NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4065 8.1633 120.3497 55.7677 33.9617 177.2634 2 N 4.1773 8.2757 112.1495 54.4316 38.9953 174.6709 3 R 3.8716 8.8701 120.2122 59.1804 30.9139 176.5015 4 G 4.0891 7.5768 106.3106 46.6113 0.0000 175.1977 5 A 4.1173 7.5526 119.7890 53.6934 19.2541 179.1850 6 L 3.8951 8.0229 119.0175 58.3846 41.8198 179.4075 7 I 3.7054 7.6610 118.4292 64.2203 37.3467 177.7045 8 K 4.0260 7.5611 118.6686 59.9523 31.9870 178.9905 9 L 3.9837 8.2704 118.9910 58.0016 41.3186 179.7887 10 V 3.5818 8.1159 117.5612 66.0598 31.5460 177.3991 11 E 4.3068 8.2471 117.8152 57.5475 29.4975 176.6073 12 S 4.5963 7.6668 114.8910 57.3846 62.8167 173.5993 13 R 4.4214 8.3352 121.6212 56.2557 30.9909 177.3762 14 Y 4.0050 8.1762 114.6227 59.2107 37.8971 176.7748 15 V 3.4930 7.4362 114.9193 61.3335 32.0464 175.7418 16 R 4.6883 8.2048 123.4213 54.8042 32.0314 176.0564 17 T 4.6396 8.2245 108.9005 61.0502 70.1609 174.5993 18 D 4.4795 8.1486 122.0189 56.1321 39.9627 177.1697 19 L 4.1627 7.7275 119.0263 53.7102 42.2797 174.7865 20 P 4.7006 0.0000 0.0000 61.4463 32.7232 175.7342 21 E 4.0672 8.5814 119.6179 56.7037 29.8805 176.9266 22 F 4.8593 7.8951 117.4813 55.3943 40.5903 174.4974 23 R 4.1749 8.5267 124.7196 54.3085 30.9647 174.6157 24 P 4.3295 0.0000 0.0000 64.3449 31.9259 175.8670 25 G 3.7503 10.6356 107.0747 45.7495 0.0000 172.9100 26 D 4.6188 7.5272 114.3793 52.0923 42.5291 175.4929 27 T 4.5010 8.1160 116.2964 62.3140 68.2711 173.7006 28 V 4.6114 8.9260 126.8767 59.9697 35.5802 174.0965 29 R 5.0730 9.2983 124.2464 54.9173 31.8474 174.9662 30 V 4.5339 8.8791 127.4886 60.0443 33.8099 175.2548 31 S 4.9034 8.7471 122.6999 57.2304 63.6399 172.3765 32 Y 4.8748 8.8041 127.2459 55.5118 40.9913 174.8674 33 K 4.2690 8.8543 126.9802 56.3758 32.6938 176.5319 34 V 4.5071 8.2442 125.6463 60.7664 34.5431 174.5284 35 K 4.8232 8.6933 129.0838 54.6206 32.4880 175.6977 36 E 4.7107 8.7879 135.0000 55.5180 27.7890 178.2766 37 G 3.7464 8.7768 104.4482 47.5853 0.0000 174.3324 38 N 4.9246 7.8263 114.5497 52.3739 39.0279 174.0592 39 R 4.8231 7.8265 117.2116 55.4087 32.0227 174.7147 40 T 5.2383 7.8940 112.5787 62.0595 70.0515 173.7759 41 R 4.4672 8.0995 127.0153 55.1988 33.4731 175.0388 42 I 5.3720 8.0753 111.4538 58.0982 38.1321 174.3943 43 Q 4.1675 8.5378 131.1867 57.1152 30.4892 174.9897 44 D 5.4068 8.5546 125.2474 53.6155 44.1589 175.1901 45 F 4.3482 8.2508 118.1390 57.8074 42.9343 172.4158 46 E 5.5766 8.1016 127.9215 53.8215 31.5464 174.3472 47 G 4.2938 8.3310 113.5059 44.9711 0.0000 169.7257 48 I 4.5657 8.1569 120.8094 60.6784 38.6050 176.3577 49 V 4.3813 8.2121 126.6393 62.0221 32.2121 176.6869 50 I 4.2648 8.8826 125.4159 62.1613 39.8581 175.2880 51 R 4.1227 7.6464 118.6435 55.8333 32.1754 173.5682 52 I 4.7569 8.4005 127.7279 60.3665 38.7484 176.3954 53 R 4.5946 8.7901 125.1078 54.0268 30.2554 173.1517 54 R 4.5569 8.0831 120.3197 55.1299 31.1537 177.0357 55 N 4.7070 8.8791 121.8917 52.7293 40.3744 176.0997 56 G 3.8298 7.9853 110.7819 45.5747 0.0000 176.8369 57 F 4.4741 9.3215 130.0930 58.4922 39.2858 173.9745 58 N 4.0653 7.9796 115.1055 53.0754 36.5859 174.1921 59 T 4.3449 8.6317 116.2115 62.9448 68.9510 173.0546 60 T 5.5570 8.2021 115.0798 61.3297 72.9039 171.6026 61 F 6.1687 9.1734 114.9013 57.3008 41.6786 173.1593 62 T 5.3963 8.4509 108.3949 58.9919 72.3396 172.7801 63 V 5.0530 7.8479 121.1911 61.4218 35.7846 173.9063 64 R 5.3599 9.1729 125.9052 54.8428 33.4685 173.9854 65 K 4.7350 9.5941 124.5637 55.7858 37.1013 175.3309 66 V 4.3680 8.1735 120.4990 61.2757 31.7015 174.3997 67 S 3.9623 8.5635 122.5251 57.7890 62.7211 173.9089 68 Y 3.7723 9.2002 127.7352 59.3949 34.5910 172.1676 69 G 4.0061 8.1146 104.1055 45.6827 0.0000 171.8115 70 V 4.3902 7.4972 120.4302 60.7472 33.8597 175.3970 71 G 4.1272 8.6950 114.7272 46.3544 0.0000 172.8763 72 V 4.7211 9.5618 121.5380 61.0992 35.4072 173.6648 73 E 5.2941 8.8414 125.5258 54.5208 32.8448 175.1201 74 R 4.0955 8.4494 123.1454 54.2683 33.2552 173.9429 75 I 4.3137 7.5438 126.0476 59.6138 39.0123 174.9291 76 