NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4483 8.3349 115.4129 57.8055 64.6492 173.7923 2 K 4.0444 8.0987 119.9846 57.4384 32.7708 175.8062 3 T 4.1980 8.5488 118.9068 65.4323 70.5713 175.2661 4 N 4.3837 7.9552 120.5464 53.1313 39.6043 173.6802 5 P 4.3149 0.0000 0.0000 65.4382 31.5161 178.9489 6 R 3.8751 8.6626 117.5095 59.2910 30.0806 178.7272 7 L 4.0126 8.0808 119.5043 58.2348 41.8943 178.8089 8 S 4.0791 8.0184 112.9475 61.5699 62.2571 176.4339 9 S 4.1294 8.2160 117.8375 61.1874 62.5857 176.0969 10 L 3.8732 8.3645 123.5105 58.4331 41.7105 179.1741 11 I 3.6740 7.7715 119.2048 64.4269 37.0348 178.3055 12 A 4.0348 7.7107 121.6074 55.1365 18.1310 179.5390 13 D 4.2246 8.3058 117.7661 57.5701 40.8720 178.7724 14 L 3.8827 8.2482 119.8330 57.8031 41.4149 179.8354 15 K 3.9928 7.9478 118.0967 59.4542 32.1514 179.0620 16 S 4.0275 8.1332 113.1661 61.6582 61.7878 176.4361 17 A 4.1094 8.1317 123.0667 54.9215 18.1571 179.4576 18 A 4.3712 7.6713 119.3107 54.4405 18.4633 179.9745 19 R 4.0860 8.1230 116.5003 60.2984 30.4929 178.5715 20 S 4.1647 7.9036 113.9306 60.5874 62.5985 175.9389 21 S 4.3668 7.8719 116.7734 58.8512 63.7152 175.1305 22 G 3.9989 8.5333 108.2239 45.6956 0.0000 174.3193 23 G 3.5128 7.8179 109.2161 45.3725 0.0000 174.6580 24 A 4.4564 8.0772 123.0656 52.4865 20.9586 179.3624 25 V 3.4558 7.2027 110.6963 64.2277 31.5329 178.5265 26 W 4.9058 7.6370 118.4282 60.0134 28.8857 178.7008 27 G 3.6631 8.1892 105.0644 47.4635 0.0000 175.1776 28 D 4.3612 8.0432 120.5572 57.2377 41.3069 178.4870 29 V 3.7036 8.6707 118.9404 65.5807 31.2876 177.9187 30 A 4.0237 8.0810 120.2136 55.0503 18.5469 179.2159 31 E 4.0445 8.0004 116.8193 59.7214 29.7561 179.4500 32 R 3.9218 7.8180 118.1412 59.6539 29.8009 178.4844 33 L 3.7784 7.8040 117.7863 57.3429 41.6991 178.6775 34 E 4.2056 8.0105 116.9273 57.0417 29.6840 177.2611 35 K 4.3833 7.0868 118.0402 54.3069 33.4853 174.6203 36 P 4.1502 0.0000 0.0000 62.9829 31.9609 177.6194 37 R 3.4645 8.7807 121.3947 59.2587 30.2000 179.1382 38 R 3.8810 7.9495 113.0530 59.1845 29.3412 177.6198 39 T 4.1043 7.7765 107.0309 63.1336 69.2231 174.4391 40 H 4.4366 7.9738 119.6879 55.4291 29.5680 174.3365 41 A 4.2967 8.0944 122.0102 52.0303 19.6313 176.8612 42 E 4.9202 8.7081 120.8136 54.2530 30.7001 174.2944 43 V 4.4268 8.7622 123.4923 61.0680 34.6422 174.2597 44 N 5.7877 8.3657 123.1988 51.1389 41.1213 176.0093 45 L 4.0878 8.7287 120.3633 58.2271 41.4753 179.8961 46 G 3.8258 7.8698 104.4165 47.8120 0.0000 175.3518 47 R 4.0069 7.8679 119.9936 59.3095 30.3250 178.1764 48 I 3.7472 7.8406 119.1364 64.7476 36.8708 177.7029 49 E 3.9298 8.0866 118.6147 59.3255 29.4895 178.5809 50 R 3.8985 7.7068 117.7730 58.2486 30.1474 176.3014 51 Y 4.8125 7.5563 111.9319 57.2519 39.6138 175.0677 52 A 4.5931 7.9247 123.7684 51.3917 19.9956 176.7702 53 Q 4.6208 8.1639 115.5784 54.5687 31.3575 174.1844 54 E 3.8471 8.7439 120.4778 58.3661 29.9875 176.7695 55 D 4.4056 8.8887 119.2948 54.8043 38.3808 173.4325 56 E 4.6826 7.7816 119.5254 54.2785 31.8172 175.4598 57 T 4.1565 8.4468 124.6843 64.0388 69.7757 173.8624 58 V 4.2858 8.9873 128.0815 62.5409 32.9785 174.7321 59 V 4.7059 9.2124 128.9946 61.3517 33.5670 174.4606 60 V 4.7888 9.0892 129.7824 59.0413 32.5191 174.7267 61 P 4.8447 0.0000 0.0000 60.8298 30.4805 175.6380 62 G 4.1082 7.3578 119.4336 47.1484 0.0000 176.6768 63 K 5.0561 9.2088 126.9763 54.2178 35.9755 173.3010 64 V 4.8021 8.1959 126.1978 61.4637 33.6036 174.4754 65 L 5.1057 9.6093 128.0391 52.1657 45.1500 176.9394 66 G 4.0907 8.5386 108.4696 46.9456 0.0000 173.5102 67 S 4.7020 8.4159 116.0451 57.9276 65.3542 176.2073 68 G 3.9431 8.8880 111.4109 44.8632 0.0000 172.0967 69 V 4.3522 7.9409 117.0944 60.6355 33.5755 174.5566 70 L 4.8409 8.4127 127.3573 53.5648 44.1716 175.0941 71 Q 4.4425 10.7000 124.3471 57.3295 30.4178 176.7882 72 K 3.8417 8.2393 115.0807 57.4524 32.7326 176.9143 73 D 5.4945 8.3483 123.0016 52.6104 39.7889 175.0001 74 V 4.4960 7.7092 115.2268 59.4414 35.8559 174.9661 75 T 4.6684 8.3543 119.3782 62.4141 70.0795 173.7214 76 V 4.7947 8.4992 127.3615 61.3206 33.8561 174.3900 77 A 5.9400 9.9685 