68 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.38 7.81 17 I 8.37 4.43 1.82 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.40 1.02 0.00 0.00 18 V 8.30 4.85 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 1.02 0.00 0.00 0.93 0.00 0.00 19 F 9.60 4.78 0.00 2.92 3.32 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 20 N 9.36 5.39 0.00 2.69 2.77 0.00 0.00 7.05 7.17 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 21 A 8.61 3.10 0.62 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 22 P 0.00 3.96 0.00 2.09 1.90 0.00 3.65 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 23 Y 7.38 4.80 0.00 2.47 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 0.00 0.00 0.00 24 D 7.44 4.95 0.00 2.71 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 25 D 7.78 4.62 0.00 2.70 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 26 K 8.87 4.87 0.00 1.89 1.81 0.00 1.69 0.00 0.00 2.33 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.38 7.81 27 H 9.08 4.75 0.00 3.46 3.41 0.00 5.86 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 28 T 7.74 4.95 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 1.26 0.00 0.00 29 Y 9.14 4.58 0.00 2.70 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 30 H 8.74 5.52 0.00 2.93 3.17 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.90 4.86 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.77 0.85 0.00 0.00 32 K 8.84 4.83 0.00 1.75 1.57 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.34 7.81 33 I 8.78 4.69 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 0.79 0.16 0.39 0.00 0.00 34 T 8.45 4.77 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 1.13 0.00 0.00 35 N 9.10 4.86 0.00 2.75 2.86 0.00 0.00 6.74 8.67 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 36 A 8.57 4.34 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 37 G 8.60 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 G 8.48 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 39 R 7.52 4.75 0.00 1.66 1.81 0.00 3.21 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 40 R 8.36 4.48 0.00 1.72 1.80 0.00 3.07 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.75 0.00 41 I 8.59 4.70 2.28 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 1.29 0.81 1.13 0.00 0.00 42 G 9.85 4.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 W 9.50 6.30 0.00 3.58 3.33 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 44 A 10.12 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.60 5.12 2.11 0.00 0.00 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 1.51 1.06 0.96 0.00 0.00 46 K 9.43 4.69 0.00 1.74 1.60 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.35 7.81 47 T 8.39 5.53 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 1.22 0.00 0.00 48 T 8.44 4.51 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 1.22 0.00 0.00 49 N 7.96 4.94 0.00 2.71 2.54 0.00 0.00 7.15 7.64 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 50 M 8.27 4.01 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 51 R 8.11 4.01 0.00 1.94 1.96 0.00 3.17 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 52 R 8.29 4.03 0.00 1.77 1.75 0.00 2.71 0.00 0.00 2.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.32 0.00 53 L 7.18 5.46 0.00 1.55 1.61 0.78 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.22 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 0.00 0.00 0.00 0.00 55 V 8.09 5.14 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 1.01 0.00 0.00 0.97 0.00 0.00 56 D 8.00 4.79 0.00 2.85 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.78 0.00 2.30 2.09 0.00 3.93 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 2.32 2.12 0.00 58 P 0.00 4.76 0.00 2.00 2.11 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 59 S 7.06 3.11 0.00 2.72 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 60 G 5.39 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 0.00 0.00 0.00 61 V 8.56 5.23 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 0.99 0.00 0.00 1.21 0.00 0.00 62 L 8.99 5.16 0.00 1.81 1.57 1.44 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 63 D 10.61 5.07 0.00 2.60 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 64 P 0.00 4.44 0.00 2.22 2.33 0.00 3.83 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 2.06 2.15 0.00 65 S 8.99 3.90 0.00 4.00 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 66 E 7.69 4.53 0.00 2.09 1.93 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 2.33 2.28 0.00 67 K 8.29 5.22 0.00 1.71 1.64 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.41 7.81 68 V 9.04 4.52 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 0.42 0.00 0.00 1.00 0.00 0.00 69 L 8.58 5.07 0.00 1.60 1.60 0.91 0.98 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 70 M 8.99 4.73 0.00 1.96 2.29 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 2.51 2.57 0.00 71 A 8.60 4.94 1.17 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 0.00 0.00 72 V 8.64 