NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 151 H 4.8781 8.4677 119.7841 56.2374 31.4484 175.0194 *153 Q 4.3823 8.3114 117.1817 53.9026 29.6790 178.0912 154 K 4.4725 7.4654 120.9781 53.1488 33.0676 172.4083 155 P 4.5087 0.0000 0.0000 62.3138 32.9701 175.5432 156 I 5.1253 8.0002 115.4977 59.2174 42.1936 173.7016 157 V 4.7923 8.5965 121.2179 61.1660 34.8660 174.3044 158 R 4.5793 8.4426 127.0026 55.4683 31.8380 175.5141 159 V 4.7400 8.6447 123.9515 61.0190 34.4191 174.2625 160 F 4.7057 9.3596 128.1494 57.0344 40.0162 175.3501 161 L 5.0654 9.0859 124.3405 52.0252 44.3175 174.5493 162 P 4.3197 0.0000 0.0000 63.5835 32.6998 176.0281 163 N 3.9638 9.2555 115.9636 54.7367 35.6738 174.9124 164 K 3.9652 8.4317 112.7650 57.5512 29.7617 175.5585 165 Q 4.8991 7.5533 116.4613 54.5564 31.8058 174.4528 166 R 4.9680 8.0897 115.8786 55.8553 33.0195 173.4891 167 T 4.4864 8.3947 112.2482 61.2729 71.3253 171.8891 168 V 4.8871 8.2719 124.5715 61.1308 34.1701 175.0189 169 V 4.7044 8.4507 119.6710 58.6198 35.5203 173.4959 170 P 4.6418 0.0000 0.0000 62.5498 32.0893 176.5732 171 A 4.6417 8.3761 124.9813 50.7989 16.5605 176.5979 172 R 4.1967 7.6020 121.2334 54.3200 31.8702 176.7176 173 C 3.9733 8.4283 120.0967 61.7383 28.4688 174.3171 174 G 3.9405 9.3113 112.4727 45.0595 0.0000 173.0466 175 V 4.3205 7.2741 119.4248 60.9285 33.3142 175.5688 176 T 5.2823 8.1819 118.7478 60.8348 71.0065 175.8725 177 V 3.6487 8.3509 120.9934 66.3100 31.5417 177.5435 178 R 3.9804 8.5761 118.4303 60.3885 29.5966 178.0204 179 D 4.3849 8.6418 118.1690 57.5053 40.9328 178.8448 180 S 4.3126 8.2824 115.0688 60.7229 63.1545 175.6290 181 L 4.5926 7.9779 119.3435 54.3520 41.8382 178.1524 182 K 3.7922 7.6341 120.7894 59.4060 32.1520 178.1888 183 K 4.0428 7.9175 117.8364 59.5384 32.3922 178.0194 184 A 4.3305 7.9941 119.1511 54.4405 19.1921 178.3026 185 L 4.1727 7.7865 118.7322 54.2872 40.0937 177.4019 *188 R 4.1626 7.9419 119.5852 55.2145 31.7712 176.0317 189 G 3.8704 8.3278 104.5889 46.6282 0.0000 173.6935 190 L 4.9080 8.0779 118.3123 52.3625 45.2562 176.0545 191 I 4.6173 7.6329 111.9362 58.3275 40.8763 174.5009 192 P 3.1942 0.0000 0.0000 65.4365 31.0016 178.2298 193 E 4.0606 7.7621 115.2161 57.9508 29.4729 176.6747 194 C 4.8411 8.3912 114.1017 57.9960 30.9159 172.9113 195 C 5.6354 8.3515 115.8329 58.5891 32.0935 172.9284 196 A 5.0531 9.2759 122.0448 50.1699 22.1289 175.8095 197 V 4.6421 7.2035 118.0110 59.9603 34.7084 174.1626 198 Y 5.3211 9.0323 120.0426 56.3458 42.5248 174.7170 199 R 5.0249 9.0123 118.5392 54.9835 32.8458 174.6692 200 I 4.5622 7.7590 119.8062 59.3916 39.0748 175.9400 *205 K 4.1107 8.5434 125.3522 56.0937 33.2157 175.0262 206 K 4.8319 8.7158 123.1933 53.7143 34.7316 173.9902 207 P 4.7665 0.0000 0.0000 62.6607 32.1020 175.5942 208 I 4.5523 7.8543 115.3989 58.6634 40.8308 175.5494 209 G 3.7154 8.3661 112.0285 44.9465 0.0000 174.9768 210 W 4.2827 8.7122 121.8134 59.3356 29.2380 177.3257 211 D 4.9761 8.0602 115.6770 54.2339 40.8340 176.6257 212 T 3.9172 7.8211 118.0226 63.5245 69.1399 173.0741 213 D 4.8446 8.8329 125.3436 53.8734 41.6145 176.6955 214 I 3.8254 9.3306 128.6477 64.1219 37.3895 177.8544 215 S 4.0557 8.4771 115.0985 60.9033 62.4727 176.4104 216 W 4.3721 8.0138 121.7712 58.7135 28.8671 176.6604 217 L 4.6343 7.8983 118.0581 54.4146 41.3930 176.1631 218 T 4.1472 7.2543 115.4913 65.6053 68.5860 174.6862 219 G 3.9740 8.9775 115.0449 45.2946 0.0000 173.3978 220 E 4.4375 8.3243 119.7075 56.0446 31.1106 175.2136 221 E 4.9533 8.7014 120.3868 55.1345 31.8317 175.3770 222 L 5.0570 9.0930 124.2810 53.6150 45.0696 175.0713 223 H 5.5226 9.4931 118.2000 54.1130 32.4388 172.8525 224 V 5.0128 9.0576 122.5151 61.2794 33.6498 174.5598 225 E 4.9835 9.4217 126.6056 54.4153 33.6740 175.1817 226 V 4.2844 8.4159 122.1441 62.3229 