NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 140 R 4.2741 8.2393 120.8623 55.1116 31.2477 175.0308 141 P 4.1448 0.0000 0.0000 62.1612 31.6338 174.6675 142 R 4.0310 9.0604 124.0748 55.8864 31.8230 177.6483 143 A 4.1539 8.0686 122.9203 54.7313 18.5772 178.7197 144 I 4.6141 7.3870 108.9273 58.2076 40.0966 174.9795 145 N 4.4625 9.0356 126.7934 53.4852 39.1707 176.0638 146 K 4.0210 8.8161 125.3336 60.8075 31.5705 179.1915 147 H 4.1310 8.2879 118.2934 59.5821 29.7219 176.2990 148 E 4.1197 9.8593 120.9957 59.9623 29.1680 179.6448 149 Q 4.4151 8.7390 120.5407 59.8323 28.5225 179.0582 *150 E 3.9554 8.3859 118.6181 61.5018 29.4278 181.0893 151 Q 4.1883 8.3243 120.3587 59.3117 29.1953 178.4688 152 I 3.4725 8.4384 121.6955 64.1435 36.8159 178.0795 153 S 3.8797 8.9676 116.7197 62.4133 62.3639 176.5968 154 R 3.9066 8.4346 122.4238 59.4031 28.7161 181.6247 155 L 4.0955 6.6863 117.6028 57.5184 42.2094 179.0303 156 L 3.8723 8.0266 119.5950 57.9704 41.3848 179.0923 157 E 4.2422 8.8505 116.5657 57.4105 29.6821 177.4498 158 K 4.3189 9.2014 117.4903 55.8768 32.5718 174.6502 159 G 3.4432 7.7272 111.6778 42.7847 0.0000 174.5160 160 H 3.7303 6.7765 117.3060 52.4162 29.3810 172.6356 161 P 4.4961 0.0000 0.0000 61.9853 31.1981 177.2782 162 R 3.7493 8.6147 120.7494 58.1522 30.7462 177.6535 163 Q 4.5281 8.5431 118.3900 57.3988 29.5065 177.7460 *164 Q 3.9217 7.8799 118.0795 59.4240 28.7623 177.9739 165 L 4.1556 8.0847 121.0177 57.4224 41.6164 178.9172 166 A 4.1187 7.2983 121.6917 55.3944 18.3107 179.1214 167 I 3.6783 8.4265 118.1426 64.1116 36.8471 178.3244 168 I 3.5764 9.0800 122.7333 65.1432 37.3009 177.7084 169 F 4.0677 9.1111 116.1083 57.7246 38.7474 175.5699 170 G 4.0223 8.5349 109.4664 46.4172 0.0000 173.9687 171 I 4.6302 8.4088 111.9494 57.9879 40.9756 175.0219 172 G 3.7669 8.6463 112.3548 45.7398 0.0000 174.0998 173 V 3.5850 8.7416 122.2313 66.2830 31.4584 178.5191 174 S 4.3442 8.2608 114.0273 62.0922 62.6174 176.5384 175 T 3.9949 7.8492 117.7380 66.7414 68.2243 176.4153 176 L 4.0784 7.8227 120.0022 58.3044 41.8785 179.0901 177 Y 4.5319 8.0057 116.2476 60.8465 37.4533 178.9582 178 R 3.9635 7.8271 119.1630 59.5718 30.4221 177.5567 179 Y 4.0036 8.3970 115.6149 59.6128 38.8426 177.1310 180 F 4.8448 8.5975 119.9235 54.1120 39.3528 173.0622 181 P 4.9836 0.0000 0.0000 61.6182 32.1697 176.6609 182 A 4.2313 8.9929 124.4577 55.6720 18.9164 179.6453 183 S 4.6170 7.9235 109.4115 56.8501 61.5105 174.4027 184 S 4.7103 7.1847 106.0787 57.7936 63.7048 176.4548 185 I 4.2050 7.8925 127.1290 62.8969 37.9987 175.2881 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 140 R 8.24 4.27 0.00 1.80 1.92 0.00 3.23 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 141 P 0.00 4.14 0.00 2.32 2.08 0.00 3.88 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 2.01 2.06 0.00 142 R 9.06 4.03 0.00 1.90 2.14 0.00 3.27 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 143 A 8.07 4.15 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 0.00 144 I 7.39 4.61 1.96 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.61 0.89 0.00 0.00 145 N 9.04 4.46 0.00 2.91 2.94 0.00 0.00 6.90 7.89 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 0.00 146 K 8.82 4.02 0.00 1.78 1.88 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.09 7.81 147 H 8.29 4.13 0.00 3.22 3.55 0.00 5.67 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 0.00 148 E 9.86 4.12 0.00 2.23 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 0.00 2.54 2.71 0.00 149 Q 8.74 4.42 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.69 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 *150 E 8.39 3.96 0.00 1.97 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 0.00 2.33 1.97 0.00 151 Q 8.32 4.19 0.00 2.21 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 152 I 8.44 3.47 1.57 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.22 0.28 0.00 0.00 153 S 8.97 3.88 0.00 4.07 4.15 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 0.00 154 R 8.43 3.91 0.00 1.86 1.72 0.00 3.35 0.00 0.00 3.17 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 155 L 6.69 4.10 0.00 1.48 1.34 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 156 L 8.03 3.87 0.00 1.62 1.53 0.07 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 157 E 8.85 4.24 0.00 1.90 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 0.00 2.32 2.70 0.00 158 K 9.20 4.32 0.00 2.18 1.84 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.23 7.81 159 G 7.73 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 0.00 0.00 0.00 160 H 6.78 3.73 0.00 3.13 3.44 0.00 5.89 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 4.50 0.00 2.21 2.17 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 162 R 8.61 3.75 0.00 1.68 1.68 0.00 2.21 0.00 0.00 2.85 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.31 0.00 163 Q 8.54 4.53 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 *164 Q 7.88 3.92 0.00 2.37 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.02 0.00 165 L 8.08 4.16 0.00 1.61 1.61 0.70 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 166 A 7.30 4.12 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 0.00 167 I 8.43 3.68 2.09 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.80 0.92 0.00 0.00 168 I 9.08 3.58 1.91 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 1.29 0.66 0.73 0.00 0.00 169 F 9.11 4.07 0.00 3.04 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 0.00 170 G 8.53 4.02 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 0.00 0.00 0.00 171 I 8.41 4.63 1.84 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.89 0.99 0.00 0.00 172 G 8.65 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 0.00 0.00 0.00 173 V 8.74 3.59 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 1.24 0.00 0.00 0.98 0.00 0.00 174 S 8.26 4.34 0.00 3.98 3.99 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 0.00 175 T 7.85 3.99 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 176 L 7.82 4.08 0.00 1.74 1.57 0.83 0.80 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 0.00 177 Y 8.01 4.53 0.00 3.08 3.04 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 0.00 178 R 7.83 3.96 0.00 2.25 2.09 0.00 3.30 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 179 Y 8.40 4.00 0.00 2.73 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 0.00 0.00 0.00 180 F 8.60 4.84 0.00 2.78 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 0.00 181 P 0.00 4.98 0.00 2.10 2.07 0.00 3.80 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 182 A 8.99 4.23 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.92 4.62 0.00 4.01 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 0.00 184 S 7.18 4.71 0.00 3.99 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 0.00 185 I 7.89 4.21 1.90 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 1.33 0.89 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.