F 5.0041 8.4672 125.4313 54.7671 42.3803 172.8102 77 P 4.7850 0.0000 0.0000 62.2985 31.5757 177.3962 78 L 4.3472 8.8550 127.1990 57.6340 42.4036 176.6914 79 H 5.1549 7.9981 115.1931 55.1685 29.6948 173.8809 80 S 4.5100 8.0366 115.2212 57.0208 62.7926 172.7133 81 P 4.3278 0.0000 0.0000 64.4115 31.1424 176.5030 82 L 4.2136 7.5392 117.2153 54.3302 42.8273 175.5215 83 I 4.2068 7.6791 121.2998 60.6451 37.1334 175.7424 84 Q 4.1661 9.6667 130.9324 57.9418 29.2791 176.1856 85 K 4.3635 7.5755 114.9976 55.9238 35.6200 173.3907 86 I 4.4902 8.3399 123.5079 59.4396 39.4306 174.4851 87 D 4.6106 9.1546 131.6772 53.4921 41.5761 176.6565 88 I 4.1893 8.3835 124.4362 61.0152 39.0695 175.7383 89 V 4.2757 7.2216 121.1024 60.7104 31.5561 171.7697 90 Q 5.2695 7.1221 131.1655 56.3456 31.0549 171.7292 91 R 5.0999 7.5010 124.2303 53.7558 32.5109 175.2728 92 G 4.5594 8.6417 109.8899 42.9542 0.0000 172.8834 93 R 4.0790 8.5612 123.6246 56.4566 28.7991 176.5367 94 A 3.9987 8.5907 128.2202 53.9380 18.9495 178.5827 95 R 4.0151 8.6626 112.6496 55.3642 28.7349 175.7980 96 R 4.2827 7.6890 111.7268 55.8475 32.4798 172.5803 97 A 3.5873 8.7315 126.8214 56.5751 18.4297 177.1978 98 K 3.9688 8.2123 114.5246 54.9836 33.9095 178.0168 99 L 4.9750 7.8697 124.6260 54.5190 40.1588 177.3565 100 Y 4.1456 7.4253 116.8633 60.4579 37.9191 177.5173 101 F 3.9249 8.4647 116.2882 60.0049 37.6097 177.0895 102 I 3.5562 6.6183 112.8867 63.0823 36.9290 178.2353 103 R 3.9392 8.4703 120.8384 58.8741 30.0059 177.5474 104 N 4.7652 7.7045 112.0783 53.5632 39.1154 176.2674 105 L 4.5163 8.5735 120.3270 56.0554 43.1390 178.0713 106 S 3.8356 7.3125 111.3398 58.9971 61.1920 172.9138 107 D 4.5850 7.3924 132.7150 53.4487 42.2480 179.8725 108 R 4.1755 8.1860 112.5710 58.6648 29.7365 178.2815 109 E 4.0128 8.6459 119.4885 59.0265 29.3582 178.9048 110 I 3.7297 8.1071 119.6537 64.8046 36.9650 178.0502 111 R 3.9638 7.9383 116.8199 59.4672 30.0750 178.9721 112 R 4.0865 8.0571 113.8739 58.3025 29.5716 177.9037 113 K 4.2945 7.8959 119.5977 56.9233 33.9586 176.7398 114 L 4.6563 8.0920 119.4006 52.6254 41.1014 174.9714 115 R 3.9731 7.6205 120.2290 56.2004 31.0597 175.6307 116 A 4.8158 8.1991 121.4704 51.4465 19.6585 178.7618 117 D 4.6584 9.1264 123.6602 53.9984 38.8236 176.7068 118 R 3.9320 8.2328 124.0277 58.9890 30.4186 177.2022 119 K 3.7381 8.3141 118.1198 60.6768 31.7666 178.5432 120 R 4.0736 8.4451 119.0960 58.6346 30.3845 179.1264 121 I 3.8357 7.8416 120.2842 64.4885 37.0507 177.6300 122 D 4.4204 8.1832 119.6282 57.6738 40.6532 179.4538 123 K 3.9595 8.0305 118.4826 60.2024 32.0714 178.6080 124 D 4.4170 8.1156 119.3366 56.9204 40.6464 178.6992 125 R 4.0579 8.0628 118.2477 57.6187 30.2801 178.9730 126 A 4.1427 8.3453 120.3741 52.8056 17.6363 178.7833 127 A 4.0071 5.8000 125.6039 53.6891 19.7722 179.0359 128 E 4.2581 8.5661 117.8523 58.7059 29.9698 178.6542 129 R 4.0515 7.8598 118.1249 58.4746 30.2980 178.4030 130 A 4.2537 8.6422 120.3964 53.5363 19.1868 178.2689 131 A 4.4143 7.6118 117.3602 52.5226 18.9162 179.2215 132 K 4.0311 7.8468 117.6660 59.4693 31.9884 178.9408 133 E 4.1093 8.0325 117.3131 59.1532 29.6145 178.6649 134 E 4.1157 8.0915 117.1583 58.5537 29.6118 178.9841 135 V 3.7820 7.1744 116.8226 65.2374 31.8806 176.8698 136 Q 3.8013 7.8483 112.3307 58.8051 28.2355 177.1803 137 K 4.0454 8.8784 124.4595 57.5105 32.0551 176.8193 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 M 8.16 4.41 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 2 N 8.28 4.18 0.00 2.83 2.87 0.00 0.00 6.93 6.78 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 3 R 8.87 3.87 0.00 1.81 1.97 0.00 3.44 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 4 G 7.58 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 5 A 7.55 4.12 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 6 L 8.02 3.90 0.00 1.78 1.69 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.66 3.71 1.89 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 1.65 0.66 0.93 0.00 0.00 8 K 7.56 4.03 0.00 2.08 1.93 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.54 