32.3913 175.9373 227 L 4.3486 8.7573 127.8649 54.4912 42.3724 177.0672 228 E 3.9718 8.7716 120.4741 56.9130 29.8542 177.6823 229 N 4.6121 8.4886 121.4464 52.6687 37.5692 173.2624 230 V 4.4096 7.7141 121.8972 59.6280 34.6030 173.6302 231 P 4.3265 0.0000 0.0000 62.9198 31.9995 176.0796 232 L 3.9499 8.3640 120.1234 55.8096 42.9285 174.0378 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 151 H 8.47 4.88 0.00 3.11 3.37 0.00 5.75 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *153 Q 8.31 4.38 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 6.83 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 154 K 7.47 4.47 0.00 1.71 1.68 0.00 1.61 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.35 7.81 155 P 0.00 4.51 0.00 2.07 2.15 0.00 3.58 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 156 I 8.00 5.13 1.84 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 1.17 0.63 0.86 0.00 0.00 157 V 8.60 4.79 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 1.05 0.00 0.00 1.00 0.00 0.00 158 R 8.44 4.58 0.00 1.79 1.67 0.00 3.15 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 159 V 8.64 4.74 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 1.03 0.00 0.00 0.94 0.00 0.00 160 F 9.36 4.71 0.00 2.81 2.96 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 0.00 161 L 9.09 5.07 0.00 1.50 1.63 0.93 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 162 P 0.00 4.32 0.00 2.12 2.05 0.00 3.80 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 163 N 9.26 3.96 0.00 2.91 2.95 0.00 0.00 7.00 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 0.00 164 K 8.43 3.97 0.00 1.95 1.96 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.42 7.81 165 Q 7.55 4.90 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 166 R 8.09 4.97 0.00 1.51 1.47 0.00 3.03 0.00 0.00 2.97 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 167 T 8.39 4.49 4.21 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 1.19 0.00 0.00 168 V 8.27 4.89 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 0.85 0.00 0.00 0.87 0.00 0.00 169 V 8.45 4.70 2.09 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 0.70 0.00 0.00 0.95 0.00 0.00 170 P 0.00 4.64 0.00 2.05 2.03 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 1.98 1.96 0.00 171 A 8.38 4.64 1.22 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 0.00 0.00 0.00 172 R 7.60 4.20 0.00 1.87 1.83 0.00 3.13 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 173 C 8.43 3.97 0.00 2.89 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 0.00 174 G 9.31 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 0.00 0.00 0.00 175 V 7.27 4.32 2.18 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 1.02 0.00 0.00 0.96 0.00 0.00 176 T 8.18 5.28 4.53 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 1.33 0.00 0.00 177 V 8.35 3.65 2.34 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 1.00 0.00 0.00 0.99 0.00 0.00 178 R 8.58 3.98 0.00 2.27 2.02 0.00 3.14 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.42 0.00 179 D 8.64 4.38 0.00 2.67 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 0.00 180 S 8.28 4.31 0.00 4.05 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 0.00 181 L 7.98 4.59 0.00 2.01 1.81 1.14 0.50 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 0.00 182 K 7.63 3.79 0.00 1.79 1.83 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.39 7.81 183 K 7.92 4.04 0.00 1.78 1.81 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.49 7.81 184 A 7.99 4.33 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 0.00 185 L 7.79 4.17 0.00 1.68 1.66 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 *188 R 7.94 4.16 0.00 1.84 2.01 0.00 3.48 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 189 G 8.33 