NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.7755 8.4449 117.8326 56.2713 29.9866 172.8461 1D H 4.6496 8.7536 118.7233 55.4788 29.5156 172.5403 1E H 5.1014 7.5787 115.8956 53.6664 33.5136 172.0460 1F H 4.6740 8.8975 117.0017 55.8823 29.0467 174.3461 1G F 4.8475 8.3986 119.3696 57.8407 39.9352 174.0427 2 N 4.6242 8.5277 117.0640 52.4359 39.0900 174.5733 3 L 4.8133 8.0093 122.7425 52.0312 44.3352 174.6818 4 P 4.5180 0.0000 0.0000 61.7281 31.9123 175.2457 5 P 4.3094 0.0000 0.0000 64.6217 31.7450 176.8171 6 G 3.8233 7.7172 107.9975 45.0086 0.0000 170.8551 7 N 4.4959 8.0489 115.4913 51.6432 40.2995 173.5785 8 Y 4.9727 7.7746 112.9466 57.8934 38.4481 177.5168 9 K 4.1435 9.0326 123.1251 58.6391 32.2435 177.2391 10 K 4.7145 7.6305 115.5312 53.2939 35.6211 173.4457 11 P 4.9121 0.0000 0.0000 63.3376 32.7149 174.2749 12 C 4.8768 9.3615 114.3953 57.6208 33.5955 172.3894 13 L 5.1870 9.0866 118.6173 53.0649 44.6923 176.4083 14 L 4.9891 8.5973 122.0470 53.4927 43.4966 174.4948 15 Y 4.7759 9.2336 126.9652 56.7722 40.4091 173.6024 16 C 4.1961 8.5721 128.3763 57.9325 32.3984 174.3270 17 S 3.9375 8.2091 121.5477 60.6469 62.7773 175.4569 18 N 4.2018 7.9963 119.1810 56.1919 38.6942 175.5055 19 G 3.8242 7.6206 102.1023 44.5340 0.0000 173.4424 20 G 3.2988 7.8081 107.6829 45.6680 0.0000 173.3897 21 H 4.5745 7.2038 116.0796 54.7991 30.8612 174.1018 22 F 5.2224 8.8284 120.1877 55.9415 40.5944 175.2916 23 L 4.5195 8.9816 125.8191 55.2426 43.3124 175.5861 24 R 4.9497 9.3039 126.1291 54.6081 33.6175 173.9632 25 I 4.6234 8.2527 126.6838 59.4191 38.8565 175.7012 26 L 4.1030 8.9082 128.1390 53.3303 42.3459 176.8898 27 P 4.1692 0.0000 0.0000 65.8191 31.2466 177.4939 28 D 4.4538 7.9216 114.6678 54.0139 39.7698 176.9548 29 G 4.0814 8.4143 109.9232 45.2137 0.0000 173.8583 30 T 4.2817 8.3776 117.4413 63.2645 69.1053 173.5984 31 V 4.9023 7.9932 124.1195 61.2405 34.4530 174.5050 32 D 4.6015 8.4436 125.0138 53.0332 42.5950 174.0854 33 G 4.5711 8.6362 104.5427 45.4071 0.0000 172.3244 34 T 4.9762 8.8522 115.2331 60.4098 70.9378 174.8004 35 R 4.2426 8.9002 124.7521 57.1017 31.0316 176.3290 36 D 4.5363 8.2836 118.7464 53.7304 40.1761 176.5328 37 R 3.7072 8.6240 127.6384 57.9867 30.2796 177.0951 38 S 4.4166 8.1307 110.7306 58.7370 63.7665 174.1021 39 D 4.3636 7.6179 121.3577 55.1974 41.2125 175.9847 40 Q 4.3686 8.5019 123.0537 56.7600 29.3655 175.8369 41 H 4.9124 9.3733 116.2114 55.4601 29.1321 175.2689 42 I 4.5879 7.0915 109.8373 59.8659 38.5682 175.3618 43 Q 4.3702 7.8517 122.0069 55.7913 29.6412 174.8333 44 L 5.2782 9.0709 124.5316 52.7759 45.7889 175.4424 45 Q 4.7795 9.0629 122.9776 54.4445 31.4601 174.6121 46 L 5.0636 8.6193 126.4977 54.1324 43.5028 176.1792 47 S 4.5931 8.4755 114.4275 57.0141 66.6882 172.7973 48 A 4.7900 8.5799 123.2248 52.4795 20.4721 175.1273 49 E 4.0663 8.9263 121.7829 56.8693 28.8597 178.5283 50 S 4.5715 5.8100 115.3354 56.7990 65.0553 173.5518 51 V 3.8831 8.2050 121.3870 64.8377 31.5002 176.1453 52 G 3.9220 9.2206 114.5274 45.3514 0.0000 171.7631 53 E 5.1728 8.2020 119.6548 54.5245 32.2369 175.6303 54 V 4.8860 8.9250 116.4686 59.8455 36.5860 173.9402 55 Y 5.2177 8.7737 119.8247 56.4770 41.1280 175.1900 56 I 4.4431 8.6023 122.9669 59.6129 40.1567 174.0974 57 K 4.6506 8.7297 129.2320 54.1669 34.9554 175.0215 58 S 4.7114 8.8491 123.0441 58.3268 62.6727 174.9375 59 T 3.8307 8.5372 118.5225 64.6416 68.8582 176.0940 60 E 4.0158 8.3840 122.6366 58.9286 29.8355 177.2822 61 T 4.2353 7.9516 106.1297 60.9983 69.8793 175.7682 62 G 3.7896 8.1929 109.8400 45.2969 0.0000 173.6497 63 Q 4.4099 7.4876 119.1121 55.8996 30.4236 174.5410 64 Y 4.7685 8.7291 119.2950 56.0067 40.7486 175.2142 65 L 4.5360 9.0193 125.6906 55.3285 43.5471 175.6059 66 A 5.0915 8.6852 125.9865 50.5460 23.1288 174.3293 67 M 5.4006 8.7315 119.9230 53.8852 34.7235 175.7139 68 D 5.2835 9.6380 126.2097 51.6365 41.2885 177.0081 69 T 4.1976 8.5023 108.2071 63.8528 68.7235 174.5065 70 D 4.6359 8.4011 120.9781 54.0218 41.4408 177.0378 71 G 3.2130 8.5411 108.5485 45.2788 0.0000 173.2071 72 L 4.7296 7.9179 119.6778 53.1073 43.1622 176.0121 