NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 N 4.7329 8.2833 118.2182 52.2424 39.5503 175.8021 15 Q 3.4575 8.2568 121.3283 58.4264 29.7063 176.5389 16 A 4.0609 9.2944 120.0973 55.8091 18.4933 178.8869 17 Q 3.9331 8.2259 113.2986 59.0887 29.3927 180.0554 18 I 3.7944 7.5779 119.4827 65.6985 37.2594 177.6407 19 T 3.8165 8.3345 116.3301 65.4266 68.1093 176.2130 20 A 4.0848 8.0425 122.6622 55.9353 18.5632 179.9530 21 T 3.8622 8.2932 114.2799 66.8825 68.6268 176.7800 22 F 4.3606 8.1739 122.3470 61.6102 39.3019 176.9428 23 T 3.6755 8.5252 115.6553 66.7560 68.2228 176.5041 24 K 3.9086 7.7415 119.4490 59.2962 32.0773 179.2480 25 K 3.8677 8.2856 119.2095 59.7289 32.1240 179.1080 26 I 3.4382 7.5995 119.8339 64.5153 36.8372 178.4954 27 L 3.8903 7.5648 117.8727 57.5600 41.7844 179.1331 28 A 4.0770 8.4538 121.4327 55.4735 18.3181 179.3472 29 H 3.6469 7.7967 114.4512 58.9397 28.4124 178.0586 30 L 3.7096 7.0806 118.3903 57.4155 41.3776 178.6493 31 D 4.9827 7.5465 118.3828 53.8383 41.2366 176.0434 32 D 4.5351 7.5118 119.4598 53.1124 41.0497 174.2857 33 P 4.3186 0.0000 0.0000 64.9043 31.9505 175.5846 34 D 4.3091 8.3213 118.5434 54.5188 40.8025 177.1731 35 S 5.0984 8.7022 117.4136 58.7955 62.9118 174.6288 36 N 4.8345 8.3833 118.2670 52.6011 38.5651 173.4424 *38 L 4.4689 7.6734 124.9527 55.1438 43.7498 178.3921 39 A 4.0533 7.9866 119.9131 55.1687 18.2655 179.3185 40 Q 4.2083 8.1216 115.2046 58.6234 28.7812 178.2826 41 F 4.3947 7.6565 120.3314 61.5094 39.6694 177.2296 42 V 3.3286 7.7412 117.0293 65.3543 31.1619 177.0433 43 Q 4.2635 7.8594 118.5327 57.7840 29.0015 176.9997 44 L 4.0507 8.4569 119.4947 56.5609 42.2539 176.2517 45 F 5.2091 8.1979 116.8812 54.6385 40.6051 175.5851 46 N 4.7966 8.4393 122.3224 51.4622 38.8768 172.6609 47 P 4.4875 0.0000 0.0000 62.2632 31.3351 177.3876 48 N 4.1141 7.9091 112.3006 53.3412 40.4621 172.2813 *50 C 5.0429 8.2421 123.2343 60.4599 30.3853 173.4827 51 R 4.4998 7.9540 117.8505 56.3121 33.9035 174.7424 52 I 5.2931 8.4106 124.9155 59.6860 41.7339 174.6699 53 I 5.2943 9.3231 127.1637 59.5229 41.3014 174.4329 54 F 5.2460 9.1769 128.0623 56.7994 42.0549 174.0804 55 N 4.1890 10.1523 123.4240 54.2571 36.3201 175.4068 56 A 3.9444 8.1043 118.4916 51.9964 17.7640 178.9206 57 T 4.5172 8.0444 114.0363 61.0793 69.5884 173.0094 58 P 5.1220 0.0000 0.0000 62.6229 31.9773 176.1578 59 F 4.6305 8.9085 118.3945 56.5771 42.9890 175.6965 60 A 3.9127 8.8204 128.7974 53.6552 19.2377 177.6912 61 Q 4.6237 7.8845 114.8927 53.7980 31.8569 176.5201 62 A 3.6040 8.4251 126.5076 55.4227 18.2612 179.1906 63 T 3.5894 7.7071 114.1863 66.4437 68.4716 176.1982 64 V 3.5713 7.7380 119.1825 66.6318 31.5848 177.5167 65 F 3.3603 8.0757 119.7453 61.3769 38.9597 176.8392 66 L 3.2549 8.0685 118.4517 57.4831 41.3028 179.5398 67 Q 3.8201 8.2472 119.6790 59.4223 28.9713 177.8313 68 M 3.9413 8.2040 119.5281 58.8084 32.1902 177.5662 69 W 3.7910 7.9883 128.6192 60.3789 30.7850 177.5347 70 Q 3.9997 8.7116 119.7627 59.1381 28.2992 178.0479 71 N 4.4391 8.2815 117.2531 54.8947 39.1911 175.2575 72 Q 4.3280 8.2374 117.9328 57.0526 31.0165 176.3914 73 V 3.4352 7.0619 115.7643 62.7225 31.8311 175.3681 74 V 4.1996 7.5305 122.7750 59.8980 33.8769 175.0551 75 Q 4.4113 8.4975 118.6454 56.5281 29.3245 175.9098 76 T 5.0675 8.6610 112.3799 58.9843 73.2490 172.9474 77 Q 4.2426 7.6580 122.4256 55.2078 31.2884 172.7332 78 H 5.2553 8.7126 123.1789 54.3495 31.1482 175.1995 79 A 4.4803 8.2092 122.6134 49.8523 21.8989 175.3543 80 L 4.3267 8.6507 124.8253 56.3578 42.7959 177.7083 81 T 4.5976 8.2536 113.8045 60.0409 70.4386 172.9447 82 G 4.4075 7.4984 120.0023 46.0561 0.0000 172.4546 83 V 4.4121 7.8453 125.3763 62.2409 33.4024 173.1986 84 D 5.1793 8.5271 128.2779 52.8366 