NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 113 A 4.3893 8.2649 123.5859 52.4014 20.0510 176.7153 114 R 4.5002 7.8444 119.0274 53.3301 33.7144 173.7586 115 H 5.0575 8.4400 117.1982 53.3113 32.7195 172.6432 116 C 4.2660 8.5257 118.9837 59.6224 31.7564 174.2952 117 G 3.8316 8.5495 113.9908 46.8907 0.0000 173.7748 118 H 4.6013 7.9969 115.5915 56.2664 29.4512 175.1258 119 C 4.7844 7.4898 114.5824 54.1518 44.2052 171.5697 120 P 4.2598 0.0000 0.0000 61.8514 31.0329 175.9916 121 E 3.2837 8.0381 120.0705 59.3804 29.6931 177.0633 122 E 4.5207 8.1484 116.4036 56.7065 30.2290 176.2490 123 W 5.1327 8.3340 118.2947 55.9813 31.8189 175.3459 124 I 4.8338 8.4942 115.4537 59.4595 40.1093 174.3287 125 T 4.4900 8.6892 114.5013 61.2554 69.7966 171.6703 126 Y 4.2137 9.0157 128.5086 56.8608 40.4961 175.3146 127 S 4.1744 7.9742 121.5041 56.8456 63.4467 173.6499 128 N 4.1935 8.7323 120.5801 53.6105 37.1663 174.4200 129 S 4.7691 7.9070 112.6726 56.5701 66.2288 173.2618 130 C 5.0670 8.8268 120.4149 56.9710 36.3243 171.9552 131 Y 5.4402 9.4190 117.9848 56.5243 42.2762 173.7329 132 Y 4.0066 8.3203 123.1667 55.5506 41.0523 174.3997 133 I 3.5167 7.2188 127.4072 59.9589 37.6741 175.5344 134 G 2.9877 8.5876 116.5545 43.0271 0.0000 174.3367 135 K 3.8155 7.7549 118.5338 55.8404 30.7645 175.1575 136 E 4.7613 7.3941 117.8024 54.4901 32.7928 175.5538 137 R 4.7645 8.6659 122.9027 55.5483 30.8539 175.6830 138 R 4.8625 9.4770 122.9081 55.0137 35.1690 174.1102 139 T 5.0175 8.1871 114.1936 60.7101 69.2560 175.0195 140 W 3.0754 7.6750 135.0000 61.0047 30.4360 177.6312 141 E 3.7972 8.3502 116.7292 60.3148 28.7483 179.0635 142 E 3.7958 7.9089 117.1241 59.7669 29.5908 179.6245 143 S 3.1989 8.5516 116.1145 61.3040 62.9323 176.6451 144 L 3.5387 7.4769 123.2243 57.6641 41.6115 178.9250 145 L 3.7793 7.6105 118.7092 57.7536 41.4013 179.0849 146 A 3.8753 8.1728 120.0809 55.5320 18.4519 178.7234 147 C 4.4582 7.6998 114.5946 60.6554 40.1280 176.5718 148 T 3.9715 7.4661 116.5760 65.4533 68.1195 176.2070 149 S 4.3577 8.2557 113.8470 59.3243 62.2731 174.2694 150 K 4.4565 7.8979 120.4525 56.6363 32.2873 177.1406 151 N 4.2572 8.4665 113.7669 53.6818 36.3523 173.2147 152 S 4.7935 7.5848 112.7224 56.6809 66.9730 172.9274 153 S 4.7226 8.2890 115.2597 56.5544 65.5732 173.8215 154 L 4.4392 8.2631 122.8083 54.5335 42.9303 176.0988 155 L 4.2519 8.4244 126.7237 55.9184 42.9050 176.0956 156 S 5.0777 8.8781 120.3792 56.4574 65.3358 173.3334 157 I 4.4749 8.3542 124.0211 60.4256 37.1968 174.7307 158 D 4.6273 9.7077 128.9437 54.5536 41.8912 175.7989 159 N 5.1154 7.5857 116.2751 51.8106 41.8165 175.5063 160 E 4.2087 8.8452 119.4182 57.2704 29.0044 177.7563 161 E 4.5843 8.1164 121.2491 56.8606 31.4866 177.4931 162 E 3.6991 8.2486 119.0278 59.3279 29.4701 178.2861 163 M 4.0379 8.0338 117.2677 58.2693 32.1331 177.6687 164 K 4.0466 7.9942 119.4141 59.3161 32.4735 178.1088 165 F 4.0764 7.6389 120.6508 61.4805 38.7897 176.9085 166 L 3.3176 8.0223 119.1282 56.9568 41.5673 178.4541 167 S 4.1900 7.2852 112.1092 60.5802 63.5094 175.5544 168 I 3.9342 7.3278 121.1232 62.2538 37.1276 177.1789 169 I 3.9140 6.9184 120.2386 61.1873 37.7471 175.7465 170 S 4.4074 6.9574 113.4843 56.9553 67.1500 173.0314 171 P 4.4924 0.0000 0.0000 64.3824 32.7632 175.9740 172 S 5.2319 7.5398 114.0931 55.7432 64.9899 173.8038 173 S 5.3453 7.8936 115.3751 57.5887 65.5936 173.7458 174 W 5.1446 8.9193 126.6931 57.0297 29.5147 175.3736 175 I 4.8131 8.5088 117.4878 58.1245 39.7117 176.7109 176 G 4.3431 8.7182 112.2477 46.2951 0.0000 173.7491 177 V 5.0409 7.8172 119.0985 61.5190 35.3654 174.4861 178 F 5.4094 9.0812 122.2905 55.5940 41.6809 173.9265 179 R 3.9493 8.2873 119.3930 55.1021 31.6599 175.1882 180 N 4.4988 8.6688 117.0240 54.0936 39.5006 177.8916 181 S 4.5789 7.6551 115.1622 56.8551 65.6360 174.4059 182 S 4.1006 8.6349 115.7889 61.5472 62.3866 174.9318 183 H 4.5841 7.4647 120.8654 54.3345 28.5212 172.5584 184 H 4.8649 7.5326 120.2951 52.9749 33.0721 171.4197 185 P 4.5913 0.0000 0.0000 62.4082 32.3880 176.1200 186 W 4.2043 8.8848 121.6106 56.7538 30.3548 175.3491 187 V 4.9272 8.4836 124.1305 61.1655 34.6854 175.8539 188 T 5.1420 8.3734 116.2807 60.5580 70.3849 175.1683 189 M 4.2855 8.7536 120.1518 58.9216 31.9803 177.8221 190 N 4.2643 8.2734 114.6496 55.0459 38.7275 176.0549 