NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 74 G 3.9035 8.3544 109.7375 44.6931 0.0000 173.5554 75 K 4.0639 7.8583 121.6867 55.0070 33.0330 174.2839 76 K 4.4205 9.2367 126.5366 55.7689 34.6169 176.5002 77 N 5.0704 8.3265 119.2020 50.5064 38.3976 172.8724 78 P 4.3508 0.0000 0.0000 62.5120 32.0372 176.4415 79 P 4.3894 0.0000 0.0000 65.0477 31.4295 175.8901 80 Q 4.3188 7.4645 116.8881 55.1560 32.0878 173.4546 81 I 4.0195 8.0017 125.3738 60.5311 37.2389 175.2511 82 Y 4.4522 8.1278 123.3158 55.8081 39.7678 174.9212 83 P 4.2365 0.0000 0.0000 65.7350 31.4743 178.8818 84 W 4.6675 8.4829 113.1707 59.6399 27.7426 176.9026 85 M 3.1239 7.1553 119.7314 56.9683 31.4564 177.3194 86 K 4.2358 7.7770 120.7236 53.2618 32.7433 182.1061 87 R 4.2953 8.2262 117.5615 57.3553 30.6006 176.5387 88 V 4.2932 7.9074 115.7122 61.8982 32.3667 171.6753 *104 Q 3.9557 8.1656 117.7932 56.4908 29.2277 174.5390 105 R 4.3972 8.3430 122.1416 53.8229 31.0443 174.4448 106 T 3.8826 8.4608 114.7645 62.2859 68.9624 173.5227 107 S 4.6861 8.4319 118.7389 56.8231 64.2083 173.0105 108 Y 4.9459 8.1859 123.7044 57.6078 38.9444 176.2074 109 T 4.3607 8.9135 113.8714 61.1320 71.3177 176.0255 110 R 3.9455 8.6210 120.9183 59.8275 30.0533 178.5037 111 Y 4.0296 8.0128 118.3655 60.8305 38.8428 177.5790 112 Q 3.6615 8.1630 118.7408 59.3919 28.8646 179.2608 113 T 3.7169 8.1101 116.5011 66.6334 68.5110 176.0695 114 L 3.8859 8.2900 122.1849 58.3405 42.0549 178.8695 115 E 3.7042 8.0662 118.4300 59.3358 29.2946 179.1416 116 L 3.5756 7.5713 119.1528 57.8187 41.0091 179.2872 117 E 4.1984 8.3005 119.3332 59.2577 29.2975 178.8103 118 K 4.0665 7.9716 118.9721 59.4733 32.5917 178.4583 119 E 4.2354 8.6590 119.2821 59.5920 29.5775 178.9418 120 F 4.7511 8.8495 121.0534 61.7492 39.1258 175.9978 121 H 4.3154 7.9978 114.3823 57.4469 29.8507 175.9845 122 F 4.7057 8.4321 121.9213 59.4663 39.6945 174.9800 123 N 4.0128 7.2770 110.3942 52.0386 39.6275 175.4219 124 R 3.9003 8.6176 122.9709 57.7007 30.2990 176.1884 125 Y 4.7867 7.6876 114.9744 55.9119 41.4291 174.7210 126 L 4.7352 8.2898 121.8290 52.9972 44.7586 176.8527 127 T 4.4496 8.0002 111.9574 60.5221 71.3727 175.7029 128 R 3.8132 8.6203 122.5101 60.2024 29.8591 178.5192 129 R 3.9191 7.8991 117.8243 59.2024 30.3374 177.9110 130 R 3.8626 8.1683 118.3937 59.7174 30.0565 178.4817 131 R 3.8138 8.2703 118.5490 59.3941 30.0412 178.6976 132 I 3.6873 7.3793 119.2571 64.3214 37.2177 178.2850 133 E 4.0339 8.2914 118.5318 59.3929 29.1877 179.0037 134 I 3.7193 7.9248 119.4194 63.4819 38.1522 177.6981 135 A 3.9212 7.8742 121.6629 55.5434 17.8140 179.3879 136 H 4.2078 8.1689 114.5263 58.9359 28.5683 177.9301 137 A 4.1902 7.9738 121.2865 53.8979 18.1535 178.0650 138 L 4.5816 7.0914 115.3443 54.1090 42.3244 176.8139 139 S 3.7686 7.8436 111.7348 59.2167 60.9679 171.7626 140 L 4.7014 7.3608 119.2449 53.0738 43.7287 176.9164 141 T 4.3131 8.9437 112.4335 60.7215 71.3767 175.6296 142 E 3.8849 8.4534 120.2258 59.4630 29.6937 177.9152 143 R 3.9004 8.0862 118.1919 60.0655 30.0730 178.0007 144 Q 4.3499 8.1627 117.2279 59.3096 28.7037 179.4841 145 I 4.0524 7.5905 120.8817 63.8472 37.1531 178.1624 146 K 3.9798 8.4605 120.9605 59.7837 32.0392 178.8871 147 I 3.7504 8.4023 120.3785 64.2230 37.0539 178.2331 148 W 4.0208 8.5743 129.1619 60.5327 30.4835 178.0645 149 F 3.8110 8.7958 117.9372 60.0497 38.4314 177.3820 150 Q 3.9180 8.3392 119.4793 59.5268 28.8913 178.2640 151 N 4.1547 8.2377 117.5465 56.3215 38.5191 177.4294 152 R 3.1238 7.1389 119.8714 58.8316 28.9931 178.9311 153 R 4.0614 7.5813 118.0956 59.4085 30.1276 178.4778 154 M 4.4903 7.8287 118.4444 58.6397 31.7423 178.8553 