44.0221 174.9638 85 Y 5.6736 7.4330 114.7091 57.8537 40.1374 172.9503 86 H 5.0630 8.5646 116.7134 54.1458 33.4464 172.0440 87 A 4.9743 8.7984 124.1857 50.5936 20.1994 176.4353 88 I 4.1099 8.4215 124.7855 59.7998 38.5509 173.7413 89 P 4.2027 0.0000 0.0000 65.7400 31.3304 174.2932 90 G 4.2613 9.1496 112.2899 45.8350 0.0000 173.9860 91 S 4.1239 7.9017 113.1418 60.3934 62.8751 175.7017 92 G 4.0762 9.6079 107.2430 44.7119 0.0000 172.2306 93 T 5.0527 8.0041 109.7502 60.4947 72.8129 171.6805 94 L 5.2941 9.3328 121.0332 54.3273 44.7590 175.0352 95 I 5.1204 9.0038 119.1200 59.5248 41.3914 173.4986 96 C 5.2256 9.2900 126.9245 58.2019 31.1563 172.5715 97 N 5.1451 9.2133 122.7438 52.0220 39.4040 173.4019 98 V 4.7192 9.1614 126.4910 61.4809 34.3721 174.0761 99 N 5.4611 8.7432 121.4777 52.0104 42.9755 173.5036 100 C 5.6553 8.9293 119.4412 57.7819 33.4582 172.6535 101 K 5.5087 8.1670 117.2770 54.1385 36.1306 175.7358 102 V 5.0988 8.2236 119.5578 61.6676 35.3470 173.3832 103 R 5.5180 8.0957 122.8849 53.7411 33.5758 176.1695 104 F 5.5597 9.0950 116.8815 57.6168 42.0473 176.2001 105 D 4.4618 8.3270 118.0375 52.7994 42.3225 175.5181 *141 W 5.1518 7.7243 117.8583 56.9048 31.0460 176.4999 142 G 4.2877 8.7147 112.5062 43.9802 0.0000 170.4715 143 P 4.4641 0.0000 0.0000 63.3174 32.7950 174.4899 144 Y 5.6088 8.4015 117.5262 57.0284 39.7004 175.7332 145 F 4.9221 9.7768 121.7881 55.6547 43.1802 174.3794 146 G 3.0069 8.3272 109.5084 44.4866 0.0000 172.7726 147 I 4.8641 8.6454 125.8199 59.2946 40.7504 174.3222 148 S 4.9857 8.8836 121.5369 56.3753 64.9910 172.5964 149 L 4.9482 8.8869 128.5833 53.7519 45.2749 174.6344 150 Q 5.6383 8.7813 125.2439 53.7391 31.7136 174.7601 151 L 5.6306 8.0613 120.4967 52.5355 46.7841 174.9453 152 I 4.8919 8.2917 123.2422 59.7742 39.4982 174.6794 153 I 5.7526 8.7321 127.2419 58.2865 41.4707 174.6550 154 D 4.6694 8.3041 124.0056 54.0621 41.8654 177.0567 155 D 4.3047 8.8732 123.0316 58.7025 41.3087 180.3639 156 R 3.7863 7.6504 117.5296 58.8125 30.0941 178.3248 157 I 4.2625 7.2125 114.4903 63.6444 37.0155 178.2785 158 F 4.5125 8.7741 119.3064 59.3147 38.8565 176.1788 159 R 4.6059 7.8680 117.3697 56.2273 31.3254 175.3022 160 N 4.2294 8.1074 112.3912 53.8793 38.5785 172.5184 161 D 4.7310 8.3108 117.1760 53.4269 41.4074 176.5578 162 F 4.4901 8.7465 124.1908 57.1925 40.2029 175.4964 163 N 4.5145 8.4427 118.9255 53.6361 37.9446 174.7963 164 G 3.9767 9.1748 114.7004 46.4458 0.0000 172.2173 165 V 4.5187 7.1422 111.0793 60.4000 34.8337 175.5636 166 I 4.5987 8.1229 123.8676 60.1513 37.3589 176.1866 167 S 4.7039 9.1462 121.3761 57.5945 65.6592 173.8418 168 G 4.3014 8.0153 108.3416 44.5499 0.0000 172.0053 169 F 4.9502 9.1232 126.9236 56.4604 41.1305 170.8170 170 N 5.1736 9.1672 122.0733 51.6868 40.3908 171.9076 171 Y 4.8024 8.7709 128.5961 55.8162 41.0602 174.1423 172 N 5.3906 8.6262 123.8918 51.6990 43.5121 173.4893 173 M 4.4708 8.8620 124.2354 55.7867 32.1524 176.1523 174 V 4.2807 8.6779 120.5883 63.1376 33.1327 175.7001 175 Y 5.1411 7.2973 116.5414 55.7054 41.5137 173.9661 176 K 4.5987 8.5024 118.2845 53.9616 36.0112 173.5300 177 P 3.7485 0.0000 0.0000 64.0467 30.8750 176.3869 178 E 4.0919 8.5472 121.9859 56.6976 29.3745 175.6381 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 14 N 8.28 4.73 0.00 2.90 2.92 0.00 0.00 6.11 6.41 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 15 Q 8.26 3.46 0.00 1.85 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 1.16 1.97 0.00 16 A 9.29 4.06 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.23 3.93 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.66 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 18 I 7.58 3.79 2.48 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.51 