7.81 9 L 8.27 3.98 0.00 1.86 1.75 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.12 3.58 2.25 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 0.80 0.00 0.00 0.94 0.00 0.00 11 E 8.25 4.31 0.00 2.19 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 2.47 0.00 12 S 7.67 4.60 0.00 3.91 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 13 R 8.34 4.42 0.00 1.78 2.03 0.00 2.85 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.12 0.00 14 Y 8.18 4.00 0.00 2.55 3.07 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 0.00 0.00 0.00 0.00 15 V 7.44 3.49 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 0.48 0.00 0.00 0.82 0.00 0.00 16 R 8.20 4.69 0.00 1.87 2.03 0.00 3.32 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 1.59 1.58 0.00 17 T 8.22 4.64 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 1.19 0.00 0.00 18 D 8.15 4.48 0.00 2.81 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 19 L 7.73 4.16 0.00 1.69 1.64 1.12 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.70 0.00 2.22 2.06 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 21 E 8.58 4.07 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 2.30 2.31 0.00 22 F 7.90 4.86 0.00 3.05 2.87 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 23 R 8.53 4.17 0.00 1.84 1.89 0.00 3.21 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 24 P 0.00 4.33 0.00 2.15 2.03 0.00 3.74 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 1.97 1.93 0.00 25 G 10.64 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 0.00 0.00 0.00 26 D 7.53 4.62 0.00 3.00 2.87 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 27 T 8.12 4.50 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 1.27 0.00 0.00 28 V 8.93 4.61 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 0.70 0.00 0.00 0.82 0.00 0.00 29 R 9.30 5.07 0.00 1.86 1.83 0.00 3.33 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 30 V 8.88 4.53 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 0.85 0.00 0.00 0.42 0.00 0.00 31 S 8.75 4.90 0.00 3.88 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 32 Y 8.80 4.87 0.00 2.95 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 33 K 8.85 4.27 0.00 1.24 1.63 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.38 1.32 7.81 34 V 8.24 4.51 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 1.01 0.00 0.00 1.26 0.00 0.00 35 K 8.69 4.82 0.00 1.83 1.77 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.45 7.81 36 E 8.79 4.71 0.00 2.02 1.12 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 2.34 2.32 0.00 37 G 8.78 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 0.00 0.00 0.00 38 N 7.83 4.92 0.00 2.80 2.84 0.00 0.00 5.84 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 39 R 7.83 4.82 0.00 1.99 2.11 0.00 2.93 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 40 T 7.89 5.24 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 1.20 0.00 0.00 41 R 8.10 4.47 0.00 1.80 1.91 0.00 3.09 0.00 0.00 3.58 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 42 I 8.08 5.37 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 1.21 1.37 0.90 0.00 0.00 43 Q 8.54 4.17 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 44 D 8.55 5.41 0.00 2.73 2.61 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 45 F 8.25 4.35 0.00 3.30 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 46 E 8.10 5.58 0.00 1.95 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 2.15 2.11 0.00 47 G 8.33 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 0.00 0.00 0.00 0.00 48 I 8.16 4.57 1.87 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 1.28 0.48 0.94 0.00 0.00 49 V 8.21 4.38 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 1.07 0.00 0.00 1.47 0.00 0.00 50 I 8.88 4.26 1.82 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 1.03 0.53 0.69 0.00 0.00 51 R 7.65 4.12 0.00 1.50 1.61 0.00 3.19 0.00 0.00 3.35 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 52 I 8.40 4.76 1.78 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.64 