NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.2663 0.0000 0.0000 62.6611 31.9753 176.4119 2 K 4.1432 8.5019 119.8262 54.5542 32.9598 174.0327 3 H 4.8456 8.7206 122.7281 53.6793 33.0367 173.8508 4 G 4.0463 8.2099 108.0370 43.6183 0.0000 174.4698 5 K 4.2138 8.4438 118.4211 59.1014 32.4177 179.1090 6 R 3.9368 7.8636 119.6235 59.5730 30.6305 177.1146 7 Y 4.1485 7.9712 118.9063 60.6536 39.0713 177.6270 8 R 3.9701 8.1920 118.5690 58.9256 30.2544 178.7425 9 A 4.1464 7.7509 119.7613 54.6153 18.1443 179.4770 10 L 4.0319 7.3325 116.5143 57.3229 41.7903 178.8986 11 L 4.0569 7.0096 116.3013 55.9959 41.9953 176.7778 12 E 4.5797 7.3127 117.5511 55.5345 29.7479 176.7806 13 K 4.5705 7.7342 115.9002 56.6206 36.8477 175.1328 14 V 4.5819 7.5816 110.2727 59.8517 34.9069 174.0818 15 D 4.9580 8.4722 120.9987 51.8537 42.6417 174.6591 16 P 4.4842 0.0000 0.0000 64.9361 31.8794 176.7237 17 N 5.0077 7.8897 115.5999 52.1731 38.7551 175.0099 18 K 4.3062 7.6961 117.6747 54.7554 35.3256 174.8835 19 I 4.3792 8.1691 127.4050 60.3268 37.6095 175.3107 20 Y 4.5210 9.1982 126.2945 57.8563 39.6378 175.3998 21 T 4.7121 8.6193 111.3961 60.6525 71.2166 176.1940 22 I 3.7599 8.2207 122.7058 64.6831 36.6634 178.6765 23 D 4.4864 8.0881 119.3151 57.2852 40.4947 178.5077 24 E 4.0582 7.9750 118.2604 59.2516 29.7199 178.8791 25 A 4.0079 8.1639 120.7661 55.0499 18.0854 179.6058 26 A 3.9823 8.1718 119.3017 55.4251 18.2126 179.3222 27 H 4.0591 7.8602 113.2592 57.9797 29.2512 177.0334 28 L 4.1556 7.6669 121.8999 56.9439 41.7857 178.4374 29 V 3.5198 7.1715 118.5557 66.3403 31.0935 178.1332 30 K 3.9495 7.9505 115.8500 59.4695 31.9775 178.6227 31 E 4.1618 7.9106 117.3126 58.2476 29.5997 178.0498 32 L 4.5059 7.3368 116.4389 53.8258 43.0870 177.0425 33 A 4.6441 7.5598 123.0856 50.2589 18.3341 175.7602 34 T 4.4134 7.8973 107.7567 60.9900 69.5068 175.3890 35 A 4.3850 7.9146 124.7048 51.9039 19.3544 178.3818 36 K 4.4261 8.4149 117.7697 55.8242 31.8301 176.8680 37 F 4.6880 7.2861 111.1857 55.9585 40.2035 173.3694 38 D 4.3972 8.6934 120.9751 53.7199 40.1306 175.5189 39 E 4.0477 8.0264 126.1680 56.3539 31.1524 176.0123 40 T 4.6989 8.5682 118.6180 62.5737 70.6776 174.1655 41 V 4.2156 8.5329 126.2516 62.0175 33.0897 174.5108 42 E 5.0900 9.5099 127.0351 54.4616 33.4703 174.8630 43 V 4.7463 8.4664 123.0346 61.4775 34.2807 173.8896 44 H 5.5568 9.3899 124.4661 54.0145 32.0864 172.8472 45 A 5.0885 9.1082 123.9411 50.1093 22.7082 174.6784 46 K 4.5062 8.8844 124.5262 55.4236 33.4336 175.5834 47 L 4.4538 8.3055 128.2274 53.1659 43.4747 178.0512 48 G 4.2629 8.7694 112.0151 44.2777 0.0000 171.9578 49 I 4.9803 7.3115 113.6920 59.4778 41.3599 175.1364 50 D 4.6980 9.5284 120.8322 52.1467 40.7667 174.4953 51 P 4.6588 0.0000 0.0000 63.4571 31.5789 177.0942 52 R 4.2981 8.0028 117.5996 56.8209 31.0186 176.4177 53 R 4.6666 7.3744 114.9457 54.0385 31.4042 177.4533 54 S 4.2581 8.5884 114.9947 61.1188 62.6559 174.8908 55 D 4.5508 8.0790 118.1115 55.0476 39.5555 176.5738 56 Q 4.6535 7.4104 117.3753 55.7070 29.1121 175.1329 57 N 4.6128 8.1318 115.6177 53.0645 39.5036 174.8632 58 V 4.3347 8.9441 123.2956 61.4958 33.1954 175.0203 59 R 4.7411 8.5113 129.3573 55.5150 32.3573 173.5025 60 G 3.8025 7.5267 114.4533 45.3852 0.0000 170.1261 61 T 5.2852 8.0167 108.4152 60.1428 72.2714 173.7610 62 V 4.6497 8.5122 121.1559 60.5891 35.3770 173.3184 63 S 4.8919 8.7048 118.6793 57.1434 62.8034 173.7089 64 L 4.3734 8.3001 128.1581 53.6693 42.0922 176.0099 65 P 4.2688 0.0000 0.0000 65.0783 31.4654 176.0772 66 H 4.5573 8.1700 114.7590 56.6693 29.6523 171.5086 67 G 3.7859 8.6504 110.1199 43.7859 0.0000 170.4911 *159 G 4.3599 8.2809 103.5330 46.4653 0.0000 171.9196 160 R 4.9670 8.7126 121.7499 55.6035 31.3350 176.2214 161 I 4.6729 8.6733 116.0856 59.2231 41.1064 173.9681 162 E 5.0429 8.7212 121.6467 54.5782 32.5028 175.6587 163 F 5.1236 8.3980 117.1556 55.4221 41.6047 173.5475 164 R 5.2156 8.6423 122.2412 54.6656 32.8974 174.1646 165 N 4.8926 8.9872 124.7726 53.0200 38.4869 