191 G 3.9310 7.9389 104.8872 45.1940 0.0000 173.1990 192 L 4.3162 7.4625 118.7213 53.0836 42.7015 176.1907 193 A 4.3963 8.4363 125.0408 51.9181 18.4233 177.4822 194 F 4.6075 9.0084 126.4293 58.8616 40.4255 175.7992 195 K 4.4944 7.7271 126.2689 55.1472 32.2086 175.6321 196 H 4.5588 6.2275 113.4898 53.8119 33.1951 174.0551 197 E 3.9834 8.5453 122.6465 56.4424 29.7993 176.4853 198 I 4.4959 7.8930 122.7625 59.0182 40.7088 174.2217 199 K 4.2341 8.3135 127.2815 55.2239 33.3309 176.2720 *204 A 4.3618 8.4519 126.1197 52.1415 20.1726 177.3502 205 E 4.5064 8.0708 112.6032 55.8380 29.7820 175.1497 206 L 4.6433 7.7205 116.9707 53.7961 42.9821 176.1137 207 N 4.8315 8.6562 115.8200 52.4513 41.9795 173.2773 208 C 5.2630 8.3437 115.9898 55.0303 38.6580 173.0076 209 A 5.3235 8.8610 123.5599 51.2256 20.9960 176.5703 210 V 4.7571 8.9132 111.9166 59.4383 36.7759 174.5555 211 L 4.7520 8.8533 125.7573 54.5601 43.1812 175.8195 212 Q 4.4540 8.8265 125.0747 54.6169 32.6561 175.0589 213 V 3.3161 9.1814 117.5326 62.8898 28.6971 172.8638 214 N 4.2535 8.0699 112.7275 54.0940 37.9565 173.4807 215 R 4.7001 7.5295 111.8043 54.2187 34.7680 173.7016 216 L 5.1324 8.2826 119.4647 53.1743 44.0670 175.5711 217 K 4.8545 9.0475 124.0655 54.5579 36.3211 174.3747 218 S 5.0834 8.6051 118.6305 57.2047 63.4108 172.9999 219 A 4.9245 9.3423 128.0273 49.7702 23.3611 175.0039 220 Q 4.0901 8.7789 120.6731 56.2995 29.5947 177.9276 221 C 4.4168 9.1083 123.3653 58.7790 40.3291 175.1162 222 G 3.8668 7.9092 107.3223 46.1367 0.0000 174.3804 223 S 4.3162 8.4985 117.2708 59.1111 63.5744 175.1108 224 S 4.8752 8.8613 120.5892 57.9523 62.4896 173.0390 225 I 4.5367 9.0165 125.8988 59.1342 41.1381 174.2256 226 I 5.1587 8.1769 122.9452 59.9864 38.4712 174.7799 227 Y 5.1955 8.3202 123.8015 55.5587 40.8279 174.0380 228 H 5.2462 8.7281 118.5795 54.3792 32.2831 172.3915 229 C 5.3845 8.8761 119.0726 55.4842 37.7054 172.7489 230 K 5.1623 9.2240 121.7467 55.5363 35.7396 175.1639 231 H 5.5350 8.4055 122.4341 54.0601 32.1851 174.4345 232 K 4.1886 8.6718 118.3728 57.4364 32.4975 175.9716 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 113 A 8.26 4.39 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.84 4.50 0.00 1.84 1.78 0.00 3.32 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 115 H 8.44 5.06 0.00 3.26 3.36 0.00 5.72 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 C 8.53 4.27 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 0.00 117 G 8.55 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 H 8.00 4.60 0.00 3.13 3.33 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 C 7.49 4.78 0.00 3.05 2.93 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 0.00 0.00 0.00 120 P 0.00 4.26 0.00 1.12 1.57 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.25 0.00 121 E 8.04 3.28 0.00 1.84 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 2.30 2.20 0.00 122 E 8.15 4.52 0.00 2.22 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 2.63 2.50 0.00 123 W 8.33 5.13 0.00 3.37 3.39 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 0.00 124 I 8.49 4.83 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.53 0.96 0.00 0.00 125 T 8.69 4.49 4.32 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 0.00 0.00 0.00 1.33 0.00 0.00 126 Y 9.02 4.21 0.00 2.71 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 0.00 127 S 7.97 4.17 0.00 3.34 3.77 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 0.00 128 N 8.73 4.19 0.00 2.86 2.86 0.00 0.00 6.94 7.57 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 0.00 129 S 7.91 4.77 0.00 3.69 3.89 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 0.00 130 C 8.83 5.07 0.00 3.28 3.44 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 0.00 131 Y 9.42 5.44 0.00 2.93 2.69 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 0.00 0.00 0.00 132 Y 8.32 4.01 0.00 1.43 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 I 7.22 3.52 1.46 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.09 0.59 0.00 0.00 134 G 8.59 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 0.00 0.00 0.00 135 K 7.75 3.82 0.00 1.79 1.84 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.22 1.24 7.81 136 E 7.39 4.76 0.00 1.95 1.98 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 2.28 2.28 0.00 