155 K 4.0059 7.7261 118.4797 58.9742 32.3837 178.4476 156 W 4.2524 7.8870 128.2612 59.9115 30.7309 177.7310 157 K 4.0589 9.5201 119.0754 58.5705 32.0000 177.0509 158 K 4.0174 8.1554 122.4006 57.2631 32.7413 176.5676 159 E 3.8251 8.3965 113.3325 57.8494 26.8835 173.7005 160 H 3.9117 7.7025 115.2224 59.0808 28.2839 175.7445 161 K 3.9275 10.6140 128.2640 54.5276 31.4825 182.2058 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 74 G 8.35 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 75 K 7.86 4.06 0.00 1.79 1.71 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.59 7.81 76 K 9.24 4.42 0.00 1.80 1.74 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.43 7.81 77 N 8.33 5.07 0.00 2.68 2.74 0.00 0.00 7.01 8.02 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 78 P 0.00 4.35 0.00 2.54 2.30 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 79 P 0.00 4.39 0.00 2.26 2.28 0.00 3.93 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 2.17 2.06 0.00 80 Q 7.46 4.32 0.00 1.93 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 1.66 2.05 0.00 81 I 8.00 4.02 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.87 0.78 0.00 0.00 82 Y 8.13 4.45 0.00 3.12 3.05 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 83 P 0.00 4.24 0.00 2.31 2.19 0.00 3.89 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 84 W 8.48 4.67 0.00 3.56 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 85 M 7.16 3.12 0.00 1.56 1.88 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.53 0.00 86 K 7.78 4.24 0.00 1.72 1.60 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.28 7.81 87 R 8.23 4.30 0.00 1.78 1.91 0.00 3.38 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 88 V 7.91 4.29 2.11 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 0.70 0.00 0.00 0.95 0.00 0.00 *104 Q 8.17 3.96 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.98 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 105 R 8.34 4.40 0.00 1.73 1.85 0.00 3.23 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 106 T 8.46 3.88 4.34 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 1.26 0.00 0.00 107 S 8.43 4.69 0.00 3.85 3.82 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 0.00 108 Y 8.19 4.95 0.00 2.99 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 0.00 109 T 8.91 4.36 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 110 R 8.62 3.95 0.00 1.94 2.09 0.00 3.16 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 111 Y 8.01 4.03 0.00 3.03 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 0.00 112 Q 8.16 3.66 0.00 2.17 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 113 T 8.11 3.72 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 1.33 0.00 0.00 114 L 8.29 3.89 0.00 1.85 1.68 0.94 1.00 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 0.00 115 E 8.07 3.70 0.00 1.62 1.64 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 1.47 1.47 0.00 116 L 7.57 3.58 0.00 0.69 0.13 -0.53 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.30 4.20 0.00 2.30 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 0.00 2.41 2.52 0.00 118 K 7.97 4.07 0.00 1.98 1.94 0.00 1.83 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.50 7.81 119 E 8.66 4.24 0.00 2.33 2.44 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 2.35 2.54 0.00 120 F 8.85 4.75 0.00 3.12 3.39 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 0.00 121 H 8.00 4.32 0.00 3.28 3.56 0.00 5.99 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 F 8.43 4.71 0.00 2.93 3.38 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 0.00 123 N 7.28 4.01 0.00 2.90 2.45 0.00 0.00 6.91 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 R 8.62 3.90 0.00 1.56 1.66 0.00 2.21 0.00 0.00 2.