174.6999 166 D 4.7828 9.2244 121.4075 52.0504 41.0670 177.4715 167 K 4.1792 8.4581 118.1675 58.7170 32.0679 178.3927 168 T 4.1207 7.9015 107.6738 61.8583 69.5724 175.4771 169 G 3.9803 8.2436 110.4977 44.9782 0.0000 172.8458 170 A 5.0617 8.2769 121.6720 50.3047 22.1103 175.9587 171 I 4.8756 8.5728 118.5444 59.8451 41.8185 173.8098 172 H 5.5044 8.7077 123.0769 54.6133 33.0703 172.5798 173 A 4.5208 8.1802 120.8477 50.0137 22.9526 173.9086 174 P 4.5415 0.0000 0.0000 62.7429 32.0134 176.5247 175 V 4.1920 10.2946 116.5184 60.0653 33.1149 176.3058 176 G 3.5840 7.0239 108.6080 44.1236 0.0000 172.1435 177 K 4.5199 5.6600 118.1609 54.2788 34.3826 177.0879 178 A 4.2142 8.2963 122.5895 53.2983 18.5092 178.5505 179 S 4.5974 7.4293 109.4287 58.1202 63.8420 174.9017 180 F 4.5110 7.6672 119.4169 56.6606 39.4909 173.5196 181 P 4.3977 0.0000 0.0000 61.9280 31.9955 175.7098 182 P 4.1994 0.0000 0.0000 66.0395 31.2151 178.7293 183 E 3.9926 8.0658 115.6395 59.2550 29.5718 179.2083 184 K 3.8489 8.0693 119.5368 58.9744 32.0792 179.3745 185 L 4.0801 7.9296 118.8235 57.7351 41.6675 179.1757 186 A 4.0993 8.2959 120.8438 55.1060 18.4152 179.4460 187 D 4.4206 8.1878 117.4535 57.3963 40.8580 178.6857 188 N 4.4969 8.1844 116.9404 56.1706 38.6098 177.5514 189 I 3.8154 7.8673 121.2861 64.5653 37.3176 178.7424 190 R 3.9584 8.1185 118.7000 59.1934 29.7279 179.0317 191 A 4.0825 8.0624 120.2986 54.9064 18.3704 179.5316 192 F 4.2504 8.3891 119.4790 61.3217 39.4825 177.4908 193 I 3.3627 7.6774 119.4790 64.5259 37.0364 178.6714 194 R 3.9130 7.8875 118.2820 59.0909 29.5944 179.0479 195 A 4.0854 7.4354 120.0380 55.0085 18.7255 179.4069 196 L 4.0062 7.3730 117.4161 58.0020 41.5152 179.4839 197 E 4.0058 7.9859 116.2516 58.3026 29.4895 178.3414 198 A 4.2725 7.5812 119.1149 53.0788 18.9409 177.2836 199 H 4.8460 7.6009 114.3741 55.0223 29.6509 174.0715 200 K 3.4611 7.7915 121.4273 55.3184 32.4757 174.7019 201 P 4.5849 0.0000 0.0000 61.8932 32.5483 175.1757 202 E 4.0931 8.3933 119.5981 57.6167 29.9444 177.4371 203 G 3.9988 8.9705 111.0623 45.2062 0.0000 173.7041 204 A 4.3729 7.2849 121.6846 51.8139 19.0146 176.8557 205 K 4.5781 7.8702 121.2272 55.4940 34.9228 178.6247 206 G 3.8431 8.6241 110.0228 45.7153 0.0000 172.9949 207 T 4.0250 8.3037 117.5930 63.7903 69.3399 174.5735 208 F 4.2236 9.1327 129.4064 61.4011 40.4440 175.1201 209 L 4.4365 7.8692 122.6647 53.3858 40.1973 176.2371 210 R 4.2586 8.6468 123.9531 58.7344 31.0482 177.3612 211 S 4.6719 7.7780 111.8814 56.9031 66.6404 173.5519 212 V 5.0398 8.2148 121.6419 61.4749 34.7356 173.5806 213 Y 5.1899 9.3432 124.4843 56.1748 42.4378 174.3706 214 V 4.8872 8.7380 121.8990 61.5750 34.5318 174.4129 215 T 5.0529 8.9755 121.2665 61.2828 71.7415 171.9561 216 T 4.7666 8.1075 114.2894 60.0594 71.1923 174.5822 217 T 4.3535 8.0855 117.8071 65.7198 68.5209 176.5897 218 M 4.6644 9.2919 119.0770 54.8225 32.5499 175.3433 219 G 4.2572 7.3379 108.0731 42.6801 0.0000 171.2539 220 P 4.6646 0.0000 0.0000 62.2497 32.3080 175.1110 221 S 5.0987 8.2328 112.7590 56.7879 65.8186 173.7668 222 V 4.4909 8.4486 113.4265 59.4365 35.1216 175.1052 223 R 3.9893 8.7487 126.0021 55.9121 31.1092 175.1180 224 I 5.0298 8.2025 119.3866 59.0683 40.8614 174.3582 225 N 4.7882 8.6256 122.5299 51.6158 38.6638 173.4473 226 P 4.3244 0.0000 0.0000 65.2282 32.0061 176.4465 227 H 4.9819 7.8304 117.1271 55.1540 28.7920 174.9686 228 S 4.2294 7.7057 118.4531 58.6227 63.0157 173.7921 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 P 0.00 4.27 0.00 2.08 1.86 0.00 3.65 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 1.64 1.85 0.00 2 K 8.50 4.14 0.00 1.77 1.69 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.51 7.81 3 H 8.72 4.85 0.00 3.24 3.14 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.21 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 0.00 0.00 0.00 5 K 8.44 4.21 0.00 2.01 2.10 0.00 1.52 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 R 7.86 3.94 0.00 1.86 2.05 0.00 3.42 