NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4595 8.3344 116.7959 57.8580 64.5027 172.8914 2 N 4.2001 7.8562 123.2552 53.0535 42.0175 173.4531 3 I 4.0507 8.1654 118.8780 62.7018 39.8314 175.6385 4 I 3.9754 7.4424 119.4446 62.0936 36.8907 172.9092 5 K 3.8583 8.2595 119.5158 57.9359 31.4231 177.3395 6 Q 3.9633 7.8051 118.6685 58.8153 29.2901 178.9234 7 L 4.3433 7.1609 118.4668 56.5474 43.0355 178.0058 8 E 4.2205 8.0449 118.1963 58.9283 29.7181 178.3219 9 Q 4.1382 8.9712 116.0165 57.8441 28.7097 176.9953 10 E 4.3282 7.3477 115.4888 57.1525 30.0995 176.5819 11 Q 4.5248 8.3495 118.4417 56.6232 31.3143 176.2703 12 M 3.9644 7.7716 116.9260 54.6538 32.5877 176.2527 13 K 4.2726 8.7515 122.6283 56.5953 33.2000 177.4483 14 Q 4.6353 7.9367 119.9461 52.5113 27.9370 173.8681 15 D 4.4651 7.8406 122.9643 53.6241 41.9054 177.2492 16 V 3.4512 8.1956 114.0919 61.1950 31.4281 174.2165 17 P 4.4485 0.0000 0.0000 62.0984 32.3707 175.0416 18 S 4.3883 8.3219 112.9835 57.2362 64.2729 171.6191 19 F 4.2821 8.7546 127.7131 57.5059 37.3646 177.0139 20 R 4.1139 9.6498 128.0914 56.3959 31.0755 172.2294 21 P 4.6404 0.0000 0.0000 64.5593 32.0173 174.6048 22 G 4.2220 9.0931 110.7922 46.3974 0.0000 174.0209 23 D 4.9412 8.0936 118.9845 54.8587 41.2733 176.7370 24 T 4.3656 8.4812 113.9354 62.9997 67.9159 176.0658 25 V 3.1024 6.7264 117.7193 59.4648 31.9590 173.2350 26 E 4.8383 8.6719 126.1747 54.3906 32.0453 174.5679 27 V 4.1990 9.0048 128.7723 61.7872 32.6605 175.1228 28 K 4.7045 8.4789 127.9215 55.9727 33.7945 176.2270 29 V 4.8560 8.9131 123.6094 60.6118 34.7906 174.6695 30 W 4.9293 8.6795 128.8462 57.1135 29.6052 176.1279 31 V 4.6214 8.9039 123.3652 59.9274 34.7689 174.6219 32 V 3.9511 8.5520 123.9543 62.5239 30.8717 174.6222 33 E 3.9738 8.2031 131.2089 57.6189 30.0803 176.2820 34 G 4.3434 7.8840 109.1637 46.3770 0.0000 173.9661 35 S 4.6569 8.1586 112.3860 57.5444 64.8797 173.0964 36 K 4.8505 7.7319 119.3089 54.8454 35.7046 175.6887 37 K 5.4039 8.5145 115.0572 56.3231 33.0117 174.4978 38 R 4.9013 7.9120 123.6175 55.5103 33.3803 175.2077 39 L 4.7997 8.1612 118.2689 53.6576 43.0635 176.3342 40 Q 4.6892 9.0787 124.4647 54.4795 31.8026 173.6823 41 A 5.1845 8.4639 125.3381 50.1311 21.4468 175.6988 42 F 4.7155 9.3365 124.7207 56.2567 42.6778 173.5482 43 E 4.9954 8.4645 126.5075 55.3664 31.9692 173.8110 44 G 4.1485 8.3471 114.7151 45.7927 0.0000 170.7127 45 V 4.2773 8.4732 120.8667 61.8062 32.9783 176.6893 46 V 4.4063 8.4223 128.8363 63.2786 32.3699 175.8873 47 I 4.5020 8.7214 120.1858 60.0882 39.2692 174.6153 48 A 4.7534 7.3951 121.6139 51.7172 22.2199 175.5073 49 I 4.9599 8.2570 120.4754 60.3499 40.5799 173.5965 50 R 3.4538 8.8329 115.8250 57.8870 30.0015 177.1155 51 N 4.2434 10.3323 107.8977 53.2404 35.3641 174.8336 52 R 4.6998 8.7567 122.1958 57.7260 33.5007 178.0350 53 G 3.8238 7.8938 113.5624 46.0927 0.0000 176.4091 54 L 3.9710 8.8456 128.8011 57.3645 42.0946 176.0579 55 H 4.9827 8.5442 115.2971 55.8552 29.0431 174.9928 56 S 4.5895 8.1339 116.6161 58.6540 64.2653 173.6147 57 A 5.0994 8.8163 124.5912 51.6801 22.6184 175.8324 58 F 5.4201 9.1533 118.2162 56.0185 41.3816 174.5806 59 T 5.0823 8.7477 114.1962 61.7407 72.3166 173.5049 60 V 4.9493 8.8264 125.9556 61.2271 34.3519 174.4503 61 R 4.8520 9.2082 128.7039 55.5115 31.6015 176.3284 62 K 4.0534 8.1160 121.5194 55.6230 35.4305 176.4094 63 I 3.3248 7.5868 117.9870 62.3156 34.2820 173.5725 64 S 4.0356 8.1416 113.7402 58.3791 63.5086 174.5141 65 N 3.8254 7.9175 121.9152 56.0247 36.8193 173.0761 66 G 4.0891 10.0817 115.7694 44.0742 0.0000 173.2451 67 E 4.4671 8.6096 122.6627 54.8393 33.1580 173.7196 68 G 3.8621 8.5136 106.6140 45.9257 0.0000 173.7141 69 V 4.2898 7.9452 118.0579 60.9896 33.8977 172.7054 70 E 5.1044 8.8704 125.3139 55.2450 31.4561 175.4609 71 R 4.2822 8.5921 120.6870 54.9252 34.1312 174.3813 72 V 4.8978 7.4481 116.6523 57.9546 32.4980 175.3496 73 F 4.1162 7.4910 123.5273 57.3196 40.7821 174.4417 74 Q 4.5233 8.5672 120.5560 54.4338 29.2116 176.3152 75 T 4.1198 9.0180 116.4978 65.1045 68.7543 174.9769 76 H 4.7515 8.1405 116.2524 55.4740 28.9371 174.7462 77 S 4.4369 8.4851 116.6661 57.1811 62.6935 173.5234 78 P 4.3908 0.0000 0.0000 