NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 144 Q 4.1864 8.3444 121.7127 55.9350 30.2598 174.2630 145 D 4.4989 8.3063 123.5322 51.2845 42.7887 173.3734 146 P 4.3720 0.0000 0.0000 65.1515 32.7960 176.9871 147 L 4.6362 8.2718 117.4319 54.3960 41.6367 176.4073 148 S 4.2755 8.0681 116.3069 60.0374 63.0098 175.2209 149 G 3.9067 8.7538 111.4820 45.7305 0.0000 173.1734 150 L 4.5794 7.4991 120.0171 53.4888 42.9422 177.4989 151 T 4.1450 8.5585 114.1293 61.1965 70.8984 175.2595 152 D 4.3981 8.6373 121.0877 58.0535 40.6949 179.4615 153 Q 4.0532 7.9706 117.6328 59.0081 28.6927 178.5133 154 E 3.9655 7.9983 119.4292 59.1243 29.3774 179.6402 155 R 3.9467 8.1192 118.3870 59.4678 30.0848 179.0538 156 T 3.8537 7.8410 115.4568 66.4619 68.3954 176.1333 157 L 3.9571 8.1997 122.5351 58.2366 41.9296 178.6984 158 L 4.0855 8.2119 120.2574 58.4023 41.8199 179.3288 159 G 3.6434 8.1364 104.1766 47.5942 0.0000 175.2548 160 L 4.2490 8.3183 121.3524 57.1908 41.7631 179.1798 161 L 4.0542 8.3685 119.9219 57.8142 41.3866 179.4568 162 S 4.3371 7.7676 112.3139 60.3936 63.0868 175.2210 163 E 4.3936 7.7884 120.7408 56.0142 29.4356 176.8268 164 G 3.9040 7.8695 107.1792 45.8766 0.0000 174.0657 165 L 4.4181 7.6357 118.5797 54.1467 42.5220 177.5334 166 T 4.3175 8.7753 113.0685 61.0244 71.1292 175.6628 167 N 4.2981 8.5949 118.3620 56.4395 38.4828 177.5869 168 K 3.9238 7.9247 120.4613 59.5510 32.4895 178.8189 169 Q 3.9966 8.2195 118.4182 58.9219 28.3691 178.8320 170 I 3.7067 7.9627 120.1865 64.3066 37.4001 177.9223 171 A 4.0953 8.2771 121.9792 55.1894 17.9141 179.1871 172 D 4.1140 7.8554 115.6446 57.2969 41.3283 178.5521 173 R 4.1006 7.3532 115.4994 56.3562 31.1103 177.0986 *175 F 4.4167 7.9576 114.3945 57.8883 40.1918 174.5616 176 L 4.8584 7.9514 118.6889 52.0502 45.5558 177.7549 177 A 4.1413 8.1704 122.1439 51.8111 20.2426 178.3289 178 E 3.8112 8.7622 123.2474 59.4960 29.6076 179.5081 179 K 3.8743 7.9385 118.9262 59.6993 32.1934 178.7311 180 T 3.5652 7.5905 115.5340 66.6427 68.4072 176.8911 181 V 3.4951 7.6014 114.3029 63.9235 31.6229 178.3719 182 K 3.8184 8.2224 119.7360 59.7137 32.0367 178.1771 183 N 4.3142 8.1814 116.6179 56.9521 38.5573 176.9967 184 Y 4.4017 8.1646 117.9989 61.1475 37.8583 178.6736 185 V 3.7391 8.5587 119.5731 66.1706 31.4910 178.3589 186 S 4.1365 8.1026 114.5955 61.5587 62.6041 176.8444 187 R 3.9153 8.0972 120.8343 59.0681 29.8210 178.7816 188 L 3.9129 8.4249 120.4542 58.1963 41.8770 179.0008 189 L 3.9172 7.9687 117.4786 57.6356 41.8745 178.7816 190 A 4.1406 8.2381 121.0635 55.5904 18.0779 180.0081 191 K 3.9575 8.0476 115.1663 59.2370 32.1840 178.9715 192 L 4.1050 7.7165 117.3695 54.2125 43.1226 175.9097 193 G 3.4476 7.3810 106.7275 45.8832 0.0000 173.4445 *195 E 4.3709 7.7707 117.0383 55.8023 32.2194 177.0396 196 R 4.7179 8.3588 117.0126 53.2867 34.0559 176.1432 197 R 3.9083 8.7320 120.7190 60.0769 29.8948 179.0013 198 T 3.8940 7.9081 114.8410 66.7601 68.4444 176.1900 199 Q 4.0022 7.8922 119.6808 59.1304 28.7830 179.0535 200 A 4.0569 8.0184 120.8938 55.0895 18.5116 179.3925 201 A 3.9986 8.1959 119.4180 55.2528 18.3954 180.1079 202 V 3.5858 8.1238 117.0327 65.9524 31.5679 178.0381 203 F 4.1787 8.5599 120.3912 61.2837 39.2624 176.9828 204 A 3.7890 8.2882 120.3679 55.3393 17.9588 179.6399 205 T 3.7793 7.7060 113.0897 66.8695 68.8627 176.3067 206 E 4.0593 8.2349 120.3594 59.4628 29.2748 179.3285 207 L 3.8167 7.4721 117.7484 57.7266 41.7397 179.3440 208 K 4.1275 7.8983 116.0679 57.6438 32.0908 177.1056 209 R 4.1544 7.6444 124.6262 56.2179 30.0786 175.2126 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 144 Q 8.34 4.19 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 145 D 8.31 4.50 0.00 2.74 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.16 2.28 0.00 3.74 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 2.03 2.15 0.00 147 L 8.27 4.64 0.00 1.86 1.69 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 148 S 8.07 4.28 0.00 3.89 3.81 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 0.00 149 G 8.75 3.91 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 0.00 0.00 0.00 150 L 7.50 4.58 0.00 1.76 1.60 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 151 T 8.56 4.14 4.18 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 1.19 0.00 0.00 152 D 8.64 4.40 0.00 2.70 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 0.00 153 Q 7.97 4.05 0.00 1.94 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 154 E 8.00 3.97 0.00 2.23 1.96 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 2.21 2.14 0.00 155 R 8.12 3.95 0.00 2.04 1.99 0.00 3.13 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 156 T 7.84 3.85 4.43 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 1.25 0.00 0.00 157 L 8.20 3.96 