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 7 Y 7.97 4.15 0.00 3.11 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 8 R 8.19 3.97 0.00 1.98 1.99 0.00 3.23 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.97 0.00 9 A 7.75 4.15 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.33 4.03 0.00 1.57 1.44 0.95 0.71 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 11 L 7.01 4.06 0.00 1.70 1.63 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.31 4.58 0.00 2.13 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 13 K 7.73 4.57 0.00 1.61 1.81 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.44 7.81 14 V 7.58 4.58 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 0.66 0.00 0.00 0.97 0.00 0.00 15 D 8.47 4.96 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.48 0.00 2.12 2.15 0.00 3.73 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 2.05 2.14 0.00 17 N 7.89 5.01 0.00 2.69 2.79 0.00 0.00 6.58 7.61 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 18 K 7.70 4.31 0.00 1.73 1.62 0.00 1.43 0.00 0.00 0.61 0.00 0.00 2.71 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.64 1.13 7.81 19 I 8.17 4.38 1.83 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 1.30 0.66 0.86 0.00 0.00 20 Y 9.20 4.52 0.00 3.03 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 21 T 8.62 4.71 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 1.22 0.00 0.00 22 I 8.22 3.76 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 1.54 1.00 0.94 0.00 0.00 23 D 8.09 4.49 0.00 2.80 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.97 4.06 0.00 2.22 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 2.41 2.37 0.00 25 A 8.16 4.01 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 26 A 8.17 3.98 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 27 H 7.86 4.06 0.00 3.26 3.40 0.00 5.85 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.67 4.16 0.00 1.92 1.72 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.17 3.52 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.96 0.00 0.00 30 K 7.95 3.95 0.00 1.75 1.84 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.18 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 31 E 7.91 4.16 0.00 2.08 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 0.00 2.33 2.48 0.00 32 L 7.34 4.51 0.00 1.48 1.62 0.80 0.83 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 33 A 7.56 4.64 1.16 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 0.00 0.00 34 T 7.90 4.41 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 1.18 0.00 0.00 35 A 7.91 4.38 1.21 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 36 K 8.41 4.43 0.00 1.88 1.92 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.48 7.81 37 F 7.29 4.69 0.00 3.08 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.69 4.40 0.00 2.69 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 39 E 8.03 4.05 0.00 1.74 1.62 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 1.47 1.91 0.00 40 T 8.57 4.70 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 1.17 0.00 0.00 41 V 8.53 4.22 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 0.88 0.00 0.00 0.80 0.00 0.00 42 E 9.51 5.09 0.00 1.91 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 43 V 8.47 4.75 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.98 0.00 0.00 44 H 9.39 5.56 0.00 3.20 3.26 0.00 5.61 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 45 A 9.11 5.09 1.11 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 0.00 0.00 46 K 8.88 4.51 0.00 1.95 1.72 0.00 1.49 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.44 7.81 47 L 8.31 4.45 0.00 1.58 1.22 0.86 0.19 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 48 G 8.77 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 49 I 7.31 4.98 2.05 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 1.31 0.79 1.11 0.00 0.00 50 D 9.53 4.70 0.00 2.65 2.62 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 51 P 0.00 4.66 0.00 2.38 