73 L 5.1925 8.2441 121.9064 54.9969 43.0235 175.3873 74 Y 4.9343 8.7048 118.4772 56.3048 41.9031 173.2545 75 G 4.2748 8.8656 108.4938 45.1500 0.0000 173.2029 76 S 5.1046 9.0168 120.5409 56.6583 64.2780 175.2825 77 Q 4.1240 9.0320 124.9028 58.0858 28.9543 176.3759 78 T 4.7565 7.6342 106.2348 59.1193 71.7580 172.7128 79 P 3.9306 0.0000 0.0000 61.0116 29.9466 174.6741 80 N 4.9237 7.4800 124.2220 51.7094 40.3007 175.9646 81 E 3.8654 8.7265 114.9081 59.7409 29.1465 177.5901 82 E 4.1502 8.9016 117.9410 57.6573 29.7177 177.0334 83 C 5.1265 7.8965 115.6664 58.6651 29.4986 173.6283 84 L 4.2655 7.3631 120.5376 53.6402 42.8743 175.6539 85 F 5.1116 8.9519 121.9446 55.4836 43.3544 174.4047 86 L 4.7725 9.2694 123.0371 54.0130 42.5855 175.4650 87 E 4.5182 8.8370 126.7194 55.1328 30.4144 175.6556 88 R 4.8204 8.5446 125.2869 54.0045 34.7695 174.6104 89 L 4.6936 8.6653 124.2226 55.2930 43.0802 175.8409 90 E 4.7141 9.1291 125.0708 55.2049 33.6643 174.8097 91 E 4.0204 9.7792 123.0775 57.6733 27.3415 174.2433 92 N 4.3017 8.4295 110.6199 54.1119 36.5334 174.1084 93 H 4.8280 8.3570 116.9280 57.5717 37.9045 173.5547 94 Y 4.7150 7.7541 116.1690 57.6199 39.9013 173.5190 95 N 5.5316 9.6867 118.5231 51.9838 41.1945 174.5811 96 T 5.2362 8.8887 112.7159 60.1743 72.8540 172.7637 97 Y 4.9352 8.5689 118.9202 56.6177 41.5084 174.1735 98 I 4.5879 8.5964 126.1142 59.1021 39.5869 175.5040 99 S 3.9200 8.8280 122.0444 58.7676 62.4187 174.1178 100 K 3.9644 8.6996 129.1879 59.3462 32.3034 178.6330 101 K 3.7497 7.9196 118.2941 59.1472 32.2427 176.7502 102 H 4.6187 7.9891 114.9642 55.0512 29.4780 176.4712 103 A 3.9347 7.7619 125.5493 55.2707 18.3090 180.5420 104 E 3.9135 7.9587 114.9398 58.3596 29.7974 177.2785 105 K 4.0395 7.5668 116.1484 55.8122 32.7368 175.8687 106 N 3.9285 7.5785 115.8129 53.9092 36.5991 174.6022 107 W 5.1750 7.6998 117.3391 55.8953 30.9802 177.1597 108 F 5.4490 9.0664 123.7361 55.4131 41.1660 175.7068 109 V 3.9049 8.9016 122.0854 63.0860 32.3432 175.2443 110 G 4.4585 8.6565 113.0397 45.2248 0.0000 171.3900 111 L 5.2836 8.4814 121.3933 52.4254 45.3144 177.0884 112 K 4.1834 9.3084 123.1358 55.5292 32.9003 178.4367 113 K 3.9587 8.4229 119.5282 59.3801 31.9455 177.9634 114 N 4.5684 8.0667 113.8665 52.7134 37.6546 175.9456 115 G 3.5278 8.1205 108.6152 45.2625 0.0000 173.6054 116 S 4.7166 8.4842 116.6936 57.3906 64.5354 174.0259 117 V 4.0053 8.3012 123.2477 63.0839 32.1889 175.0897 118 K 4.4821 8.6976 130.0793 54.4767 32.7927 176.4729 119 R 4.0335 8.6787 124.6789 55.9910 30.2814 177.4856 120 G 3.4479 8.7768 110.9955 48.2333 0.0000 174.1261 121 P 4.4094 0.0000 0.0000 64.2676 31.3568 176.9247 122 R 4.3746 7.8481 117.2935 56.2694 30.5337 176.1813 123 T 5.1167 7.4990 108.2380 59.9791 70.8643 173.4715 124 H 4.7869 7.9189 115.0254 54.8685 30.6187 173.0141 125 Y 4.1314 8.7735 118.4970 60.0620 38.1143 177.0887 126 G 4.0750 9.0712 111.1798 45.5241 0.0000 173.9885 127 Q 4.2523 7.5332 118.3147 55.2118 29.8436 176.8924 128 K 3.9019 8.2252 118.1954 58.2228 32.9799 179.3933 129 A 3.9834 8.0128 121.2625 53.9767 18.3522 178.4908 130 I 4.4259 7.1841 105.9531 60.4970 38.4980 175.2505 131 L 4.4003 7.3174 123.3099 53.8961 42.6762 175.8091 132 F 5.5222 9.4328 122.3110 55.6534 43.6066 174.1953 133 L 5.2491 9.1845 119.9811 52.4960 45.5632 174.1207 134 P 5.1103 0.0000 0.0000 62.6843 31.9343 175.4893 135 L 4.9447 9.0144 125.7861 51.8157 44.2677 174.7643 136 P 4.6345 0.0000 0.0000 63.0631 32.1595 176.6908 137 V 3.7806 8.1758 113.0628 61.8205 31.6294 176.2895 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 1C H 8.44 4.78 0.00 3.10 3.44 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.75 4.65 0.00 3.16 3.20 0.00 5.64 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.58 5.10 0.00 3.16 3.29 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.90 4.67 0.00 3.33 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.40 4.85 0.00 2.93 3.09 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 2 N 8.53 4.62 0.00 2.96 2.78 0.00 0.00 6.85 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 3 L 8.01 4.81 0.00 1.47 1.40 0.60 