1.11 0.00 0.00 19 T 8.33 3.82 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 0.95 0.00 0.00 20 A 8.04 4.08 1.43 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 0.00 0.00 21 T 8.29 3.86 4.55 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 1.33 0.00 0.00 22 F 8.17 4.36 0.00 3.03 3.08 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 23 T 8.53 3.68 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 1.16 0.00 0.00 24 K 7.74 3.91 0.00 2.04 1.84 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.76 7.81 25 K 8.29 3.87 0.00 1.91 1.93 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.84 1.75 7.81 26 I 7.60 3.44 1.85 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.09 1.01 0.00 0.00 27 L 7.56 3.89 0.00 1.75 1.69 0.89 0.78 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 28 A 8.45 4.08 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 29 H 7.80 3.65 0.00 1.97 1.52 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.08 3.71 0.00 1.64 1.46 0.81 0.08 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 31 D 7.55 4.98 0.00 2.87 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 32 D 7.51 4.54 0.00 2.56 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 33 P 0.00 4.32 0.00 2.11 2.12 0.00 3.79 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 2.07 2.23 0.00 34 D 8.32 4.31 0.00 2.77 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 35 S 8.70 5.10 0.00 4.02 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 36 N 8.38 4.83 0.00 2.62 3.19 0.00 0.00 6.97 7.68 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 *38 L 7.67 4.47 0.00 1.84 1.78 1.01 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.99 4.05 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 40 Q 8.12 4.21 0.00 2.35 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 41 F 7.66 4.39 0.00 3.11 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 42 V 7.74 3.33 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.87 0.00 0.00 43 Q 7.86 4.26 0.00 2.17 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.60 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 44 L 8.46 4.05 0.00 1.80 1.62 1.10 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.20 5.21 0.00 2.96 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 46 N 8.44 4.80 0.00 2.84 3.02 0.00 0.00 6.18 7.75 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 47 P 0.00 4.49 0.00 2.07 2.11 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 48 N 7.91 4.11 0.00 2.75 2.67 0.00 0.00 7.03 7.65 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 *50 C 8.24 5.04 0.00 3.16 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 51 R 7.95 4.50 0.00 1.85 1.86 0.00 3.09 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 52 I 8.41 5.29 2.09 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 1.31 1.12 0.55 0.00 0.00 53 I 9.32 5.29 2.14 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 1.20 0.81 1.03 0.00 0.00 54 F 9.18 5.25 0.00 3.06 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 55 N 10.15 4.19 0.00 2.20 2.68 0.00 0.00 7.32 6.89 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 56 A 8.10 3.94 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.04 4.52 4.80 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 1.06 0.00 0.00 58 P 0.00 5.12 0.00 2.00 2.00 0.00 3.61 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 59 F 8.91 4.63 0.00 3.03 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 60 A 8.82 3.91 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 61 Q 7.88 4.62 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 62 A 8.43 3.60 0.27 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 63 T 7.71 3.59 4.19 