NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1005 8.1627 120.3042 55.4577 33.8019 177.4490 2 E 3.5836 8.0829 119.3805 59.4411 29.6998 176.5588 3 A 4.0989 8.1182 120.3443 55.1792 19.1039 179.2265 4 V 3.6804 7.5477 116.3327 66.0450 31.6375 178.2531 5 K 4.0131 9.3777 118.6784 59.8140 31.9921 179.5017 6 T 3.9000 8.0802 116.0789 66.3483 68.2453 176.5832 7 F 4.1612 8.3419 122.6384 61.4499 39.4607 176.7071 8 N 4.1020 8.7874 116.3646 56.5028 38.4821 177.3218 9 S 4.1177 8.1768 116.3424 61.8173 62.7535 176.7854 10 E 3.9177 7.6460 119.2165 59.1266 29.5764 178.8611 11 L 3.6566 7.4939 120.5312 58.3362 42.1568 178.5542 12 Y 3.9982 8.2676 119.8098 60.3044 38.6755 177.7241 13 S 4.5563 7.8229 115.6310 59.8223 63.0309 176.0168 14 L 4.0795 7.6647 123.3389 58.1765 41.1302 178.7869 15 N 3.8880 7.6558 114.7747 55.0913 38.5048 175.8790 16 D 4.5696 7.8957 119.5213 53.3466 41.3750 175.2098 17 Y 4.8697 7.3593 117.1173 55.7618 41.3092 174.8938 18 K 4.3234 8.7018 124.6512 54.7347 33.1388 174.9807 19 P 4.5634 0.0000 0.0000 61.6808 31.9528 174.3520 20 P 4.4614 0.0000 0.0000 62.5993 31.9840 176.2362 21 I 3.9911 8.2666 122.8443 60.7386 38.0438 176.8324 22 S 4.2827 8.3412 119.9313 57.9534 64.8538 175.3287 23 K 3.7767 8.6392 122.9600 59.8445 31.9427 179.1638 24 A 3.9286 7.9229 120.1370 55.1721 18.2987 179.4798 25 K 3.7797 7.9976 118.0004 59.7281 32.1597 178.6625 26 M 4.0088 8.0220 118.5141 58.9092 32.0997 178.1947 27 T 3.8480 8.1120 116.0265 66.7925 68.7043 176.4430 28 Q 4.0155 7.8941 119.2495 59.0529 28.7674 179.0747 29 I 3.7213 7.7446 120.6466 64.7044 37.1908 178.6251 30 T 3.8982 8.1638 116.6674 66.7004 68.3334 176.8043 31 K 4.0095 8.5775 120.5440 59.4564 32.0522 179.2321 32 A 4.1324 8.1787 120.6765 55.1518 18.1054 179.5901 33 A 3.6534 8.0180 118.3255 55.2724 18.7902 179.6599 34 I 4.0427 7.9316 118.3740 64.5771 36.9890 178.8823 35 K 4.1919 8.2043 118.1285 58.7820 31.9975 177.9547 36 A 4.7724 7.7134 119.9208 52.3735 18.9836 178.9120 37 I 3.7673 7.5770 122.7727 65.4448 37.9760 177.3649 38 K 3.7874 8.0033 119.3677 58.1952 32.2729 176.6283 39 F 5.0426 8.2087 118.9379 56.7680 39.7954 177.2657 40 Y 4.1449 8.0779 121.5144 60.1406 37.6668 177.2667 41 K 3.5200 6.7258 119.7406 59.4755 32.0224 178.8366 42 H 4.1916 8.0142 116.0266 58.5491 28.6766 177.8273 43 V 3.4981 7.8257 120.2055 65.9438 31.2953 178.2035 44 V 3.2566 7.8413 117.9598 65.9082 31.2483 177.5118 45 Q 3.9969 8.0732 119.1869 59.5264 28.7747 178.6992 46 S 4.2777 8.5268 116.2526 61.6595 62.8824 176.8392 47 V 3.8332 8.3324 120.9503 66.2558 31.3711 177.9611 48 E 4.1250 8.7461 118.5026 59.2268 29.3223 179.1593 49 K 3.9737 8.6209 120.1563 59.4800 32.1980 178.4747 50 F 4.0599 8.6780 121.1332 61.5926 39.1198 177.1540 51 I 3.7240 8.0207 118.0248 64.3599 36.9111 177.9532 52 Q 4.0738 8.1076 119.7028 58.7073 29.0364 177.6140 53 K 4.3104 7.6790 117.3825 56.3075 33.0668 176.8775 54 C 4.0235 7.0977 113.8155 57.1338 30.3099 173.6703 55 K 4.0969 8.3183 119.6590 55.9475 32.6602 176.3049 56 P 4.2057 0.0000 0.0000 65.9698 30.9665 178.7647 57 E 3.9111 8.0494 114.4504 58.6759 29.6589 177.5620 58 Y 4.6417 7.6167 116.3586 57.7304 38.3064 177.4468 59 K 3.9047 7.8064 121.2214 59.4930 32.1433 179.1859 60 V 3.1716 7.5015 117.7071 65.5785 31.4842 175.9119 61 P 4.3218 0.0000 0.0000 65.6807 30.9787 178.7093 62 G 3.7217 8.3755 104.4542 47.7686 0.0000 175.5312 63 L 3.9048 7.8449 122.7704 58.0668 41.9869 178.6655 64 Y 4.4439 8.1870 117.1303 60.9590 37.6370 178.6089 65 V 3.6452 8.0458 119.3111 66.0880 31.5297 178.1193 66 I 3.3152 7.5148 119.2669 64.3102 36.9210 177.7175 67 D 4.7846 8.5108 118.8798 57.7116 41.0717 178.3907 68 S 4.1041 8.5530 113.7641 61.4118 62.3743 176.0851 69 I 3.5823 8.0034 122.7280 64.3628 36.8164 178.5732 70 V 3.6373 8.0663 119.2613 66.2237 31.3907 178.3299 71 R 3.9372 8.2257 117.8713 59.1373 29.8791 178.8225 72 Q 3.9715 8.2767 119.4901 59.1734 29.0696 178.2121 73 S 4.4385 8.3600 114.2659 61.6854 62.5455 176.2612 74 R 4.1422 8.2528 120.8145 59.5727 29.5723 178.5633 75 H 4.0885 8.1320 116.8304 59.3982 29.9967 176.8249 76 Q 3.8398 8.3659 120.3987 58.0317 28.9837 176.3083 77 F 4.6258 8.5283 