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 125 Y 7.69 4.79 0.00 2.80 2.84 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 0.00 126 L 8.29 4.74 0.00 1.28 1.37 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.00 4.45 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 128 R 8.62 3.81 0.00 1.94 2.00 0.00 3.31 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 129 R 7.90 3.92 0.00 1.92 1.88 0.00 3.26 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 130 R 8.17 3.86 0.00 1.98 2.04 0.00 3.32 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 131 R 8.27 3.81 0.00 2.04 1.87 0.00 3.29 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 132 I 7.38 3.69 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.67 0.93 0.00 0.00 133 E 8.29 4.03 0.00 2.20 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 0.00 2.53 2.38 0.00 134 I 7.92 3.72 1.87 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 1.39 1.25 0.95 0.00 0.00 135 A 7.87 3.92 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 0.00 136 H 8.17 4.21 0.00 3.20 3.32 0.00 5.62 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 0.00 137 A 7.97 4.19 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 0.00 138 L 7.09 4.58 0.00 1.44 1.51 0.66 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 139 S 7.84 3.77 0.00 4.01 3.93 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 0.00 140 L 7.36 4.70 0.00 1.51 1.44 0.31 0.30 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 0.00 141 T 8.94 4.31 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 0.00 142 E 8.45 3.88 0.00 2.04 1.98 0.00 0.00 0.00 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 2.33 0.00 143 R 8.09 3.90 0.00 1.94 1.97 0.00 3.28 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 144 Q 8.16 4.35 0.00 2.37 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.60 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 145 I 7.59 4.05 2.05 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.79 1.00 0.00 0.00 146 K 8.46 3.98 0.00 1.94 2.05 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.53 7.81 147 I 8.40 3.75 2.00 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 1.46 0.76 0.96 0.00 0.00 148 W 8.57 4.02 0.00 3.75 3.49 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 0.00 149 F 8.80 3.81 0.00 3.55 3.16 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 0.00 150 Q 8.34 3.92 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 151 N 8.24 4.15 0.00 2.48 2.54 0.00 0.00 6.76 8.19 0.00 0.00 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 R 7.14 3.12 0.00 0.67 0.83 0.00 2.32 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 153 R 7.58 4.06 0.00 2.04 2.04 0.00 3.05 0.00 0.00 2.62 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 154 M 7.83 4.49 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.86 0.00 155 K 7.73 4.01 0.00 1.61 1.81 0.00 1.66 0.00 0.00 1.47 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.37 7.81 156 W 7.89 4.25 0.00 3.66 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 K 9.52 4.06 0.00 2.02 2.08 0.00 1.90 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.51 7.81 158 K 8.16 4.02 0.00 1.80 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.36 7.81 159 E 8.40 3.83 0.00 2.09 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 2.21 1.88 0.00 160 H 7.70 3.91 0.00 3.17 3.48 0.00 5.64 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 K 10.61 3.93 0.00 1.78 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.