129.3316 49.4451 21.2904 174.8419 78 A 5.1929 8.3200 122.5755 49.0659 22.9195 176.6194 79 V 3.5612 8.3504 118.5505 65.6485 32.1458 175.6058 80 D 4.4811 6.8225 117.3931 53.7522 44.2198 174.8117 81 F 5.5015 8.9513 120.9765 55.2862 42.7834 175.1474 82 S 4.3573 8.9588 116.9588 58.0627 63.7048 175.5983 83 G 3.6613 8.7894 106.8680 48.2334 0.0000 176.1389 84 T 4.0222 7.9047 117.3514 66.1502 68.4773 176.6293 85 A 3.9948 8.0448 122.7730 55.3455 18.4446 179.3490 86 E 3.5951 8.1980 117.3707 59.2640 29.2718 179.3168 87 T 3.9158 7.1710 113.8878 66.4915 68.9586 176.6305 88 K 4.2359 8.2576 120.6199 59.5909 32.0473 179.4907 89 I 3.7519 8.0202 120.1127 64.4847 36.9954 177.9837 90 D 4.6950 7.3534 118.2969 55.6008 40.7291 178.1299 91 Q 4.2509 7.5433 119.0673 57.4302 29.2643 176.7194 92 V 4.5253 7.5269 109.7776 60.8067 34.2797 174.4364 93 G 4.2063 8.3965 111.3507 44.6578 0.0000 173.6877 94 E 5.1169 9.2685 126.3974 54.6349 33.0629 174.1188 95 A 4.5785 9.4542 130.2653 51.4206 19.5420 176.7069 96 V 4.6118 9.0547 122.0184 60.8647 35.7167 175.0596 97 S 4.7509 8.7296 120.8972 57.9351 64.0839 175.2490 98 L 3.8987 8.1983 122.2976 58.0078 40.8932 179.7853 99 E 3.9562 8.0900 118.1194 59.3680 29.2795 179.3189 100 Q 3.8194 8.0345 117.9114 58.5812 28.8561 178.0359 101 A 4.0051 7.9733 121.8198 55.6177 18.2400 179.6204 102 I 3.0582 7.3957 116.8374 64.1045 37.0541 177.7969 103 E 4.1826 7.2171 118.7185 58.9402 29.9139 177.9556 104 N 4.6204 8.3523 115.0047 55.0511 40.1112 175.4479 105 N 5.1536 8.3572 118.9921 51.5934 39.7904 172.9212 106 P 4.6485 0.0000 0.0000 65.3440 31.9839 177.8944 107 E 4.1851 8.5458 116.7567 56.0940 29.9403 177.0026 108 G 3.2961 7.7490 105.8797 46.3563 0.0000 172.7821 109 S 4.5568 8.0765 114.5396 57.1858 66.9957 174.5185 110 H 4.0045 8.3691 115.9601 56.9818 25.8908 174.7401 111 V 4.9015 7.1985 115.9964 59.8457 34.9851 176.5156 112 R 4.5642 8.9728 124.4034 54.4827 32.4188 174.5581 113 V 4.5216 8.3965 126.6657 62.4878 32.4332 175.0842 114 I 4.8622 8.8498 127.9829 59.4786 41.3220 175.8869 115 R 4.1832 8.4243 121.4632 56.5182 29.4086 174.7496 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 S 8.33 4.45 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 2 K 8.10 4.04 0.00 1.85 1.78 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.55 4.20 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 1.21 0.00 0.00 4 N 7.96 4.38 0.00 2.72 2.70 0.00 0.00 7.21 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 5 P 0.00 4.31 0.00 2.19 2.07 0.00 3.65 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 6 R 8.66 3.88 0.00 1.87 1.96 0.00 3.13 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 7 L 8.08 4.01 0.00 1.75 1.67 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.02 4.08 0.00 4.04 3.97 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 9 S 8.22 4.13 0.00 4.01 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 10 L 8.36 3.87 0.00 1.66 1.81 0.87 1.03 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 11 I 7.77 3.67 2.03 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 1.45 1.18 0.91 0.00 0.00 12 A 7.71 4.03 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 13 D 8.31 4.22 0.00 2.77 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 14 L 8.25 3.88 0.00 1.81 1.94 0.90 0.43 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 15 K 7.95 3.99 0.00 1.99 1.86 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.68 7.81 16 S 8.13 4.03 0.00 3.90 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 17 A 8.13 4.11 1.44 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 0.00 0.00 18 A 7.67 4.37 1.53 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 0.00 0.00 19 R 8.12 4.09 0.00 1.81 2.01 0.00 3.19 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 20 S 7.90 4.16 0.00 3.92 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 21 S 7.87 4.37 0.00 4.24 3.88 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 22 G 8.53 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 0.00 0.00 0.00 23 G 7.82 3.51 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 0.00 24 A 8.08 4.46 