65.1930 31.4343 177.6989 79 V 4.0528 7.8860 111.0719 62.7885 31.4471 178.0811 80 V 3.5724 7.6590 120.8691 63.5991 31.6554 175.4819 81 D 4.9830 8.2236 123.1745 54.0451 41.0518 173.6437 82 S 4.7855 7.4963 112.2271 56.5669 66.3443 172.1502 83 I 4.8496 8.1476 125.3371 59.8598 40.8244 173.6174 84 S 4.7979 8.5973 123.1157 56.9720 66.3695 175.1901 85 V 3.6052 8.4909 118.5606 64.0463 31.6067 177.1220 86 K 4.3447 8.2693 125.4643 54.5721 30.3697 175.9144 87 R 4.6280 7.3250 116.8007 54.6393 34.5832 173.6338 88 R 4.6629 8.6202 125.2085 54.6127 31.4909 175.0043 89 G 4.5601 8.8549 113.2209 44.8331 0.0000 171.1927 90 A 4.8810 8.3294 123.1887 50.2508 20.1352 176.6819 91 V 4.3620 8.5715 112.8375 60.6225 36.6838 175.6129 92 R 3.5594 7.9742 111.1044 54.5368 27.4701 173.9271 93 K 4.6727 7.4014 126.6945 56.9454 35.3240 173.9674 94 A 4.0639 8.8831 130.0388 54.5155 18.5886 177.3127 95 K 4.3294 7.7748 115.0010 54.7759 34.0985 177.0281 96 L 4.5715 8.2488 129.0127 54.4600 41.5826 178.3618 97 Y 4.4509 7.5637 117.5882 60.8135 38.4215 177.7073 98 Y 4.5256 7.8703 115.8110 57.5378 38.3017 175.8732 99 L 4.2156 7.2332 120.9875 55.8123 42.2059 178.3200 100 R 4.1091 7.8054 116.9182 57.4843 30.2816 176.6473 101 E 4.8233 7.4890 118.3131 56.3653 30.3274 177.1150 102 R 4.1944 8.0288 117.0147 56.9538 32.8147 175.6880 103 T 3.0211 9.0149 108.0734 63.1188 65.0884 171.6466 104 G 3.7770 8.5434 119.1487 44.5844 0.0000 173.2006 105 K 3.6293 7.9511 113.9313 58.1446 32.4894 176.4018 106 A 4.1675 7.9527 125.7508 54.0271 19.0127 178.0231 107 A 4.5070 7.8327 117.8683 52.2155 19.9945 178.0122 108 R 4.2351 7.6714 115.1312 55.8080 30.7598 176.0361 109 I 4.6471 7.7845 112.5829 58.5232 40.6980 175.1753 110 K 4.2055 8.4791 121.3916 57.1907 33.3221 175.2707 111 E 5.0627 8.5048 119.9939 55.2402 31.4241 176.8164 112 R 4.1241 8.8230 119.9995 55.8403 30.8069 177.0557 113 L 3.6194 7.7512 117.2750 56.3979 39.0518 174.1415 114 N 4.5456 7.5486 120.1511 53.7634 37.4024 175.0835 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 4.46 0.00 3.88 3.96 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 2 N 7.86 4.20 0.00 2.68 2.75 0.00 0.00 7.07 7.06 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 3 I 8.17 4.05 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.91 0.00 0.00 4 I 7.44 3.98 1.88 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 1.31 0.70 0.92 0.00 0.00 5 K 8.26 3.86 0.00 1.97 1.74 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.45 7.81 6 Q 7.81 3.96 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.56 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 7 L 7.16 4.34 0.00 2.14 1.66 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.04 4.22 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 9 Q 8.97 4.14 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.98 0.00 0.00 0.00 0.00 0.00 2.54 2.35 0.00 10 E 7.35 4.33 0.00 2.16 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 0.00 2.38 2.33 0.00 11 Q 8.35 4.52 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.88 0.00 0.00 0.00 0.00 0.00 2.27 2.57 0.00 12 M 7.77 3.96 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.26 0.00 13 K 8.75 4.27 0.00 1.85 1.80 0.00 1.86 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.65 7.81 14 Q 7.94 4.64 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.96 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 15 D 7.84 4.47 0.00 2.76 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 16 V 8.20 3.45 1.87 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 0.67 0.00 0.00 0.87 0.00 0.00 17 P 0.00 4.45 0.00 2.22 2.11 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 18 S 8.32 4.39 0.00 3.79 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 19 F 8.75 4.28 0.00 2.94 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 20 R 9.65 4.11 0.00 1.96 2.36 0.00 3.21 0.00 0.00 3.41 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 21 P 0.00 4.64 0.00 2.22 2.13 0.00 3.82 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 2.01 2.08 0.00 22 G 9.09 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 0.00 0.00 0.00 0.00 23 D 8.09 4.94 0.00 2.88 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 