116.2250 56.4517 40.9546 176.4246 78 G 4.0659 8.0546 108.9948 45.2134 0.0000 174.8978 79 Q 3.9851 8.5923 121.1730 58.8031 28.8511 177.7896 80 E 4.1981 8.0561 114.5301 57.4130 29.9527 177.1923 81 K 4.2104 7.4608 116.6820 56.6502 33.0867 176.5401 82 D 4.2964 8.0708 118.3973 54.9367 40.9648 176.4930 83 V 3.5695 7.8871 118.8656 62.9383 32.5121 178.5246 84 F 4.1551 8.8170 119.5935 60.2545 38.8322 177.4491 85 A 3.9121 8.4548 120.3310 54.8914 17.9066 178.0005 86 P 4.2618 0.0000 0.0000 65.5125 31.5432 178.6472 87 R 4.0733 7.7694 117.0716 59.5541 29.8730 178.6212 88 F 4.4516 8.7879 116.5759 60.7268 38.9893 177.5645 89 S 4.4789 8.5399 114.9961 61.2851 62.3221 176.1798 90 N 4.4747 7.8607 118.8908 56.0089 38.6869 177.1803 91 N 5.0715 7.9536 116.1916 53.2123 40.2401 176.9276 92 I 4.0128 7.6701 123.5328 63.9352 37.9960 177.3754 93 I 3.7823 7.7969 120.5870 64.3877 37.0796 177.7850 94 S 4.1583 8.2299 113.4019 61.8858 62.0670 176.1113 95 T 3.8914 8.0738 118.0836 66.9889 68.2056 176.6954 96 F 3.6624 8.6202 119.4734 60.1894 38.6417 177.5898 97 Q 4.1911 8.2617 117.3269 59.4016 28.8785 178.8710 98 N 4.5040 8.1894 117.0639 56.3078 38.7734 177.4629 99 L 3.8217 7.9530 120.6565 57.9150 41.4325 178.6283 100 Y 4.6331 7.7785 113.7873 59.2435 37.8192 176.5526 101 R 4.3048 7.6488 118.8564 56.4192 30.1195 176.3066 102 C 4.5019 7.5814 113.5402 56.9369 30.4649 171.7113 103 P 4.3427 0.0000 0.0000 62.4250 31.6552 177.7178 104 G 3.8684 8.9958 110.7913 49.0378 0.0000 175.0933 105 D 4.5286 7.9842 116.5298 54.5130 39.9628 176.9731 106 D 4.5899 8.0841 119.9829 55.3526 41.2452 178.3526 107 K 4.0707 7.7475 120.4207 59.5138 32.0538 179.0313 108 S 4.1882 8.1542 113.9480 61.5916 62.5590 176.6724 109 K 4.0294 7.8625 121.5184 59.1465 31.6671 179.4622 110 I 3.5868 7.6129 119.7728 64.3009 37.1073 178.3777 111 V 3.6091 7.7312 118.7461 66.2450 31.3244 178.0075 112 T 3.8378 8.0343 115.5063 66.6873 68.2521 176.6100 113 V 3.3373 7.4094 119.9297 65.8904 31.5058 177.9123 114 L 3.7613 7.7080 118.6757 57.9619 41.3724 179.3852 115 N 4.3952 8.5276 116.6836 56.2653 38.3676 177.5124 116 L 4.0587 7.9980 120.4498 57.6007 41.6761 179.5819 117 W 4.5544 8.6376 119.3872 59.8166 29.0495 178.3886 118 Q 4.0413 8.5126 119.5085 59.1709 28.3917 177.9935 119 K 3.9739 8.1541 119.3903 59.3298 32.2870 177.4805 120 N 4.7941 8.3181 113.3997 51.8788 38.9110 174.4994 121 N 4.2740 7.9531 116.0281 54.2339 37.0724 176.3310 122 V 3.5799 8.2248 118.8153 65.2586 31.8416 175.7146 123 F 4.7786 7.7500 115.0328 54.8451 42.5713 174.8452 124 K 4.2468 8.4436 121.4806 56.2529 32.8056 178.4404 125 S 4.1364 8.8666 116.9583 61.6285 62.0732 175.9676 126 E 3.9180 8.3113 120.4887 59.6697 29.2227 178.5387 127 I 3.9895 7.7904 119.5509 64.2021 37.2908 178.4205 128 I 3.7621 7.6033 120.2988 64.0605 37.0011 177.9207 129 Q 3.9460 8.2735 120.6118 58.9581 28.9313 176.8687 130 P 4.2552 0.0000 0.0000 65.3440 31.1801 178.6091 131 L 4.0236 7.2801 118.4014 57.6956 41.4444 179.5344 132 L 4.0488 7.9096 118.9380 57.8656 41.5475 179.0240 133 D 4.3793 8.2874 118.9947 57.8541 40.6622 178.8977 134 M 3.9435 8.2121 118.6731 58.2046 31.9037 178.6136 135 A 3.3191 7.4881 120.5416 55.0324 18.5051 179.5401 136 A 3.8826 7.8844 118.9731 55.1842 18.5247 179.7124 137 A 3.9777 8.1459 119.3428 55.4029 18.2640 179.9137 138 L 3.9952 7.4128 116.1198 57.8882 41.6675 179.2935 139 E 4.0522 7.6341 117.6023 59.6283 29.4061 178.6902 140 H 4.4233 7.7916 115.2077 58.6307 28.9499 175.7300 141 H 4.5235 7.9528 121.2816 56.0369 28.7329 175.0642 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 4.10 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.32 0.00 2 E 8.08 3.58 0.00 2.16 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 2.43 2.55 0.00 3 A 8.12 4.10 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.55 3.68 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 1.09 0.00 0.00 0.71 0.00 0.00 5 K 9.38 4.01 0.00 2.03 1.83 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.55 7.81 6 T 8.08 3.90 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 1.26 0.00 0.00 7 F 8.34 4.16 0.00 3.26 3.35 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 