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 25 V 7.20 3.46 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 0.55 0.00 0.00 -0.53 0.00 0.00 26 W 7.64 4.91 0.00 3.32 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 27 G 8.19 3.66 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 0.00 0.00 0.00 28 D 8.04 4.36 0.00 3.05 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 29 V 8.67 3.70 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 1.01 0.00 0.00 1.20 0.00 0.00 30 A 8.08 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.00 4.04 0.00 2.15 2.02 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 2.34 2.47 0.00 32 R 7.82 3.92 0.00 1.94 1.92 0.00 3.33 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 33 L 7.80 3.78 0.00 1.80 1.68 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.01 4.21 0.00 2.14 2.02 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 2.35 2.46 0.00 35 K 7.09 4.38 0.00 2.05 1.77 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.60 7.81 36 P 0.00 4.15 0.00 2.15 2.00 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 37 R 8.78 3.46 0.00 1.79 1.90 0.00 3.10 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 38 R 7.95 3.88 0.00 1.90 2.06 0.00 3.02 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 39 T 7.78 4.10 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 1.22 0.00 0.00 40 H 7.97 4.44 0.00 3.27 3.26 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.09 4.30 1.26 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 0.00 0.00 0.00 42 E 8.71 4.92 0.00 1.81 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 2.20 2.28 0.00 43 V 8.76 4.43 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 1.01 0.00 0.00 0.93 0.00 0.00 44 N 8.37 5.79 0.00 2.69 2.95 0.00 0.00 7.61 6.74 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 45 L 8.73 4.09 0.00 1.86 1.74 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.87 3.83 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 47 R 7.87 4.01 0.00 1.96 2.06 0.00 3.22 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.79 0.00 48 I 7.84 3.75 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.46 0.97 0.00 0.00 49 E 8.09 3.93 0.00 1.97 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 2.41 2.31 0.00 50 R 7.71 3.90 0.00 1.65 1.40 0.00 2.21 0.00 0.00 2.90 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.32 0.00 51 Y 7.56 4.81 0.00 2.99 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 52 A 7.92 4.59 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 53 Q 8.16 4.62 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.91 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 54 E 8.74 3.85 0.00 1.99 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 2.55 2.37 0.00 55 D 8.89 4.41 0.00 2.84 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 56 E 7.78 4.68 0.00 1.95 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 2.23 2.28 0.00 57 T 8.45 4.16 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 1.36 0.00 0.00 58 V 8.99 4.29 2.16 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 0.96 0.00 0.00 0.99 0.00 0.00 59 V 9.21 4.71 2.16 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 1.12 0.00 0.00 1.20 0.00 0.00 60 V 9.09 4.79 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 1.08 0.00 0.00 0.95 0.00 0.00 61 P 0.00 4.84 0.00 2.13 2.24 0.00 3.94 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 62 G 7.36 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 0.00 0.00 0.00 63 K 9.21 5.06 0.00 1.68 1.54 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.27 1.34 7.81 64 V 8.20 4.80 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 1.07 0.00 0.00 0.82 0.00 0.00 65 L 9.61 5.11 0.00 1.80 1.49 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.54 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 67 S 8.42 4.70 0.00 4.01 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 68 G 8.89 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 0.00 0.00 0.00 69 V 7.94 4.35 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 0.83 0.00 0.00 0.93 0.00 0.00 70 L 8.41 4.84 0.00 