NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 66 N 4.6503 8.4249 119.2052 53.1716 38.9752 172.8798 67 L 4.6496 7.6789 122.2564 49.5444 45.4904 175.4175 68 S 4.2686 9.3851 117.6218 58.6094 65.3640 175.1241 69 A 3.9702 8.4910 125.0093 55.6574 18.3088 180.0042 70 C 4.0967 8.0435 112.4796 61.4060 29.8042 175.1856 71 E 3.9352 8.5028 121.5569 59.6877 29.1011 179.5646 72 V 3.5994 7.9489 117.3835 66.0123 31.3740 177.7734 73 A 3.9833 8.2095 120.7410 55.2738 18.1978 179.8558 74 V 3.5155 7.8987 116.3448 66.3194 31.7999 178.0952 75 L 4.2228 7.9505 118.6205 58.1202 41.3419 179.1831 76 D 4.5206 8.1064 117.9533 56.2419 40.9194 178.3540 77 L 3.9830 7.5843 120.1299 58.5017 41.6964 179.3640 78 Y 4.0847 7.9409 116.0910 60.8719 37.7027 178.2034 79 E 4.0048 8.2952 120.4641 59.4149 29.6179 178.8425 80 Q 4.1530 8.7015 117.1865 58.0626 28.7288 177.7036 81 S 4.5547 7.7724 114.9058 56.9543 63.8785 173.6492 82 N 4.1768 8.2238 118.4880 54.8180 36.3870 174.7501 83 I 4.5094 7.7637 116.9248 59.3812 39.7876 176.5533 84 R 4.1115 8.5308 124.8373 55.8280 30.7357 175.9185 85 I 4.1134 7.9822 123.1335 58.8286 38.0664 174.0580 86 P 4.2120 0.0000 0.0000 62.9620 31.9544 177.4542 87 S 4.2334 8.3295 115.1699 60.7026 63.2723 176.2090 88 D 4.4182 7.9243 122.8215 57.5422 40.5507 178.4778 89 I 3.8646 7.4935 120.0101 64.4726 37.0735 178.3033 90 I 3.6985 7.9647 120.1621 64.9834 36.9145 178.4045 91 E 3.7270 8.1599 119.1133 59.3531 29.8067 179.1333 92 D 4.4272 8.1911 118.6778 56.7654 40.9815 178.2974 93 L 3.9806 7.7912 120.6581 57.8744 42.4238 178.6048 94 V 3.8173 7.8907 112.4237 64.4249 31.2386 179.0188 95 N 4.7514 7.5234 113.0199 53.2628 37.4199 175.9810 96 Q 4.3184 8.5255 113.8004 55.8447 33.4000 175.0381 97 R 3.5945 7.8966 116.5200 56.8384 27.7439 176.2466 98 L 4.1892 7.6279 116.8350 55.2370 42.4996 177.5544 99 Q 4.4484 8.6501 118.4202 56.0736 30.6473 176.5830 100 S 4.8325 8.2646 113.3026 56.2273 66.6101 174.7841 101 E 3.9691 8.5986 121.8753 59.8031 29.2271 179.1846 102 Q 3.8617 8.2103 118.8829 59.4964 28.8647 178.6223 103 E 3.9859 7.8965 117.8320 59.3343 29.6167 178.9028 104 V 3.6696 7.6061 117.8028 66.2772 31.4762 177.5331 105 L 4.0844 8.8943 120.4936 58.6218 41.9514 178.8837 106 N 4.4530 8.2348 116.0975 56.2845 38.4580 176.8766 107 Y 3.9522 8.4244 121.3783 60.7281 39.0392 177.8540 108 I 3.5424 7.9585 120.6577 64.5552 37.3421 178.0099 109 E 4.0216 8.6190 119.6106 60.1290 29.2432 179.7849 110 T 3.8825 7.8074 115.3176 66.5750 68.4240 176.6563 111 Q 4.0115 7.5888 119.4944 58.4111 28.7664 178.4138 112 R 4.0480 8.0616 119.2890 59.8945 30.1813 179.2064 113 T 3.8986 7.9236 115.0616 66.4799 68.2763 176.1302 114 Y 3.7999 7.7168 121.3623 60.5681 38.8976 178.0881 115 W 4.4418 8.4797 119.0110 58.5269 29.0615 178.7178 116 K 3.9903 8.1018 119.6913 59.5293 31.8474 178.5065 117 L 4.0662 7.8029 119.2820 57.4809 41.4424 178.9633 118 E 3.7027 8.1446 119.6572 59.4607 29.3911 178.7819 119 N 4.4371 8.0282 114.4236 55.7537 38.6233 176.5735 120 Q 4.1631 7.5358 120.0422 56.6678 29.5348 176.1945 121 K 3.9345 7.4830 120.0037 56.5435 32.5621 176.1941 122 K 4.2536 8.4350 124.8646 55.3470 33.0899 175.7398 123 L 4.2855 8.2873 128.0383 54.4332 42.9124 175.2112 124 Y 4.1852 8.5740 127.0237 57.0627 39.3391 174.5338 125 R 4.2352 7.7370 126.6921 54.6287 30.7879 176.3599 126 G 3.8082 8.4304 111.8482 46.2157 0.0000 172.7547 127 S 4.3909 7.4557 112.6751 58.7237 65.3876 173.6006 128 L 3.2343 7.7955 119.9967 57.7429 42.1603 175.3187 *129 K 4.1330 7.8661 123.8987 54.7723 32.3453 180.2766 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 66 N 8.42 4.65 0.00 2.70 2.83 0.00 0.00 6.82 6.89 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 67 L 7.68 4.65 0.00 1.72 1.76 0.94 0.68 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 68 S 9.39 4.27 0.00 4.01 4.29 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 69 A 8.49 3.97 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 