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 1.15 0.00 0.00 64 V 7.74 3.57 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 1.30 0.00 0.00 0.98 0.00 0.00 65 F 8.08 3.36 0.00 2.38 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 66 L 8.07 3.25 0.00 1.47 1.41 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.25 3.82 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 68 M 8.20 3.94 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.82 0.00 69 W 7.99 3.79 0.00 2.46 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 70 Q 8.71 4.00 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.52 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 71 N 8.28 4.44 0.00 2.77 2.81 0.00 0.00 7.02 6.99 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 72 Q 8.24 4.33 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 73 V 7.06 3.44 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 -0.15 0.00 0.00 0.02 0.00 0.00 74 V 7.53 4.20 2.13 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 1.26 0.00 0.00 1.02 0.00 0.00 75 Q 8.50 4.41 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.78 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 76 T 8.66 5.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 77 Q 7.66 4.24 0.00 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 78 H 8.71 5.26 0.00 3.16 3.18 0.00 5.85 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.21 4.48 1.03 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 0.00 0.00 80 L 8.65 4.33 0.00 1.62 1.58 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.25 4.60 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 1.17 0.00 0.00 82 G 7.50 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 0.00 0.00 0.00 0.00 83 V 7.85 4.41 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 0.85 0.00 0.00 0.94 0.00 0.00 84 D 8.53 5.18 0.00 2.63 2.50 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 85 Y 7.43 5.67 0.00 3.03 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 86 H 8.56 5.06 0.00 3.09 3.16 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.80 4.97 1.43 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 0.00 0.00 88 I 8.42 4.11 1.90 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 1.27 1.21 0.93 0.00 0.00 89 P 0.00 4.20 0.00 2.04 2.06 0.00 3.66 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 90 G 9.15 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 0.00 0.00 0.00 0.00 91 S 7.90 4.12 0.00 4.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 G 9.61 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 93 T 8.00 5.05 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 1.18 0.00 0.00 94 L 9.33 5.29 0.00 2.01 1.83 0.72 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 95 I 9.00 5.12 1.90 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 1.23 1.83 1.01 0.00 0.00 96 C 9.29 5.23 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 N 9.21 5.15 0.00 2.74 2.67 0.00 0.00 6.62 7.59 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 98 V 9.16 4.72 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 0.91 0.00 0.00 0.90 0.00 0.00 99 N 8.74 5.46 0.00 2.62 2.61 0.00 0.00 7.00 7.83 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 0.00 100 C 8.93 5.66 0.00 2.76 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 0.00 101 K 8.17 5.51 0.00 1.01 1.11 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.63 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.09 7.81 102 V 8.22 5.10 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 0.42 0.00 0.00 0.97 0.00 0.00 103 R 8.10 5.52 0.00 1.27 1.88 0.00 3.18 0.00 0.00 2.76 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 104 F 9.09 5.56 0.00 3.01 