NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.4571 8.1627 118.3277 55.2628 33.2148 173.6045 102 Q 5.0008 8.5391 121.2260 52.6676 31.1236 172.7760 103 I 4.5653 8.5574 118.5082 59.4359 42.1432 172.9277 104 F 5.1355 9.1562 122.1620 55.9508 41.6344 174.9286 105 V 4.8051 8.8896 122.9260 61.1548 33.3143 174.4345 106 K 5.3878 9.3804 127.3789 54.8755 35.9484 175.6607 107 T 5.0810 8.2589 112.9286 59.4203 71.4391 175.3650 108 L 4.3172 8.6196 120.7871 56.1633 41.8485 177.9342 109 T 4.2653 7.7646 108.1038 60.8681 69.6384 174.7679 110 G 3.8585 7.5933 110.3230 45.4126 0.0000 174.4168 111 K 4.1221 8.1981 122.9224 56.9947 33.1839 175.8182 112 T 5.3300 8.5594 123.4200 61.7987 71.6862 173.1709 113 I 4.7889 8.8372 118.8005 59.4442 41.4610 174.2949 114 T 4.9397 8.3863 118.7381 61.9649 71.4884 173.8081 115 L 4.6628 8.1745 123.0579 53.1084 46.5454 174.9516 116 E 4.6444 8.7386 124.5785 55.8223 30.2751 175.5473 117 V 4.7347 8.9195 119.8128 60.0013 36.5337 174.2291 118 E 4.8061 9.2229 119.4809 54.0864 33.2674 176.1507 119 P 4.3272 0.0000 0.0000 65.0761 31.6210 178.4240 120 S 4.4228 7.8727 111.0748 59.3061 63.9492 174.3936 121 D 4.4550 7.8758 122.7708 54.6097 41.3388 175.9072 122 T 4.8110 8.1290 113.0810 60.8153 71.7890 176.0350 123 I 3.7392 8.3224 123.0773 64.5125 37.0600 178.6885 124 E 3.9543 8.0691 119.0277 59.5848 29.3569 179.0602 125 N 4.3285 7.9534 116.0724 56.3567 38.5136 177.6028 126 V 3.5829 7.8722 119.5295 65.9463 31.6220 178.1859 127 K 3.9151 8.3314 118.1699 59.3934 31.8850 179.1502 128 A 4.0098 8.0170 120.9973 55.1402 18.2665 179.8553 129 K 3.9481 8.1854 116.9979 59.7020 32.1135 179.7153 130 I 3.7230 8.0760 120.2695 64.1529 36.9372 178.3112 131 Q 4.1797 7.9835 122.0993 58.6728 28.6552 177.9140 132 D 4.3893 7.8775 119.1792 57.1175 40.9780 178.2449 133 K 4.1891 8.1358 118.9760 58.1126 32.5537 176.9650 134 E 4.4997 8.2023 115.7151 54.7334 31.3715 177.2273 135 G 3.8312 8.6603 107.0285 45.5040 0.0000 173.7973 136 I 3.9595 7.1787 121.7028 59.8257 37.7826 173.9527 137 P 4.4226 0.0000 0.0000 61.9091 32.0669 175.6243 138 P 4.2944 0.0000 0.0000 65.8174 31.5624 178.3684 139 D 4.3697 8.1593 116.8474 57.2623 40.9068 177.0874 140 Q 4.7309 8.0573 115.2956 55.3899 29.0259 174.9996 141 Q 4.8278 7.6534 117.4482 54.9573 31.0828 176.3107 142 R 4.4109 8.1966 119.6858 55.4527 34.1228 174.1097 143 L 4.9064 8.5136 124.9581 53.9543 43.6575 176.1115 144 I 4.8636 8.9718 123.8003 59.4585 41.0333 174.4215 145 F 5.1060 8.2875 127.3005 56.7391 41.9998 173.8666 146 A 3.2339 8.9036 130.0805 53.3722 15.9704 176.6428 147 G 3.4606 7.9015 102.7394 47.3300 0.0000 174.1247 *149 Q 4.0984 7.5125 117.3003 55.9641 30.6103 174.9792 150 L 4.4891 8.8348 125.6352 53.4469 43.5128 175.7211 151 E 4.5487 9.0210 122.6042 54.9179 31.0509 176.9225 152 D 4.4206 9.2295 124.5064 57.6521 41.1723 179.4452 153 G 3.6379 8.0363 106.5272 48.0123 0.0000 174.1162 154 R 4.2042 7.8345 119.2911 55.8335 30.7609 175.7651 155 T 5.3825 8.3560 109.5922 59.3581 70.8366 175.9153 156 L 3.9371 8.2380 120.5152 57.6629 42.1516 180.1724 157 S 4.1225 8.2104 115.2724 61.6561 62.9774 176.1331 158 D 4.2279 7.5969 118.0547 57.5825 40.5110 177.1547 159 Y 4.4735 7.4489 113.2251 57.3699 37.9567 174.7049 160 N 4.1303 8.1347 117.5473 54.6047 37.8034 174.5693 161 I 3.7706 7.9292 118.9298 60.1328 36.5982 176.1799 162 Q 4.4517 8.2346 125.6220 53.7976 30.5139 175.4784 163 R 4.0987 8.1773 115.4702 57.8642 29.7454 176.4777 164 E 4.0981 9.8633 120.2031 57.1749 27.7713 174.8779 165 S 4.6003 7.7932 115.4757 58.9797 64.3220 173.1086 166 T 5.1639 8.6611 118.4596 62.0169 70.5020 173.7664 167 L 5.0442 9.3846 126.4788 53.3877 44.8251 175.0272 168 H 5.3240 9.3682 120.3678 