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 0.00 190 L 8.08 4.91 0.00 1.67 1.54 0.96 0.58 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 0.00 191 I 7.63 4.62 1.72 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.02 0.84 0.00 0.00 192 P 0.00 3.19 0.00 1.16 0.49 0.00 3.30 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 193 E 7.76 4.06 0.00 1.84 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 0.00 2.21 2.12 0.00 194 C 8.39 4.84 0.00 2.96 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 0.00 195 C 8.35 5.64 0.00 3.16 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 0.00 196 A 9.28 5.05 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 0.00 197 V 7.20 4.64 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 0.00 0.00 -0.67 0.00 0.00 0.65 0.00 0.00 198 Y 9.03 5.32 0.00 2.80 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 0.00 199 R 9.01 5.02 0.00 1.89 2.06 0.00 2.73 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 200 I 7.76 4.56 1.90 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.95 0.88 0.00 0.00 *205 K 8.54 4.11 0.00 1.40 1.34 0.00 1.14 0.00 0.00 1.33 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.18 7.81 206 K 8.72 4.83 0.00 1.74 1.70 0.00 1.54 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.39 7.81 207 P 0.00 4.77 0.00 1.94 2.00 0.00 3.75 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 1.98 2.01 0.00 208 I 7.85 4.55 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.39 0.85 0.00 0.00 209 G 8.37 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.71 4.28 0.00 3.45 3.22 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 0.00 211 D 8.06 4.98 0.00 2.72 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 0.00 212 T 7.82 3.92 4.28 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 1.27 0.00 0.00 213 D 8.83 4.84 0.00 2.90 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 0.00 214 I 9.33 3.83 1.93 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 1.60 1.34 0.99 0.00 0.00 215 S 8.48 4.06 0.00 3.89 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 0.00 216 W 8.01 4.37 0.00 3.39 3.29 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 0.00 217 L 7.90 4.63 0.00 1.85 1.71 0.95 0.96 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 0.00 218 T 7.25 4.15 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 1.33 0.00 0.00 219 G 8.98 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 0.00 0.00 0.00 220 E 8.32 4.44 0.00 2.00 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 2.43 2.49 0.00 221 E 8.70 4.95 0.00 2.07 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 2.55 2.45 0.00 222 L 9.09 5.06 0.00 1.60 1.63 0.92 0.80 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 0.00 223 H 9.49 5.52 0.00 3.18 3.29 0.00 5.75 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 0.00 224 V 9.06 5.01 2.23 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 1.05 0.00 0.00 1.09 0.00 0.00 225 E 9.42 4.98 0.00 2.19 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 2.29 2.34 0.00 226 V 8.42 4.28 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 0.82 0.00 0.00 0.99 0.00 0.00 227 L 8.76 4.35 0.00 1.66 1.64 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 228 E 8.77 3.97 0.00 1.98 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 2.36 2.28 0.00 229 N 8.49 4.61 0.00 2.70 2.77 0.00 0.00 6.74 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 0.00 230 V 7.71 4.41 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 0.91 0.00 0.00 0.95 0.00 0.00 231 P 0.00 4.33 0.00 2.08 1.99 0.00 3.88 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 232 L 8.36 3.95 0.00 1.75 1.62 0.92 0.84 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 * Residues marked with a * may have inaccurate shift predictions.