4.37 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 1.28 0.00 0.00 25 V 6.73 3.10 1.68 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 0.59 0.00 0.00 0.62 0.00 0.00 26 E 8.67 4.84 0.00 2.00 1.79 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 2.17 2.20 0.00 27 V 9.00 4.20 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 0.47 0.00 0.00 0.49 0.00 0.00 28 K 8.48 4.70 0.00 1.65 1.48 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.84 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.31 1.30 7.81 29 V 8.91 4.86 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 1.13 0.00 0.00 1.06 0.00 0.00 30 W 8.68 4.93 0.00 3.32 3.14 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 31 V 8.90 4.62 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 0.86 0.00 0.00 0.99 0.00 0.00 32 V 8.55 3.95 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 0.84 0.00 0.00 0.96 0.00 0.00 33 E 8.20 3.97 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 2.35 2.33 0.00 34 G 7.88 4.34 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 0.00 35 S 8.16 4.66 0.00 3.84 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 36 K 7.73 4.85 0.00 1.85 1.75 0.00 1.58 0.00 0.00 1.90 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 37 K 8.51 5.40 0.00 1.88 1.80 0.00 1.19 0.00 0.00 0.87 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.29 7.81 38 R 7.91 4.90 0.00 1.94 2.20 0.00 2.97 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 39 L 8.16 4.80 0.00 1.19 1.28 -0.34 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 9.08 4.69 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 41 A 8.46 5.18 1.19 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 42 F 9.34 4.72 0.00 3.17 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 43 E 8.46 5.00 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 2.14 2.28 0.00 44 G 8.35 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 0.00 0.00 0.00 0.00 45 V 8.47 4.28 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 0.76 0.00 0.00 0.92 0.00 0.00 46 V 8.42 4.41 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 1.00 0.00 0.00 0.85 0.00 0.00 47 I 8.72 4.50 1.94 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 1.21 0.98 0.94 0.00 0.00 48 A 7.40 4.75 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 49 I 8.26 4.96 1.94 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 1.68 0.87 0.98 0.00 0.00 50 R 8.83 3.45 0.00 1.89 1.82 0.00 3.22 0.00 0.00 3.28 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.96 0.00 51 N 10.33 4.24 0.00 2.95 3.04 0.00 0.00 6.58 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 52 R 8.76 4.70 0.00 1.92 1.88 0.00 3.43 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 53 G 7.89 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 54 L 8.85 3.97 0.00 1.48 1.49 0.84 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 55 H 8.54 4.98 0.00 3.30 3.30 0.00 5.71 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.13 4.59 0.00 3.94 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 57 A 8.82 5.10 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 58 F 9.15 5.42 0.00 3.35 3.38 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 59 T 8.75 5.08 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 1.29 0.00 0.00 60 V 8.83 4.95 2.35 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 1.29 0.00 0.00 1.34 0.00 0.00 61 R 9.21 4.85 0.00 2.00 1.78 0.00 3.25 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 62 K 8.12 4.05 0.00 1.73 1.75 0.00 0.71 0.00 0.00 1.31 0.00 0.00 2.65 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.14 1.09 7.81 63 I 7.59 3.32 1.85 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 1.29 0.54 0.93 0.00 0.00 64 S 8.14 4.04 0.00 3.71 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 65 N 7.92 3.83 0.00 2.90 2.97 0.00 0.00 6.37 7.00 0.00 0.00 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 G 10.08 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 E 8.61 4.47 0.00 1.85 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 2.18 2.35 0.00 68 G 8.51 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 69 V 7.95 