NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 105 G 3.9585 8.2133 109.7370 45.8795 0.0000 175.7841 106 S 4.1382 7.7030 116.1894 58.5462 62.9559 173.1132 107 E 3.9952 8.1600 122.7919 59.1114 30.0146 177.5193 108 E 3.9547 8.0821 118.8659 59.4429 29.6999 178.6947 109 S 4.1497 7.9924 114.7654 61.4672 62.8393 176.5313 110 L 3.9622 7.5586 121.8747 58.0210 41.8695 179.1589 111 K 4.0109 8.2038 118.5595 59.5089 31.9415 178.8804 112 H 4.1832 8.6361 118.6383 59.3965 30.0290 177.1438 113 A 3.9768 8.2138 122.7094 55.6255 18.0942 179.7824 114 T 3.9056 8.1347 114.2410 66.4367 68.4916 177.0780 115 R 3.8835 8.0810 120.8057 59.4262 30.0825 178.6002 116 I 3.7043 7.7193 119.4896 64.4581 37.1714 178.2585 117 I 3.6582 7.5348 119.9758 64.7779 36.9372 177.9117 118 D 4.4335 8.4531 119.8144 57.8650 40.6859 179.1847 119 E 3.9865 8.3488 118.7197 59.2379 29.5301 179.5937 120 V 3.6013 7.5676 118.0566 66.0206 31.6572 178.3022 121 V 3.7064 7.7744 117.9652 66.0895 31.4661 177.8633 122 S 4.1146 8.4756 113.3210 61.3140 62.2175 176.1248 123 K 3.9940 8.2493 122.4078 59.3653 31.9548 178.6168 124 F 4.3163 8.2538 120.8181 61.3156 39.2508 177.0883 125 L 3.7297 8.1152 118.4665 57.2748 41.3180 179.1363 126 D 4.2871 7.8489 119.1383 57.3255 40.6842 178.4165 127 D 4.2820 8.0511 119.5075 57.1320 40.7841 178.5801 128 L 3.8353 7.5412 121.1054 57.8744 41.9284 179.1888 129 G 3.5888 8.0018 105.8572 47.8819 0.0000 175.2104 130 N 4.3602 8.6350 120.7202 55.5778 38.9634 176.9701 131 A 3.9445 8.0911 122.5273 54.9358 18.5284 179.5584 132 K 3.8401 8.4549 118.8405 59.6861 32.3937 179.2479 133 S 4.1429 8.3201 114.8605 61.7060 62.9038 175.9317 134 H 4.3691 8.3021 121.8335 58.8703 29.5498 177.2398 135 L 3.9895 7.8181 120.9537 57.7053 41.4593 179.1488 136 M 4.2479 8.1438 118.9482 57.8667 31.4920 178.7892 137 S 4.3411 7.8300 115.7946 60.5540 63.2360 176.5510 138 L 3.8671 7.5423 121.3568 57.5218 41.5141 178.5434 139 Y 4.3027 8.1033 119.9288 60.6435 38.9229 177.9142 140 S 4.1380 8.4420 114.8147 61.1079 62.7674 176.2806 141 A 4.1655 7.5927 123.5217 54.9533 18.1098 178.5283 142 C 4.1833 7.7200 115.2045 62.7612 28.5061 175.3977 143 S 4.0136 7.2991 112.1105 60.0062 62.8147 174.1066 *152 D 4.5993 7.2725 120.6140 53.8240 42.8688 176.6081 153 Q 4.0415 8.2030 116.4608 59.3398 28.8684 179.2987 154 K 4.0476 8.0689 119.7870 59.2463 32.3198 178.5073 155 F 4.4379 8.2182 120.9476 61.0633 39.5250 177.2349 156 Q 3.9534 8.6784 117.8097 59.2814 28.1932 178.6564 157 S 4.1451 7.5862 115.5441 61.1896 62.6403 176.4202 158 I 3.7639 7.0237 123.1210 64.2819 36.8784 178.4911 159 V 3.3779 7.3966 119.0227 65.9995 31.0277 178.0337 160 I 3.8182 7.5343 118.7255 64.1733 36.9777 177.4008 161 G 3.8375 7.4466 104.5250 46.1133 0.0000 172.7998 162 C 4.6304 7.5130 117.0000 57.5084 30.2854 174.3653 163 A 4.1746 8.1609 123.8981 51.4877 20.0696 178.3562 164 L 3.8369 8.5455 123.9785 58.8173 42.0045 179.7537 165 E 4.0015 8.2205 117.3228 59.4175 29.3471 178.8820 166 D 4.4509 7.9149 118.5072 57.0503 41.0906 178.5420 167 Q 4.0190 8.1969 118.8979 58.7907 28.5471 178.9450 168 K 4.0717 8.1749 119.7136 59.3031 32.2456 179.6080 169 K 4.0275 7.8939 118.4890 59.2075 31.9966 179.6481 170 I 3.8075 7.9372 120.2804 64.3925 37.0763 178.5352 171 K 4.1977 8.1221 119.3333 59.5940 31.8259 179.4337 172 R 4.8016 8.3846 120.6659 59.1093 29.9869 178.5903 173 R 3.9358 8.0730 118.1765 59.1095 29.9409 178.6109 174 L 3.9891 7.8678 118.7482 57.7765 41.6801 179.1465 175 E 3.6597 8.3953 118.6842 59.4819 29.2573 179.6020 176 T 3.8186 8.2069 116.0945 66.7706 68.5067 176.8187 177 L 3.9706 8.0497 120.8302 57.6588 41.5606 179.6236 178 L 3.9273 8.0950 119.2897 57.5008 41.5394 179.7192 179 R 3.8550 7.9251 118.1454 59.4571 30.1769 178.8848 180 N 4.3681 8.3384 116.3747 56.2465 38.4359 177.3270 