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 0.00 105 D 8.33 4.46 0.00 2.73 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *141 W 7.72 5.15 0.00 3.33 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 0.00 142 G 8.71 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 0.00 143 P 0.00 4.46 0.00 2.01 1.99 0.00 3.80 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 144 Y 8.40 5.61 0.00 2.92 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 0.00 145 F 9.78 4.92 0.00 3.08 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 0.00 146 G 8.33 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 0.00 0.00 0.00 147 I 8.65 4.86 1.71 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 1.02 0.16 0.31 0.00 0.00 148 S 8.88 4.99 0.00 3.75 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.89 4.95 0.00 1.42 1.26 0.40 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 8.78 5.64 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.53 0.00 0.00 0.00 0.00 0.00 2.25 2.15 0.00 151 L 8.06 5.63 0.00 1.49 1.45 0.84 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 152 I 8.29 4.89 1.96 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 1.35 1.02 0.95 0.00 0.00 153 I 8.73 5.75 1.68 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 1.24 1.30 0.72 0.00 0.00 154 D 8.30 4.67 0.00 2.53 2.48 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 0.00 0.00 0.00 0.00 155 D 8.87 4.30 0.00 2.67 2.80 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 0.00 156 R 7.65 3.79 0.00 1.79 1.93 0.00 3.12 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 157 I 7.21 4.26 0.85 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.01 0.20 0.00 0.00 158 F 8.77 4.51 0.00 3.02 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 0.00 159 R 7.87 4.61 0.00 1.83 2.08 0.00 3.46 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 160 N 8.11 4.23 0.00 2.87 2.83 0.00 0.00 6.93 9.28 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 0.00 161 D 8.31 4.73 0.00 2.76 2.55 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 0.00 162 F 8.75 4.49 0.00 2.88 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 0.00 163 N 8.44 4.51 0.00 2.78 2.83 0.00 0.00 6.95 7.14 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 0.00 164 G 9.17 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 0.00 0.00 0.00 165 V 7.14 4.52 1.83 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 0.95 0.00 0.00 0.68 0.00 0.00 166 I 8.12 4.60 0.69 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.80 0.60 0.00 0.00 167 S 9.15 4.70 0.00 3.88 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 G 8.02 4.30 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 0.00 169 F 9.12 4.95 0.00 3.23 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 0.00 170 N 9.17 5.17 0.00 2.85 2.77 0.00 0.00 6.61 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 0.00 171 Y 8.77 4.80 0.00 2.73 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 0.00 172 N 8.63 5.39 0.00 2.54 2.57 0.00 0.00 6.22 7.37 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 0.00 173 M 8.86 4.47 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.58 0.00 174 V 8.68 4.28 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 0.72 0.00 0.00 0.92 0.00 0.00 175 Y 7.30 5.14 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 0.00 176 K 8.50 4.60 0.00 1.54 1.96 0.00 1.75 0.00 0.00 1.93 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.48 7.81 177 P 0.00 3.75 0.00 1.88 1.96 0.00 2.81 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.80 0.00 178 E 8.55 4.09 0.00 2.01 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 0.00 2.23 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.