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.52 0.00 2.05 2.16 0.00 3.63 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 2.03 0.00 5 P 0.00 4.31 0.00 2.15 2.15 0.00 3.75 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 1.96 1.94 0.00 6 G 7.72 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 7 N 8.05 4.50 0.00 2.57 2.62 0.00 0.00 5.78 7.55 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 8 Y 7.77 4.97 0.00 3.04 3.15 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 9 K 9.03 4.14 0.00 1.79 1.90 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.51 7.81 10 K 7.63 4.71 0.00 1.72 1.69 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.40 7.81 11 P 0.00 4.91 0.00 2.06 2.06 0.00 3.79 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 1.98 1.96 0.00 12 C 9.36 4.88 0.00 3.13 3.11 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 13 L 9.09 5.19 0.00 1.74 1.73 0.33 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.60 4.99 0.00 1.57 1.62 0.35 0.85 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 15 Y 9.23 4.78 0.00 3.26 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 16 C 8.57 4.20 0.00 2.52 2.43 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 17 S 8.21 3.94 0.00 3.85 3.98 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 18 N 8.00 4.20 0.00 2.60 2.64 0.00 0.00 6.74 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 19 G 7.62 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 20 G 7.81 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 21 H 7.20 4.57 0.00 2.96 3.15 0.00 5.61 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 22 F 8.83 5.22 0.00 3.11 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 23 L 8.98 4.52 0.00 1.84 1.53 0.96 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.30 4.95 0.00 1.91 2.05 0.00 3.23 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 25 I 8.25 4.62 1.83 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 1.18 0.74 0.88 0.00 0.00 26 L 8.91 4.10 0.00 1.77 1.50 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.17 0.00 1.99 2.10 0.00 3.53 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 28 D 7.92 4.45 0.00 2.78 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 29 G 8.41 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 0.00 0.00 0.00 30 T 8.38 4.28 4.36 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 1.21 0.00 0.00 31 V 7.99 4.90 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 0.84 0.00 0.00 0.94 0.00 0.00 32 D 8.44 4.60 0.00 2.84 2.75 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 33 G 8.64 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 0.00 0.00 0.00 0.00 34 T 8.85 4.98 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 1.35 0.00 0.00 35 R 8.90 4.24 0.00 1.88 2.00 0.00 3.22 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 36 D 8.28 4.54 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 37 R 8.62 3.71 0.00 1.90 1.91 0.00 3.35 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.95 0.00 38 S 8.13 4.42 0.00 4.01 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 39 D 7.62 4.36 0.00 2.82 2.63 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 0.00 40 Q 8.50 4.37 0.00 1.88 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.17 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 41 H 9.37 4.91 0.00 3.31 3.45 0.00 5.77 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 42 I 7.09 4.59 1.90 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.04 1.04 0.00 0.00 43 Q 7.85 4.37 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 44 L 9.07 5.28 0.00 1.48 1.43 0.81 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.06 4.78 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 46 L 8.62 5.06 0.00 1.55 1.07 0.85 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.48 4.59 0.00 3.93 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 0.00 48 A 8.58 4.79 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 49 E 8.93 4.07 0.00 1.74 1.70 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 2.20 2.30 0.00 50 