2.15 0.00 3.82 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 2.00 1.99 0.00 52 R 8.00 4.30 0.00 1.86 2.02 0.00 3.30 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.71 0.00 53 R 7.37 4.67 0.00 2.18 2.04 0.00 2.95 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 54 S 8.59 4.26 0.00 3.86 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 55 D 8.08 4.55 0.00 2.84 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 56 Q 7.41 4.65 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 57 N 8.13 4.61 0.00 2.74 2.78 0.00 0.00 6.91 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 58 V 8.94 4.33 2.24 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 1.25 0.00 0.00 1.19 0.00 0.00 59 R 8.51 4.74 0.00 1.78 1.72 0.00 3.27 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.55 0.00 60 G 7.53 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.02 5.29 4.25 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 1.13 0.00 0.00 62 V 8.51 4.65 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 0.96 0.00 0.00 1.06 0.00 0.00 63 S 8.70 4.89 0.00 3.94 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.30 4.37 0.00 1.71 1.80 0.94 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.27 0.00 1.93 2.13 0.00 3.85 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.01 0.00 66 H 8.17 4.56 0.00 3.26 3.22 0.00 5.63 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.65 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 *159 G 8.28 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 0.00 0.00 0.00 0.00 160 R 8.71 4.97 0.00 1.74 1.90 0.00 3.18 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 161 I 8.67 4.67 1.89 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 1.48 1.13 0.91 0.00 0.00 162 E 8.72 5.04 0.00 1.84 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 0.00 2.17 2.26 0.00 163 F 8.40 5.12 0.00 3.23 3.24 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 0.00 164 R 8.64 5.22 0.00 1.77 1.82 0.00 3.23 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 165 N 8.99 4.89 0.00 2.82 2.88 0.00 0.00 7.02 7.41 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 0.00 166 D 9.22 4.78 0.00 2.91 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 0.00 167 K 8.46 4.18 0.00 1.78 1.93 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.38 7.81 168 T 7.90 4.12 4.25 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 1.22 0.00 0.00 169 G 8.24 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 0.00 170 A 8.28 5.06 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 I 8.57 4.88 1.89 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.94 0.97 0.00 0.00 172 H 8.71 5.50 0.00 3.02 3.03 0.00 5.79 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 0.00 173 A 8.18 4.52 0.43 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 0.00 174 P 0.00 4.54 0.00 2.01 2.01 0.00 3.61 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 175 V 10.29 4.19 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 0.54 0.00 0.00 0.90 0.00 0.00 176 G 7.02 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 0.00 0.00 0.00 177 K 5.66 4.52 0.00 1.41 1.56 0.00 1.54 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.08 1.36 7.81 178 A 8.30 4.21 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 S 7.43 4.60 0.00 3.95 4.11 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 0.00 180 F 7.67 4.51 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 P 0.00 4.40 0.00 2.13 2.01 0.00 3.51 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 182 P 0.00 4.20 0.00 1.90 1.76 0.00 3.56 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 183 E 8.07 3.99 0.00 2.16 2.21 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 2.32 2.33 0.00 184 K 8.07 3.85 0.00 1.98 1.74 0.00 1.38 0.00 0.00 1.30 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.92 1.29 7.81 185 L 7.93 4.08 0.00 1.87 1.71 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 186 A 8.30 4.10 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 D 8.19 4.42 0.00 3.01 2.83 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 0.00 188 N 8.18 4.50 0.00 2.93 2.95 0.00 0.00 6.93 8.