137 R 8.67 4.76 0.00 1.74 1.96 0.00 3.17 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 138 R 9.48 4.86 0.00 1.86 1.80 0.00 3.28 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.95 0.00 139 T 8.19 5.02 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 1.24 0.00 0.00 140 W 7.67 3.08 0.00 1.90 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.35 3.80 0.00 1.95 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 2.45 2.36 0.00 142 E 7.91 3.80 0.00 2.03 1.87 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 2.33 2.34 0.00 143 S 8.55 3.20 0.00 3.35 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 0.00 144 L 7.48 3.54 0.00 0.54 1.24 0.68 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.61 3.78 0.00 1.71 1.57 0.82 0.77 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 0.00 146 A 8.17 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 C 7.70 4.46 0.00 3.01 3.17 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 0.00 148 T 7.47 3.97 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 1.18 0.00 0.00 149 S 8.26 4.36 0.00 3.79 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 0.00 150 K 7.90 4.46 0.00 2.12 1.93 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.63 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.37 7.81 151 N 8.47 4.26 0.00 2.84 2.92 0.00 0.00 6.88 7.57 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 0.00 152 S 7.58 4.79 0.00 4.17 3.96 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 0.00 0.00 0.00 153 S 8.29 4.72 0.00 3.86 3.85 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 0.00 0.00 0.00 0.00 154 L 8.26 4.44 0.00 1.49 1.53 0.82 0.53 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 0.00 155 L 8.42 4.25 0.00 2.17 1.86 1.21 1.33 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 0.00 156 S 8.88 5.08 0.00 4.09 3.89 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 0.00 157 I 8.35 4.47 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.95 0.92 0.00 0.00 158 D 9.71 4.63 0.00 2.79 2.70 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 0.00 0.00 0.00 159 N 7.59 5.12 0.00 2.79 2.71 0.00 0.00 6.97 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 0.00 160 E 8.85 4.21 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 161 E 8.12 4.58 0.00 2.16 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 2.28 2.32 0.00 162 E 8.25 3.70 0.00 2.20 2.20 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 2.47 2.42 0.00 163 M 8.03 4.04 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 164 K 7.99 4.05 0.00 1.92 1.82 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.58 7.81 165 F 7.64 4.08 0.00 2.81 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 0.00 166 L 8.02 3.32 0.00 1.94 1.52 0.41 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 167 S 7.29 4.19 0.00 4.01 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 0.00 168 I 7.33 3.93 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.64 0.83 0.00 0.00 169 I 6.92 3.91 1.22 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 -0.36 0.52 0.00 0.00 170 S 6.96 4.41 0.00 3.71 3.67 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 0.00 171 P 0.00 4.49 0.00 2.02 2.20 0.00 3.55 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 1.96 1.87 0.00 172 S 7.54 5.23 0.00 3.68 3.73 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 0.00 173 S 7.89 5.35 0.00 3.56 3.60 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 0.00 174 W 8.92 5.14 0.00 3.27 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 I 8.51 4.81 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.81 1.01 0.00 0.00 176 G 8.72 4.34 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 0.00 177 V 7.82 5.04 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 0.96 0.00 0.00 -0.29 0.00 0.00 178 F 9.08 5.41 0.00 2.67 2.40 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 0.00 179 R 8.29 3.95 0.00 0.97 1.61 0.00 2.85 0.00 0.00 2.