1.59 1.51 1.00 0.73 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 71 Q 10.70 4.44 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.51 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 72 K 8.24 3.84 0.00 1.75 1.79 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.46 1.82 7.81 73 D 8.35 5.49 0.00 2.86 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 74 V 7.71 4.50 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 0.79 0.00 0.00 0.96 0.00 0.00 75 T 8.35 4.67 4.29 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 1.26 0.00 0.00 76 V 8.50 4.79 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 1.23 0.00 0.00 1.02 0.00 0.00 77 A 9.97 5.94 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 78 A 8.32 5.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.35 3.56 2.15 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 0.69 0.00 0.00 0.87 0.00 0.00 80 D 6.82 4.48 0.00 2.77 2.37 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 81 F 8.95 5.50 0.00 2.85 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 82 S 8.96 4.36 0.00 3.95 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 83 G 8.79 3.66 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 0.00 0.00 0.00 84 T 7.90 4.02 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 85 A 8.04 3.99 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 86 E 8.20 3.60 0.00 1.96 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 2.17 2.02 0.00 87 T 7.17 3.92 4.39 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 1.20 0.00 0.00 88 K 8.26 4.24 0.00 1.79 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.72 7.81 89 I 8.02 3.75 1.83 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 1.55 0.68 0.88 0.00 0.00 90 D 7.35 4.69 0.00 2.61 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 91 Q 7.54 4.25 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 92 V 7.53 4.53 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 0.80 0.00 0.00 0.96 0.00 0.00 93 G 8.40 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 94 E 9.27 5.12 0.00 2.02 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 0.00 2.16 2.23 0.00 95 A 9.45 4.58 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 96 V 9.05 4.61 2.16 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 1.08 0.00 0.00 0.93 0.00 0.00 97 S 8.73 4.75 0.00 4.17 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 98 L 8.20 3.90 0.00 1.68 1.59 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.09 3.96 0.00 2.00 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 2.35 2.39 0.00 100 Q 8.03 3.82 0.00 2.29 2.13 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 2.36 2.36 0.00 101 A 7.97 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.40 3.06 1.69 0.00 0.00 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 -0.12 -0.12 0.66 0.00 0.00 103 E 7.22 4.18 0.00 1.93 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 2.29 2.33 0.00 104 N 8.35 4.62 0.00 2.75 2.91 0.00 0.00 6.81 7.54 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 0.00 105 N 8.36 5.15 0.00 2.86 2.85 0.00 0.00 6.76 7.27 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 0.00 106 P 0.00 4.65 0.00 2.32 2.26 0.00 3.89 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 2.07 2.05 0.00 107 E 8.55 4.19 0.00 1.98 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 2.31 2.38 0.00 108 G 7.75 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 0.00 109 S 8.08 4.56 0.00 3.93 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 0.00 110 H 8.37 4.00 0.00 3.31 3.33 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.20 4.90 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 0.48 0.00 0.00 0.93 0.00 0.00 112 R 8.97 4.56 0.00 2.22 1.82 0.00 3.12 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 113 V 8.40 4.52 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 0.88 0.00 0.00 0.91 0.00 0.00 114 I 8.85 4.86 1.92 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 1.34 1.15 1.00 0.00 0.00 115 R 8.42 4.18 0.00 1.86 1.82 0.00 3.06 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00