181 I 3.7791 8.0346 120.3884 63.8485 38.0578 177.4343 182 D 4.3055 8.1409 119.1075 57.1627 40.9773 177.8530 183 N 4.4413 7.9936 116.5494 55.8564 38.3189 177.6866 184 S 4.1883 7.6978 116.1095 61.4598 63.2374 175.5371 185 D 4.4129 8.2308 120.8035 57.5238 40.7609 178.2681 186 K 3.8524 8.1322 119.1045 59.5461 32.1611 178.2987 187 A 4.3824 7.6121 119.7697 53.6740 18.5151 177.3473 188 I 4.0751 7.6372 118.2177 60.3926 36.3201 176.2070 189 K 4.1812 8.4136 123.8409 56.4706 32.0398 177.3203 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 105 G 8.21 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 0.00 0.00 0.00 106 S 7.70 4.14 0.00 3.96 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 0.00 107 E 8.16 4.00 0.00 2.08 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 2.37 2.42 0.00 108 E 8.08 3.95 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 109 S 7.99 4.15 0.00 3.94 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 0.00 110 L 7.56 3.96 0.00 1.90 1.88 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.20 4.01 0.00 2.01 1.85 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.74 7.81 112 H 8.64 4.18 0.00 3.42 3.42 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.21 3.98 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 0.00 114 T 8.13 3.91 4.45 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 1.22 0.00 0.00 115 R 8.08 3.88 0.00 2.07 2.18 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.69 0.00 116 I 7.72 3.70 1.99 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.34 0.91 0.00 0.00 117 I 7.53 3.66 2.01 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 1.52 0.94 0.91 0.00 0.00 118 D 8.45 4.43 0.00 2.90 2.76 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 0.00 119 E 8.35 3.99 0.00 2.24 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 2.34 2.42 0.00 120 V 7.57 3.60 2.26 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 1.00 0.00 0.00 0.94 0.00 0.00 121 V 7.77 3.71 2.25 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 1.02 0.00 0.00 1.02 0.00 0.00 122 S 8.48 4.11 0.00 3.98 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 8.25 3.99 0.00 2.03 1.85 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.61 7.81 124 F 8.25 4.32 0.00 3.20 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 0.00 125 L 8.12 3.73 0.00 1.82 1.60 0.93 0.85 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 0.00 126 D 7.85 4.29 0.00 2.86 2.67 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 0.00 127 D 8.05 4.28 0.00 2.78 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 0.00 128 L 7.54 3.84 0.00 1.17 1.48 0.72 0.92 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 0.00 129 G 8.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.64 4.36 0.00 2.73 2.92 0.00 0.00 6.68 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 A 8.09 3.94 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 0.00 132 K 8.45 3.84 0.00 1.78 1.95 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.39 7.81 133 S 8.32 4.14 0.00 4.06 4.14 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 0.00 0.00 0.00 134 H 8.30 4.37 0.00 3.36 3.39 0.00 5.60 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.82 3.99 0.00 1.88 1.63 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 136 M 8.14 4.25 0.00 2.10 2.31 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 137 S 7.83 4.34 0.00 4.11 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 0.00 138 L 7.54 3.87 0.00 1.54 0.95 0.44 0.41 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 0.00 139 Y 8.10 4.30 0.00 3.16 3.13 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 0.00 140 S 8.44 4.14 0.00 4.12 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 0.00 141 A 7.59 