S 5.81 4.57 0.00 4.15 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 51 V 8.21 3.88 2.32 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 0.98 0.00 0.00 1.03 0.00 0.00 52 G 9.22 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 0.00 0.00 0.00 53 E 8.20 5.17 0.00 1.99 1.70 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 2.20 2.28 0.00 54 V 8.92 4.89 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 0.67 0.00 0.00 1.15 0.00 0.00 55 Y 8.77 5.22 0.00 2.98 3.02 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 56 I 8.60 4.44 1.72 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.59 0.66 0.00 0.00 57 K 8.73 4.65 0.00 1.44 1.52 0.00 1.16 0.00 0.00 1.14 0.00 0.00 2.68 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.92 0.32 7.81 58 S 8.85 4.71 0.00 3.82 3.74 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 0.00 0.00 0.00 59 T 8.54 3.83 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 1.16 0.00 0.00 60 E 8.38 4.02 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 2.21 2.36 0.00 61 T 7.95 4.24 4.23 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 1.24 0.00 0.00 62 G 8.19 3.79 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 0.00 0.00 0.00 63 Q 7.49 4.41 0.00 1.92 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.72 0.00 0.00 0.00 0.00 0.00 2.52 2.32 0.00 64 Y 8.73 4.77 0.00 2.93 2.90 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 65 L 9.02 4.54 0.00 1.62 1.49 0.81 0.21 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 66 A 8.69 5.09 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 67 M 8.73 5.40 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.68 0.00 68 D 9.64 5.28 0.00 2.97 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 69 T 8.50 4.20 4.37 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 1.34 0.00 0.00 70 D 8.40 4.64 0.00 2.79 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 71 G 8.54 3.21 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 72 L 7.92 4.73 0.00 2.08 1.61 0.85 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.24 5.19 0.00 1.56 1.61 0.89 0.90 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 74 Y 8.70 4.93 0.00 3.01 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 75 G 8.87 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 76 S 9.02 5.10 0.00 3.68 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 77 Q 9.03 4.12 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.63 4.76 4.18 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 0.00 0.00 1.22 0.00 0.00 79 P 0.00 3.93 0.00 0.58 0.49 0.00 3.50 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.28 0.00 80 N 7.48 4.92 0.00 2.95 2.99 0.00 0.00 5.85 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 81 E 8.73 3.87 0.00 2.04 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 2.27 2.33 0.00 82 E 8.90 4.15 0.00 2.19 2.27 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 2.38 2.47 0.00 83 C 7.90 5.13 0.00 3.10 3.23 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 84 L 7.36 4.27 0.00 1.33 1.29 0.77 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.95 5.11 0.00 3.12 3.09 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 86 L 9.27 4.77 0.00 1.52 1.58 0.87 0.78 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 87 E 8.84 4.52 0.00 2.14 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 2.18 1.90 0.00 88 R 8.54 4.82 0.00 1.76 1.79 0.00 3.15 0.00 0.00 2.87 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 89 L 8.67 4.69 0.00 1.66 1.61 1.02 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.13 4.71 0.00 2.23 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 2.31 2.44 0.00 91 E 9.78 4.02 0.00 2.38 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 2.30 2.41 0.00 92 N 8.43 4.30 0.00 2.83 2.88 0.00 0.00 6.87 8.16 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 93 H 8.36 4.83 0.00 2.84 2.94 0.00 5.94 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 94 Y 7.75 4.72 0.00 3.01 3.02 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 95 N 9.69 5.53 0.00 2.88 2.47 