8 N 8.79 4.10 0.00 2.87 2.86 0.00 0.00 7.09 7.48 0.00 0.00 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 8.18 4.12 0.00 4.08 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 10 E 7.65 3.92 0.00 1.94 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 2.50 2.48 0.00 11 L 7.49 3.66 0.00 0.78 1.34 0.35 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.27 4.00 0.00 3.09 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 13 S 7.82 4.56 0.00 4.25 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 0.00 14 L 7.66 4.08 0.00 1.53 1.68 0.47 0.53 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 N 7.66 3.89 0.00 2.28 2.57 0.00 0.00 7.00 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 16 D 7.90 4.57 0.00 2.32 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 0.00 0.00 0.00 0.00 17 Y 7.36 4.87 0.00 3.07 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 18 K 8.70 4.32 0.00 1.76 1.76 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.43 7.81 19 P 0.00 4.56 0.00 1.98 1.93 0.00 3.55 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 1.72 1.91 0.00 20 P 0.00 4.46 0.00 2.21 2.09 0.00 3.77 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 2.00 2.00 0.00 21 I 8.27 3.99 1.96 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.93 0.88 0.00 0.00 22 S 8.34 4.28 0.00 3.97 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 23 K 8.64 3.78 0.00 1.78 1.88 0.00 1.64 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.48 7.81 24 A 7.92 3.93 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 25 K 8.00 3.78 0.00 1.51 1.58 0.00 1.48 0.00 0.00 1.49 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.12 1.36 7.81 26 M 8.02 4.01 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 27 T 8.11 3.85 4.38 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 1.21 0.00 0.00 28 Q 7.89 4.02 0.00 2.30 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 29 I 7.74 3.72 2.01 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.81 0.95 0.00 0.00 30 T 8.16 3.90 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 1.27 0.00 0.00 31 K 8.58 4.01 0.00 1.80 1.91 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.58 7.81 32 A 8.18 4.13 1.61 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 33 A 8.02 3.65 1.07 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 0.00 0.00 34 I 7.93 4.04 1.98 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.24 1.24 0.00 0.00 35 K 8.20 4.19 0.00 1.99 1.97 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.64 7.81 36 A 7.71 4.77 1.50 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 37 I 7.58 3.77 2.15 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.56 0.84 0.00 0.00 38 K 8.00 3.79 0.00 1.46 1.02 0.00 1.47 0.00 0.00 0.75 0.00 0.00 2.67 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.62 1.18 7.81 39 F 8.21 5.04 0.00 3.17 2.91 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 40 Y 8.08 4.14 0.00 2.01 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 41 K 6.73 3.52 0.00 1.40 1.55 0.00 1.35 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.93 0.21 7.81 42 H 8.01 4.19 0.00 3.43 3.37 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.83 3.50 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 0.34 0.00 0.00 0.72 0.00 0.00 44 V 7.84 3.26 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 0.70 0.00 0.00 0.43 0.00 0.00 45 Q 8.07 4.00 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 46 S 8.53 4.28 0.00 4.43 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 0.00 47 V 8.33 3.83 2.71 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 1.27 0.00 0.00 1.44 0.00 0.00 48 E 8.75 4.12 0.00 2.31 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 0.00 2.57 2.75 0.00 49 K 8.62 3.97 0.00 2.06 2.11 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.51 7.81 50 F 8.68 4.06 0.00 3.20 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 51 I 8.02 3.72 2.08 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 1.48 0.97 0.86 0.00 0.00 52 Q 8.11 4.07 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 53 K 7.68 4.31 