4.17 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 142 C 7.72 4.18 0.00 2.89 2.90 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 0.00 143 S 7.30 4.01 0.00 3.84 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 *152 D 7.27 4.60 0.00 2.84 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 0.00 153 Q 8.20 4.04 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 154 K 8.07 4.05 0.00 1.86 1.88 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.53 7.81 155 F 8.22 4.44 0.00 3.16 3.20 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 0.00 0.00 0.00 156 Q 8.68 3.95 0.00 2.28 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.60 2.39 0.00 157 S 7.59 4.15 0.00 3.88 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 0.00 158 I 7.02 3.76 1.76 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 1.35 1.03 0.75 0.00 0.00 159 V 7.40 3.38 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 0.93 0.00 0.00 0.32 0.00 0.00 160 I 7.53 3.82 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.88 0.88 0.00 0.00 161 G 7.45 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 C 7.51 4.63 0.00 3.17 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.16 4.17 1.26 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 0.00 0.00 164 L 8.55 3.84 0.00 1.71 1.70 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.22 4.00 0.00 2.01 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 2.40 2.35 0.00 166 D 7.91 4.45 0.00 2.90 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 0.00 167 Q 8.20 4.02 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 168 K 8.17 4.07 0.00 1.97 1.87 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.61 7.81 169 K 7.89 4.03 0.00 1.97 1.88 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.69 7.81 170 I 7.94 3.81 2.08 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.28 1.14 0.00 0.00 171 K 8.12 4.20 0.00 1.90 2.03 0.00 1.45 0.00 0.00 1.43 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.61 7.81 172 R 8.38 4.80 0.00 1.99 1.96 0.00 3.16 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 173 R 8.07 3.94 0.00 2.07 1.96 0.00 3.17 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 174 L 7.87 3.99 0.00 2.18 1.74 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 175 E 8.40 3.66 0.00 2.10 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 2.21 2.71 0.00 176 T 8.21 3.82 4.40 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 1.20 0.00 0.00 177 L 8.05 3.97 0.00 1.77 1.67 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 178 L 8.09 3.93 0.00 1.65 1.58 0.54 0.77 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 0.00 179 R 7.93 3.85 0.00 2.07 1.95 0.00 3.10 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 180 N 8.34 4.37 0.00 2.93 2.86 0.00 0.00 6.74 7.67 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 0.00 181 I 8.03 3.78 2.05 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 1.38 1.58 0.94 0.00 0.00 182 D 8.14 4.31 0.00 2.92 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 0.00 183 N 7.99 4.44 0.00 2.95 2.85 0.00 0.00 6.94 7.32 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 0.00 184 S 7.70 4.19 0.00 4.03 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.23 4.41 0.00 2.82 2.82 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 0.00 0.00 0.00 186 K 8.13 3.85 0.00 1.83 2.07 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.23 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.48 7.81 187 A 7.61 4.38 1.40 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 0.00 0.00 188 I 7.64 4.08 2.06 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 1.65 1.17 0.99 0.00 0.00 189 K 8.41 4.18 0.00 1.73 1.72 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.