4.29 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 0.72 0.00 0.00 1.09 0.00 0.00 70 E 8.87 5.10 0.00 1.86 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 2.30 2.32 0.00 71 R 8.59 4.28 0.00 1.17 0.66 0.00 2.47 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 72 V 7.45 4.90 1.95 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 0.82 0.00 0.00 0.77 0.00 0.00 73 F 7.49 4.12 0.00 2.14 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 74 Q 8.57 4.52 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 75 T 9.02 4.12 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 1.64 0.00 0.00 76 H 8.14 4.75 0.00 3.21 3.38 0.00 5.70 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.49 4.44 0.00 3.89 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 78 P 0.00 4.39 0.00 2.11 2.13 0.00 3.78 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 2.05 2.15 0.00 79 V 7.89 4.05 2.22 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 0.72 0.00 0.00 1.04 0.00 0.00 80 V 7.66 3.57 2.38 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 0.77 0.00 0.00 1.00 0.00 0.00 81 D 8.22 4.98 0.00 3.17 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 82 S 7.50 4.79 0.00 3.69 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 83 I 8.15 4.85 1.82 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.73 1.00 0.00 0.00 84 S 8.60 4.80 0.00 3.83 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 85 V 8.49 3.61 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 0.82 0.00 0.00 0.97 0.00 0.00 86 K 8.27 4.34 0.00 1.88 2.09 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.31 7.81 87 R 7.33 4.63 0.00 1.81 1.68 0.00 3.12 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 88 R 8.62 4.66 0.00 1.90 1.79 0.00 3.35 0.00 0.00 3.35 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 89 G 8.85 4.56 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 90 A 8.33 4.88 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 91 V 8.57 4.36 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 0.85 0.00 0.00 0.99 0.00 0.00 92 R 7.97 3.56 0.00 1.98 1.97 0.00 3.15 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 93 K 7.40 4.67 0.00 1.78 1.87 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.36 7.81 94 A 8.88 4.06 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 95 K 7.77 4.33 0.00 1.44 0.74 0.00 1.54 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.88 1.00 7.81 96 L 8.25 4.57 0.00 1.67 1.32 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.56 4.45 0.00 3.11 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 98 Y 7.87 4.53 0.00 3.13 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 99 L 7.23 4.22 0.00 1.65 1.61 0.22 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.81 4.11 0.00 1.96 1.99 0.00 3.26 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.65 0.00 101 E 7.49 4.82 0.00 2.01 1.95 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 2.26 2.28 0.00 102 R 8.03 4.19 0.00 1.75 1.94 0.00 3.46 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 103 T 9.01 3.02 4.41 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 1.22 0.00 0.00 104 G 8.54 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 0.00 0.00 0.00 105 K 7.95 3.63 0.00 1.89 1.71 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.36 7.81 106 A 7.95 4.17 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 0.00 107 A 7.83 4.51 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 0.00 108 R 7.67 4.24 0.00 1.94 1.88 0.00 3.14 0.00 0.00 3.44 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 109 I 7.78 4.65 1.91 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.68 0.93 0.00 0.00 110 K 8.48 4.21 0.00 1.72 1.82 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.44 7.81 111 E 8.50 5.06 0.00 1.81 1.85 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 2.22 2.37 0.00 112 R 8.82 4.12 0.00 1.83 2.11 0.00 3.28 0.00 0.00 3.42 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 113 L 7.75 3.62 0.00 1.82 1.76 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 114 N 7.55 4.55 0.00 2.78 2.85 0.00 0.00 6.20 7.56 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