0.84 0.00 0.00 53 R 8.79 4.59 0.00 1.86 1.92 0.00 3.11 0.00 0.00 3.18 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 54 R 8.08 4.56 0.00 1.71 1.86 0.00 3.36 0.00 0.00 3.78 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.00 55 N 8.88 4.71 0.00 2.61 2.71 0.00 0.00 7.12 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 56 G 7.99 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 57 F 9.32 4.47 0.00 3.01 3.03 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 58 N 7.98 4.07 0.00 2.65 2.28 0.00 0.00 5.94 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 59 T 8.63 4.34 4.46 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 1.27 0.00 0.00 60 T 8.20 5.56 4.45 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 1.28 0.00 0.00 61 F 9.17 6.17 0.00 3.38 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 62 T 8.45 5.40 4.14 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 1.11 0.00 0.00 63 V 7.85 5.05 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 1.28 0.00 0.00 1.08 0.00 0.00 64 R 9.17 5.36 0.00 1.87 1.70 0.00 3.33 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 65 K 9.59 4.74 0.00 1.61 1.74 0.00 0.94 0.00 0.00 0.94 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.87 1.10 7.81 66 V 8.17 4.37 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 0.82 0.00 0.00 0.92 0.00 0.00 67 S 8.56 3.96 0.00 3.61 3.62 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 68 Y 9.20 3.77 0.00 3.18 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 69 G 8.11 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 0.00 0.00 0.00 70 V 7.50 4.39 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 0.95 0.00 0.00 0.97 0.00 0.00 71 G 8.69 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 72 V 9.56 4.72 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 0.94 0.00 0.00 0.97 0.00 0.00 73 E 8.84 5.29 0.00 1.77 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 2.20 2.25 0.00 74 R 8.45 4.10 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.95 0.00 75 I 7.54 4.31 1.59 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.41 0.73 0.00 0.00 76 F 8.47 5.00 0.00 1.51 2.61 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 77 P 0.00 4.79 0.00 2.22 2.05 0.00 3.90 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 78 L 8.86 4.35 0.00 1.91 1.76 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.00 5.15 0.00 3.50 3.40 0.00 5.76 0.00 0.00 0.00 0.00 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.04 4.51 0.00 4.17 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 81 P 0.00 4.33 0.00 2.10 2.14 0.00 3.79 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 82 L 7.54 4.21 0.00 1.08 0.56 0.88 0.74 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 83 I 7.68 4.21 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.55 0.89 0.00 0.00 84 Q 9.67 4.17 0.00 1.94 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.63 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 85 K 7.58 4.36 0.00 1.79 1.81 0.00 1.50 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.35 7.81 86 I 8.34 4.49 1.72 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.60 0.82 0.00 0.00 87 D 9.15 4.61 0.00 2.65 2.57 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 0.00 88 I 8.38 4.19 1.87 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 1.41 0.62 0.90 0.00 0.00 89 V 7.22 4.28 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 0.79 0.00 0.00 0.93 0.00 0.00 90 Q 7.12 5.27 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.92 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 91 R 7.50 5.10 0.00 1.77 1.83 0.00 3.59 0.00 0.00 3.52 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.41 0.00 92 G 8.64 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 93 R 8.56 4.08 0.00 1.88 1.93 0.00 3.33 0.00 0.00 3.24 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 94 A 8.59 4.00 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 95 R 8.66 4.02 0.00 1.97 2.18 0.00 3.36 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 