0.00 1.71 1.79 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.53 7.81 54 C 7.10 4.02 0.00 2.51 1.61 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 55 K 8.32 4.10 0.00 1.99 1.79 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.53 7.81 56 P 0.00 4.21 0.00 2.10 2.22 0.00 3.57 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 57 E 8.05 3.91 0.00 1.82 1.88 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 1.78 1.47 0.00 58 Y 7.62 4.64 0.00 3.07 3.16 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 59 K 7.81 3.90 0.00 1.69 1.71 0.00 1.71 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.58 1.61 7.81 60 V 7.50 3.17 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 0.31 0.00 0.00 0.71 0.00 0.00 61 P 0.00 4.32 0.00 2.41 2.24 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 62 G 8.38 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.84 3.90 0.00 1.45 1.54 0.73 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.19 4.44 0.00 3.15 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 65 V 8.05 3.65 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 1.24 0.00 0.00 0.97 0.00 0.00 66 I 7.51 3.32 2.09 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.61 0.44 0.00 0.00 67 D 8.51 4.78 0.00 3.18 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 68 S 8.55 4.10 0.00 4.07 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 69 I 8.00 3.58 2.01 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 1.29 0.58 0.14 0.00 0.00 70 V 8.07 3.64 2.14 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 0.82 0.00 0.00 1.11 0.00 0.00 71 R 8.23 3.94 0.00 2.01 1.99 0.00 3.26 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.94 0.00 72 Q 8.28 3.97 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 73 S 8.36 4.44 0.00 4.24 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 74 R 8.25 4.14 0.00 2.05 1.97 0.00 3.00 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 75 H 8.13 4.09 0.00 3.18 3.52 0.00 5.94 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.37 3.84 0.00 1.94 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.50 0.00 0.00 0.00 0.00 0.00 1.16 1.94 0.00 77 F 8.53 4.63 0.00 3.13 3.01 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 78 G 8.05 4.07 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 0.00 0.00 0.00 79 Q 8.59 3.99 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 80 E 8.06 4.20 0.00 1.93 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 2.27 2.30 0.00 81 K 7.46 4.21 0.00 1.96 1.83 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.51 7.81 82 D 8.07 4.30 0.00 2.65 2.71 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 0.00 0.00 0.00 0.00 83 V 7.89 3.57 0.67 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 0.16 0.00 0.00 -0.34 0.00 0.00 84 F 8.82 4.16 0.00 3.30 3.31 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 85 A 8.45 3.91 0.72 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 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.26 0.00 1.99 2.10 0.00 3.68 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.05 0.00 87 R 7.77 4.07 0.00 2.13 2.02 0.00 3.15 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 88 F 8.79 4.45 0.00 3.42 3.26 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 89 S 8.54 4.48 0.00 4.24 4.07 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 90 N 7.86 4.47 0.00 2.78 2.94 0.00 0.00 6.90 8.35 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 91 N 7.95 5.07 0.00 2.99 2.87 0.00 0.00 6.69 7.49 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 92 I 7.67 4.01 2.22 0.00 0.00 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 1.53 1.64 0.97 0.00 0.00 93 I 7.80 3.78 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.73 0.98 0.00 0.00 94 S 8.23 4.16 0.00 3.95 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 95 T 8.07 3.89 4.63 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 0.00 0.00 0.00 1.21 0.00 0.00 96 F 8.62 3.66 0.00 3.25 3.10 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 97 Q 8.26 4.19 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 