0.00 1.96 1.84 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.21 4.09 0.00 1.98 1.92 1.08 1.32 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 0.00 159 G 8.14 3.64 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 0.00 0.00 0.00 160 L 8.32 4.25 0.00 1.83 1.73 0.94 0.88 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 0.00 161 L 8.37 4.05 0.00 1.87 1.75 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 162 S 7.77 4.34 0.00 3.98 4.01 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 0.00 163 E 7.79 4.39 0.00 2.14 2.02 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 2.52 2.46 0.00 164 G 7.87 3.90 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 0.00 0.00 0.00 165 L 7.64 4.42 0.00 1.66 1.61 0.92 0.94 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 0.00 166 T 8.78 4.32 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 1.21 0.00 0.00 167 N 8.59 4.30 0.00 2.74 2.90 0.00 0.00 6.44 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 0.00 168 K 7.92 3.92 0.00 1.89 1.77 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.50 1.10 7.81 169 Q 8.22 4.00 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 170 I 7.96 3.71 2.00 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 1.47 0.57 0.94 0.00 0.00 171 A 8.28 4.10 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 0.00 172 D 7.86 4.11 0.00 2.75 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 0.00 173 R 7.35 4.10 0.00 1.97 1.93 0.00 3.41 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 *175 F 7.96 4.42 0.00 3.09 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 0.00 176 L 7.95 4.86 0.00 1.55 1.44 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 177 A 8.17 4.14 1.23 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 0.00 0.00 178 E 8.76 3.81 0.00 2.01 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 2.35 2.35 0.00 179 K 7.94 3.87 0.00 1.92 1.74 0.00 1.89 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.51 1.10 7.81 180 T 7.59 3.57 4.16 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 0.48 0.00 0.00 181 V 7.60 3.50 2.06 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 0.82 0.00 0.00 1.00 0.00 0.00 182 K 8.22 3.82 0.00 1.78 1.96 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 183 N 8.18 4.31 0.00 2.89 2.94 0.00 0.00 7.13 7.12 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 0.00 184 Y 8.16 4.40 0.00 3.07 2.94 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 0.00 185 V 8.56 3.74 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 1.14 0.00 0.00 1.05 0.00 0.00 186 S 8.10 4.14 0.00 4.14 3.91 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 0.00 187 R 8.10 3.92 0.00 2.04 1.97 0.00 3.23 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 188 L 8.42 3.91 0.00 1.71 1.93 0.93 0.73 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 0.00 189 L 7.97 3.92 0.00 1.90 1.71 0.92 1.11 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 0.00 190 A 8.24 4.14 1.39 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 0.00 0.00 191 K 8.05 3.96 0.00 1.83 1.86 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.60 7.81 192 L 7.72 4.11 0.00 1.63 1.43 0.85 0.70 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 0.00 193 G 7.38 3.45 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 0.00 *195 E 7.77 4.37 0.00 1.99 2.06 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 2.20 2.33 0.00 196 R 8.36 4.72 0.00 1.76 1.76 0.00 3.30 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 197 R 8.73 3.91 0.00 1.88 1.95 0.00 3.20 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 198 T 7.91 3.89 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 1.23 0.00 0.00 199 Q 7.89 4.00 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 200 A 8.02 4.06 1.39 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 0.00 0.00 201 A 8.20 4.00 1.44 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 0.00 202 V 8.12 3.59 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 1.03 0.00 0.00 0.98 0.00 0.00 203 F 8.56 4.18 0.00 3.17 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 0.00 204 A 8.29 3.79 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 0.00 205 T 7.71 3.78 4.38 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 1.20 0.00 0.00 206 E 8.23 4.06 0.00 2.14 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 2.31 2.34 0.00 207 L 7.47 3.82 0.00 1.56 1.52 0.70 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 208 K 7.90 4.13 0.00 1.84 1.83 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.57 7.81 209 R 7.64 4.15 0.00 1.99 1.83 0.00 3.41 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.40 0.00 * Residues marked with a * may have inaccurate shift predictions.