4.59 2.24 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 1.24 0.00 0.00 0.98 0.00 0.00 73 S 9.01 5.52 0.00 3.89 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 74 C 9.02 5.02 0.00 3.61 3.29 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 75 D 8.78 5.13 0.00 2.83 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 76 T 8.57 4.34 4.31 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 1.29 0.00 0.00 77 F 7.48 4.80 0.00 3.27 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 78 N 8.45 4.82 0.00 2.61 2.74 0.00 0.00 7.47 8.38 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 79 A 7.87 4.13 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 80 A 7.90 4.76 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 81 T 8.08 4.56 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 1.27 0.00 0.00 82 E 7.87 4.63 0.00 1.83 1.67 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 2.20 2.52 0.00 83 D 8.56 4.47 0.00 2.60 2.52 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 84 L 8.30 4.88 0.00 1.74 1.71 1.01 0.79 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 85 N 9.25 4.85 0.00 2.66 2.87 0.00 0.00 6.72 7.98 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 86 N 8.11 5.02 0.00 2.66 2.77 0.00 0.00 6.88 8.06 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 87 D 7.91 5.00 0.00 2.52 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 0.00 0.00 0.00 88 R 8.26 4.69 0.00 1.80 1.68 0.00 3.03 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 89 I 9.44 4.79 2.00 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 1.12 0.54 0.91 0.00 0.00 90 C 9.92 5.17 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 I 8.97 5.00 2.09 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 1.25 0.66 0.93 0.00 0.00 92 E 9.68 5.75 0.00 2.12 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 0.00 2.38 2.35 0.00 93 W 9.42 6.27 0.00 3.78 3.46 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 94 T 9.22 4.69 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 0.40 0.00 0.00 95 N 8.85 5.18 0.00 2.66 2.64 0.00 0.00 7.23 7.05 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 96 T 7.89 4.14 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 -0.23 0.00 0.00 97 P 0.00 4.11 0.00 2.15 2.08 0.00 2.97 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.19 0.00 98 D 8.16 4.38 0.00 2.67 2.68 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 0.00 0.00 0.00 0.00 99 G 7.85 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 0.00 0.00 0.00 100 A 7.97 4.77 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 0.00 101 A 8.33 4.69 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 0.00 102 K 8.58 4.30 0.00 1.82 1.88 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.50 7.81 103 Q 8.10 4.45 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 104 F 9.26 4.59 0.00 2.99 2.96 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 0.00 0.00 0.00 105 R 5.84 3.60 0.00 0.67 0.67 0.00 2.97 0.00 0.00 2.80 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.94 0.00 106 R 8.01 3.74 0.00 1.91 1.86 0.00 3.31 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 107 E 8.04 4.26 0.00 1.75 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 2.28 2.39 0.00 108 W 7.69 4.64 0.00 3.35 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.46 4.20 0.00 3.22 3.25 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 0.00 110 Q 8.38 4.31 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 111 G 8.07 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 0.00 112 D 8.76 4.75 0.00 2.65 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 0.00 113 G 7.44 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 0.00 114 M 8.24 4.65 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 115 V 7.97 4.26 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 0.84 0.00 0.00 1.02 0.00 0.00 116 R 8.43 4.21 0.00 0.67 0.66 0.00 2.70 0.00 0.00 2.89 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.20 0.00 117 R 8.04 5.35 0.00 1.69 1.84 0.00 3.23 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 118 K 9.64 4.78 0.00 2.08 1.70 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.50 7.81 119 N 8.97 5.44 0.00 2.65 2.72 0.00 0.00 6.87 7.85 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 0.00 120 L 9.03 4.72 0.00 1.50 1.55 0.87 0.76 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 0.00 121 P 0.00 4.63 0.00 2.07 2.13 0.00 3.85 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 122 I 7.69 4.57 1.50 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.03 -0.39 0.00 0.00 123 E 9.06 4.47 0.00 1.95 1.80 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 2.24 2.25 0.00 124 Y 8.59 5.03 0.00 3.01 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 0.00 125 N 10.18 4.92 0.00 2.93 2.90 0.00 0.00 6.71 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 0.00 126 L 8.59 4.27 0.00 1.72 1.58 1.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00