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 180 N 8.67 4.50 0.00 2.66 2.72 0.00 0.00 6.88 7.57 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 0.00 181 S 7.66 4.58 0.00 3.92 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 0.00 182 S 8.63 4.10 0.00 3.85 3.97 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 0.00 183 H 7.46 4.58 0.00 2.98 3.12 0.00 5.94 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 H 7.53 4.86 0.00 2.96 3.02 0.00 5.77 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 P 0.00 4.59 0.00 2.10 2.06 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 186 W 8.88 4.20 0.00 3.44 3.28 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 0.00 187 V 8.48 4.93 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 1.02 0.00 0.00 0.80 0.00 0.00 188 T 8.37 5.14 4.32 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 0.00 0.00 0.00 1.38 0.00 0.00 189 M 8.75 4.29 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.64 0.00 190 N 8.27 4.26 0.00 2.77 2.96 0.00 0.00 7.08 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 0.00 191 G 7.94 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 192 L 7.46 4.32 0.00 1.82 1.65 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 193 A 8.44 4.40 1.29 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 0.00 194 F 9.01 4.61 0.00 3.00 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 0.00 195 K 7.73 4.49 0.00 1.60 1.55 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.52 7.81 196 H 6.23 4.56 0.00 2.15 2.97 0.00 5.90 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 E 8.55 3.98 0.00 1.91 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 0.00 2.27 2.24 0.00 198 I 7.89 4.50 1.71 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 1.04 0.54 -0.07 0.00 0.00 199 K 8.31 4.23 0.00 1.75 1.69 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.31 7.81 *204 A 8.45 4.36 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 205 E 8.07 4.51 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 206 L 7.72 4.64 0.00 1.84 1.83 1.07 1.05 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 0.00 207 N 8.66 4.83 0.00 2.48 2.70 0.00 0.00 6.58 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 C 8.34 5.26 0.00 2.87 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 0.00 209 A 8.86 5.32 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 0.00 210 V 8.91 4.76 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 0.11 0.00 0.00 0.85 0.00 0.00 211 L 8.85 4.75 0.00 1.74 1.65 0.89 0.52 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 0.00 212 Q 8.83 4.45 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.87 0.00 0.00 0.00 0.00 0.00 2.17 2.06 0.00 213 V 9.18 3.32 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 0.58 0.00 0.00 0.89 0.00 0.00 214 N 8.07 4.25 0.00 2.81 2.86 0.00 0.00 7.08 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 0.00 215 R 7.53 4.70 0.00 1.83 1.71 0.00 3.29 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 216 L 8.28 5.13 0.00 1.77 1.52 1.16 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 217 K 9.05 4.85 0.00 1.70 1.55 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.31 7.81 218 S 8.61 5.08 0.00 4.05 3.85 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 0.00 0.00 0.00 0.00 219 A 9.34 4.92 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 0.00 220 Q 8.78 4.09 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.89 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 221 C 9.11 4.42 0.00 2.93 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 0.00 222 G 7.91 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 0.00 223 S 8.50 4.32 0.00 4.10 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 0.00 224 S 8.86 4.88 0.00 3.83 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 0.00 225 I 9.02 4.54 0.92 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.61 0.46 0.00 0.00 226 I 8.18 5.16 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 2.01 0.73 0.00 0.00 227 Y 8.32 5.20 0.00 3.06 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 H 8.73 5.25 0.00 3.11 3.24 0.00 5.59 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 C 8.88 5.38 0.00 2.93 3.27 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 0.00 230 K 9.22 5.16 0.00 1.89 1.64 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.14 0.82 7.81 231 H 8.41 5.53 0.00 3.28 3.25 0.00 5.85 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 K 8.67 4.19 0.00 1.71 1.68 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.46 7.81 * Residues marked with a * may have inaccurate shift predictions.