2.51 2.72 0.00 98 N 8.19 4.50 0.00 2.91 2.83 0.00 0.00 7.06 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 99 L 7.95 3.82 0.00 1.13 1.16 -0.40 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.78 4.63 0.00 3.05 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 0.00 101 R 7.65 4.30 0.00 1.89 1.95 0.00 3.18 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 102 C 7.58 4.50 0.00 3.05 2.98 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 0.00 0.00 0.00 103 P 0.00 4.34 0.00 2.28 1.98 0.00 3.70 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 2.04 2.04 0.00 104 G 9.00 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 0.00 0.00 0.00 105 D 7.98 4.53 0.00 2.77 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 0.00 106 D 8.08 4.59 0.00 2.95 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 0.00 107 K 7.75 4.07 0.00 1.94 1.93 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.69 1.53 7.81 108 S 8.15 4.19 0.00 4.05 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 0.00 109 K 7.86 4.03 0.00 1.91 1.88 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.48 7.81 110 I 7.61 3.59 2.09 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.43 0.82 0.00 0.00 111 V 7.73 3.61 2.23 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 1.10 0.00 0.00 1.07 0.00 0.00 112 T 8.03 3.84 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 1.21 0.00 0.00 113 V 7.41 3.34 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 0.06 0.00 0.00 1.04 0.00 0.00 114 L 7.71 3.76 0.00 1.83 1.66 0.90 0.13 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 0.00 115 N 8.53 4.40 0.00 2.90 2.88 0.00 0.00 7.07 6.30 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 0.00 116 L 8.00 4.06 0.00 1.88 1.82 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 117 W 8.64 4.55 0.00 3.59 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 0.00 118 Q 8.51 4.04 0.00 2.34 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 119 K 8.15 3.97 0.00 1.95 2.05 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.53 7.81 120 N 8.32 4.79 0.00 2.94 2.88 0.00 0.00 7.20 8.85 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 0.00 121 N 7.95 4.27 0.00 2.86 2.89 0.00 0.00 6.84 8.05 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 0.00 122 V 8.22 3.58 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 0.27 0.00 0.00 1.03 0.00 0.00 123 F 7.75 4.78 0.00 2.97 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 0.00 124 K 8.44 4.25 0.00 1.88 1.76 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.48 7.81 125 S 8.87 4.14 0.00 3.93 3.90 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 0.00 0.00 0.00 126 E 8.31 3.92 0.00 2.02 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 2.32 2.45 0.00 127 I 7.79 3.99 2.11 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 1.60 1.07 0.92 0.00 0.00 128 I 7.60 3.76 1.94 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.10 1.00 0.00 0.00 129 Q 8.27 3.95 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 130 P 0.00 4.26 0.00 2.19 2.09 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 131 L 7.28 4.02 0.00 1.64 1.23 0.08 0.32 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 0.00 132 L 7.91 4.05 0.00 1.88 1.72 0.99 1.16 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 0.00 133 D 8.29 4.38 0.00 2.86 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 0.00 134 M 8.21 3.94 0.00 2.01 2.42 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.60 0.00 135 A 7.49 3.32 1.33 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 0.00 136 A 7.88 3.88 1.37 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 0.00 0.00 137 A 8.15 3.98 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 0.00 138 L 7.41 4.00 0.00 1.60 1.66 0.61 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 139 E 7.63 4.05 0.00 2.00 1.88 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 2.49 2.43 0.00 140 H 7.79 4.42 0.00 3.13 3.26 0.00 5.85 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 H 7.95 4.52 0.00 3.12 3.20 0.00 5.88 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