54.2666 31.3452 173.5309 169 L 5.1637 9.8853 125.2742 53.4574 44.4787 175.4058 170 V 4.7736 8.4827 118.6446 59.5653 35.3645 174.9483 171 L 4.7930 8.5419 124.1535 54.1182 43.3363 176.6117 172 R 4.5102 9.0162 121.8819 54.8760 32.9743 174.1085 173 L 4.7839 8.2541 126.0102 52.7188 45.6951 176.3378 174 R 3.9057 8.5650 122.7840 57.9287 30.5641 175.7495 175 G 4.1682 9.3162 110.1949 44.8215 0.0000 173.5692 176 G 3.7141 7.4641 112.1071 45.5109 0.0000 172.5268 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 101 M 8.16 4.46 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 102 Q 8.54 5.00 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 103 I 8.56 4.57 1.94 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 1.39 0.43 0.84 0.00 0.00 104 F 9.16 5.14 0.00 3.03 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 0.00 105 V 8.89 4.81 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 0.99 0.00 0.00 0.92 0.00 0.00 106 K 9.38 5.39 0.00 1.59 1.66 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.36 7.81 107 T 8.26 5.08 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 1.23 0.00 0.00 108 L 8.62 4.32 0.00 1.67 1.75 0.90 0.84 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 0.00 109 T 7.76 4.27 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 0.00 110 G 7.59 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 0.00 0.00 0.00 111 K 8.20 4.12 0.00 1.95 1.72 0.00 1.47 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.49 7.81 112 T 8.56 5.33 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 1.37 0.00 0.00 113 I 8.84 4.79 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.26 0.92 0.00 0.00 114 T 8.39 4.94 4.13 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 0.00 0.00 1.04 0.00 0.00 115 L 8.17 4.66 0.00 1.48 1.42 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.74 4.64 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 117 V 8.92 4.73 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 0.69 0.00 0.00 0.95 0.00 0.00 118 E 9.22 4.81 0.00 1.81 1.76 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 2.19 2.38 0.00 119 P 0.00 4.33 0.00 2.16 2.09 0.00 3.57 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 2.10 2.06 0.00 120 S 7.87 4.42 0.00 3.97 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 0.00 121 D 7.88 4.45 0.00 2.93 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 0.00 122 T 8.13 4.81 4.44 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 1.27 0.00 0.00 123 I 8.32 3.74 2.01 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 1.53 0.85 0.90 0.00 0.00 124 E 8.07 3.95 0.00 2.14 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 2.33 2.23 0.00 125 N 7.95 4.33 0.00 2.98 2.86 0.00 0.00 6.72 7.15 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 0.00 126 V 7.87 3.58 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 1.08 0.00 0.00 0.93 0.00 0.00 127 K 8.33 3.92 0.00 2.06 1.84 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.59 7.81 128 A 8.02 4.01 1.34 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 0.00 129 K 8.19 3.95 0.00 1.98 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.62 7.81 130 I 8.08 3.72 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.89 0.98 0.00 0.00 131 Q 7.98 4.18 0.00 2.20 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 132 D 7.88 4.39 0.00 2.83 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 0.00 133 K 8.14 4.19 0.00 1.73 1.82 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.46 7.81 134 E 8.20 4.50 0.00 2.18 1.89 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 2.21 2.36 0.00 135 G 8.66 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 