96 R 7.69 4.28 0.00 1.80 1.86 0.00 3.50 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 97 A 8.73 3.59 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 0.00 0.00 0.00 0.00 0.00 98 K 8.21 3.97 0.00 1.81 1.60 0.00 1.57 0.00 0.00 1.80 0.00 0.00 3.22 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.61 1.38 7.81 99 L 7.87 4.97 0.00 1.62 1.89 0.82 0.77 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 0.00 100 Y 7.43 4.15 0.00 3.06 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 0.00 101 F 8.46 3.92 0.00 3.22 3.43 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 0.00 102 I 6.62 3.56 1.59 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 1.27 0.32 -0.01 0.00 0.00 103 R 8.47 3.94 0.00 1.87 2.06 0.00 3.19 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.88 0.00 104 N 7.70 4.77 0.00 2.78 2.88 0.00 0.00 7.01 7.73 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 0.00 105 L 8.57 4.52 0.00 1.72 1.78 1.08 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 106 S 7.31 3.84 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 0.00 107 D 7.39 4.59 0.00 2.79 2.31 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 0.00 108 R 8.19 4.18 0.00 2.07 2.23 0.00 2.98 0.00 0.00 3.35 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 109 E 8.65 4.01 0.00 2.28 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 0.00 2.36 2.38 0.00 110 I 8.11 3.73 2.00 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 1.68 0.93 0.90 0.00 0.00 111 R 7.94 3.96 0.00 1.96 2.02 0.00 3.22 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 112 R 8.06 4.09 0.00 1.97 2.08 0.00 3.13 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 113 K 7.90 4.29 0.00 2.13 2.09 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.64 1.58 7.81 114 L 8.09 4.66 0.00 1.73 1.62 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.62 3.97 0.00 1.85 1.93 0.00 3.29 0.00 0.00 3.52 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 116 A 8.20 4.82 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 0.00 117 D 9.13 4.66 0.00 2.80 2.61 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 0.00 118 R 8.23 3.93 0.00 1.90 1.98 0.00 3.22 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 119 K 8.31 3.74 0.00 1.82 2.00 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.57 7.81 120 R 8.45 4.07 0.00 1.86 1.99 0.00 3.23 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 121 I 7.84 3.84 2.02 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 1.63 0.87 0.92 0.00 0.00 122 D 8.18 4.42 0.00 2.90 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 0.00 123 K 8.03 3.96 0.00 2.01 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.61 7.81 124 D 8.12 4.42 0.00 2.82 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 0.00 125 R 8.06 4.06 0.00 1.82 2.01 0.00 3.29 0.00 0.00 3.35 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.67 0.00 126 A 8.35 4.14 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 0.00 127 A 5.80 4.01 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 0.00 128 E 8.57 4.26 0.00 2.18 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 2.28 2.34 0.00 129 R 7.86 4.05 0.00 1.86 1.99 0.00 3.15 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 130 A 8.64 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 0.00 0.00 0.00 0.00 0.00 0.00 131 A 7.61 4.41 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.85 4.03 0.00 2.01 1.87 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.75 7.81 133 E 8.03 4.11 0.00 1.94 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 2.39 0.00 134 E 8.09 4.12 0.00 1.93 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 2.48 2.30 0.00 135 V 7.17 3.78 2.26 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 0.83 0.00 0.00 0.97 0.00 0.00 136 Q 7.85 3.80 0.00 2.25 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.67 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 137 K 8.88 4.05 0.00 1.72 1.75 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.52 7.81