0.00 0.00 6.95 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 96 T 8.89 5.24 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 1.37 0.00 0.00 97 Y 8.57 4.94 0.00 2.75 2.74 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 0.00 0.00 0.00 98 I 8.60 4.59 1.65 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.60 0.63 0.00 0.00 99 S 8.83 3.92 0.00 4.08 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 0.00 100 K 8.70 3.96 0.00 1.68 1.66 0.00 1.67 0.00 0.00 1.46 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.30 7.81 101 K 7.92 3.75 0.00 1.74 1.63 0.00 1.83 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.01 1.31 7.81 102 H 7.99 4.62 0.00 3.19 2.49 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.76 3.93 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 0.00 104 E 7.96 3.91 0.00 1.81 1.82 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 2.04 1.81 0.00 105 K 7.57 4.04 0.00 0.79 0.97 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.50 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.00 0.85 7.81 106 N 7.58 3.93 0.00 2.99 3.02 0.00 0.00 6.90 7.04 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 0.00 107 W 7.70 5.17 0.00 3.25 3.05 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 0.00 108 F 9.07 5.45 0.00 2.87 3.02 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 0.00 109 V 8.90 3.90 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 0.61 0.00 0.00 0.45 0.00 0.00 110 G 8.66 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 0.00 0.00 0.00 0.00 111 L 8.48 5.28 0.00 1.48 1.46 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.31 4.18 0.00 1.95 1.68 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.47 7.81 113 K 8.42 3.96 0.00 1.70 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.44 7.81 114 N 8.07 4.57 0.00 2.78 2.89 0.00 0.00 6.20 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 0.00 115 G 8.12 3.53 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 0.00 116 S 8.48 4.72 0.00 3.99 3.74 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 0.00 0.00 0.00 117 V 8.30 4.01 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 0.73 0.00 0.00 0.97 0.00 0.00 118 K 8.70 4.48 0.00 1.74 1.68 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.32 7.81 119 R 8.68 4.03 0.00 1.80 1.94 0.00 2.94 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 120 G 8.78 3.45 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 0.00 0.00 0.00 0.00 121 P 0.00 4.41 0.00 2.15 2.25 0.00 3.01 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 122 R 7.85 4.37 0.00 1.91 1.97 0.00 3.11 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 123 T 7.50 5.12 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 1.40 0.00 0.00 124 H 7.92 4.79 0.00 3.40 3.52 0.00 5.48 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 0.00 125 Y 8.77 4.13 0.00 3.15 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 0.00 126 G 9.07 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 0.00 127 Q 7.53 4.25 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.68 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 128 K 8.23 3.90 0.00 1.75 1.63 0.00 1.53 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.27 7.81 129 A 8.01 3.98 1.20 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 0.00 0.00 130 I 7.18 4.43 1.60 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 1.25 0.82 0.45 0.00 0.00 131 L 7.32 4.40 0.00 0.96 0.61 0.44 0.92 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 0.00 132 F 9.43 5.52 0.00 3.37 3.12 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 0.00 0.00 0.00 133 L 9.18 5.25 0.00 1.88 1.67 1.03 0.80 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 0.00 134 P 0.00 5.11 0.00 2.19 2.25 0.00 3.86 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 135 L 9.01 4.94 0.00 1.72 1.66 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.63 0.00 2.07 2.07 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 137 V 8.18 3.78 2.04 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 0.67 0.00 0.00 0.92 0.00 0.00