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 I 7.87 3.82 1.91 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 1.55 0.81 0.96 0.00 0.00 190 R 8.12 3.96 0.00 1.91 2.00 0.00 3.15 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 191 A 8.06 4.08 1.46 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 0.00 192 F 8.39 4.25 0.00 3.03 3.18 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 0.00 193 I 7.68 3.36 1.96 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.87 0.83 0.00 0.00 194 R 7.89 3.91 0.00 1.85 1.97 0.00 3.29 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.80 0.00 195 A 7.44 4.09 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 0.00 196 L 7.37 4.01 0.00 1.70 1.75 0.27 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 197 E 7.99 4.01 0.00 2.07 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 0.00 2.50 2.53 0.00 198 A 7.58 4.27 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 0.00 199 H 7.60 4.85 0.00 3.31 3.39 0.00 5.86 0.00 0.00 0.00 0.00 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 K 7.79 3.46 0.00 0.79 1.32 0.00 1.26 0.00 0.00 1.48 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.06 0.35 7.81 201 P 0.00 4.58 0.00 2.37 2.19 0.00 3.51 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 202 E 8.39 4.09 0.00 1.96 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 2.30 2.35 0.00 203 G 8.97 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 0.00 0.00 0.00 0.00 204 A 7.28 4.37 1.45 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 0.00 205 K 7.87 4.58 0.00 1.80 1.73 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.52 7.81 206 G 8.62 3.84 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 0.00 0.00 0.00 207 T 8.30 4.02 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 1.29 0.00 0.00 208 F 9.13 4.22 0.00 3.06 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 0.00 209 L 7.87 4.44 0.00 1.52 1.53 0.84 0.62 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 0.00 210 R 8.65 4.26 0.00 1.80 1.99 0.00 3.17 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 211 S 7.78 4.67 0.00 3.94 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 0.00 212 V 8.21 5.04 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 1.10 0.00 0.00 0.86 0.00 0.00 213 Y 9.34 5.19 0.00 2.95 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 0.00 214 V 8.74 4.89 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 0.92 0.00 0.00 0.95 0.00 0.00 215 T 8.98 5.05 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 1.29 0.00 0.00 216 T 8.11 4.77 4.25 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 1.14 0.00 0.00 217 T 8.09 4.35 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 1.42 0.00 0.00 218 M 9.29 4.66 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.67 0.00 219 G 7.34 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 0.00 220 P 0.00 4.66 0.00 2.07 1.71 0.00 3.64 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 221 S 8.23 5.10 0.00 4.02 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 V 8.45 4.49 1.53 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 0.10 0.00 0.00 0.73 0.00 0.00 223 R 8.75 3.99 0.00 1.47 1.67 0.00 2.83 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.97 0.00 224 I 8.20 5.03 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 1.18 0.79 0.91 0.00 0.00 225 N 8.63 4.79 0.00 2.75 2.78 0.00 0.00 7.19 7.21 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 0.00 226 P 0.00 4.32 0.00 2.00 2.06 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.88 0.00 227 H 7.83 4.98 0.00 3.29 3.32 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 S 7.71 4.23 0.00 3.92 3.76 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 * Residues marked with a * may have inaccurate shift predictions.