0.00 136 I 7.18 3.96 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.28 0.91 0.00 0.00 137 P 0.00 4.42 0.00 2.16 2.04 0.00 3.75 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 138 P 0.00 4.29 0.00 2.17 2.11 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 139 D 8.16 4.37 0.00 2.64 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 0.00 140 Q 8.06 4.73 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.77 0.00 0.00 0.00 0.00 0.00 2.46 2.28 0.00 141 Q 7.65 4.83 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 142 R 8.20 4.41 0.00 1.87 1.81 0.00 3.28 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 143 L 8.51 4.91 0.00 1.55 1.53 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.97 4.86 2.02 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 1.11 0.68 0.92 0.00 0.00 145 F 8.29 5.11 0.00 2.77 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 0.00 146 A 8.90 3.23 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.90 3.46 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 0.00 *149 Q 7.51 4.10 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.60 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 150 L 8.83 4.49 0.00 1.41 1.26 0.67 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 151 E 9.02 4.55 0.00 2.12 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 2.32 2.37 0.00 152 D 9.23 4.42 0.00 2.80 2.77 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 0.00 153 G 8.04 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 0.00 154 R 7.83 4.20 0.00 1.95 1.84 0.00 2.96 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 155 T 8.36 5.38 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 156 L 8.24 3.94 0.00 1.71 1.70 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 157 S 8.21 4.12 0.00 3.90 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 0.00 158 D 7.60 4.23 0.00 2.60 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 0.00 159 Y 7.45 4.47 0.00 2.99 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 0.00 160 N 8.13 4.13 0.00 2.90 3.06 0.00 0.00 7.11 8.79 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 0.00 161 I 7.93 3.77 1.82 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.38 0.55 0.00 0.00 162 Q 8.23 4.45 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.09 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 163 R 8.18 4.10 0.00 1.91 1.94 0.00 3.13 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 164 E 9.86 4.10 0.00 2.13 2.42 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 2.29 2.52 0.00 165 S 7.79 4.60 0.00 3.71 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 0.00 166 T 8.66 5.16 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 1.14 0.00 0.00 167 L 9.38 5.04 0.00 1.71 1.54 0.61 1.06 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 0.00 168 H 9.37 5.32 0.00 3.05 3.22 0.00 5.58 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 0.00 169 L 9.89 5.16 0.00 1.77 1.65 0.96 0.81 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 0.00 170 V 8.48 4.77 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 0.87 0.00 0.00 0.97 0.00 0.00 171 L 8.54 4.79 0.00 1.53 1.59 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 172 R 9.02 4.51 0.00 1.82 1.75 0.00 3.06 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 173 L 8.25 4.78 0.00 1.68 1.48 0.92 0.95 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 0.00 174 R 8.57 3.91 0.00 1.80 1.88 0.00 3.21 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 175 G 9.32 4.17 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 0.00 176 G 7.46 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.