70 C 8.04 4.10 0.00 3.18 3.21 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 0.00 71 E 8.50 3.94 0.00 2.19 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 0.00 2.37 2.37 0.00 72 V 7.95 3.60 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 1.02 0.00 0.00 1.01 0.00 0.00 73 A 8.21 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.90 3.52 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 1.18 0.00 0.00 1.01 0.00 0.00 75 L 7.95 4.22 0.00 1.82 1.81 0.96 1.18 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 76 D 8.11 4.52 0.00 2.72 2.72 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 77 L 7.58 3.98 0.00 1.68 1.36 0.82 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 7.94 4.08 0.00 3.07 2.99 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 0.00 0.00 0.00 79 E 8.30 4.00 0.00 2.22 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 0.00 2.33 2.38 0.00 80 Q 8.70 4.15 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 81 S 7.77 4.55 0.00 3.85 3.89 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 0.00 0.00 0.00 82 N 8.22 4.18 0.00 2.82 2.86 0.00 0.00 6.70 7.00 0.00 0.00 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 I 7.76 4.51 2.11 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.97 0.00 0.00 84 R 8.53 4.11 0.00 1.76 1.81 0.00 3.17 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 85 I 7.98 4.11 1.77 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.51 0.79 0.00 0.00 86 P 0.00 4.21 0.00 1.77 1.59 0.00 3.45 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.88 0.00 87 S 8.33 4.23 0.00 4.00 4.06 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 0.00 0.00 0.00 88 D 7.92 4.42 0.00 2.84 2.99 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 0.00 0.00 0.00 89 I 7.49 3.86 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.75 0.94 0.00 0.00 90 I 7.96 3.70 2.00 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 1.67 0.97 0.92 0.00 0.00 91 E 8.16 3.73 0.00 2.38 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 2.33 2.47 0.00 92 D 8.19 4.43 0.00 2.90 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 93 L 7.79 3.98 0.00 1.91 1.91 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.89 3.82 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 0.75 0.00 0.00 0.98 0.00 0.00 95 N 7.52 4.75 0.00 2.78 2.79 0.00 0.00 6.86 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 96 Q 8.53 4.32 0.00 1.71 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.88 6.62 0.00 0.00 0.00 0.00 0.00 2.10 1.79 0.00 97 R 7.90 3.59 0.00 1.83 2.00 0.00 3.35 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 98 L 7.63 4.19 0.00 1.62 1.59 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.65 4.45 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 100 S 8.26 4.83 0.00 4.09 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 0.00 101 E 8.60 3.97 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 2.42 2.39 0.00 102 Q 8.21 3.86 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 103 E 7.90 3.99 0.00 2.13 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 2.35 2.33 0.00 104 V 7.61 3.67 2.29 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 1.11 0.00 0.00 1.04 0.00 0.00 105 L 8.89 4.08 0.00 1.74 1.71 0.87 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.23 4.45 0.00 2.91 2.90 0.00 0.00 6.72 7.49 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 0.00 107 Y 8.42 3.95 0.00 3.19 3.24 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 0.00 108 I 7.96 3.54 2.16 0.00 0.00 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 1.64 1.04 0.72 0.00 0.00 109 E 8.62 4.02 0.00 2.18 2.05 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 2.56 2.58 0.00 110 T 7.81 3.88 4.09 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 1.18 0.00 0.00 111 Q 7.59 4.01 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.02 2.38 0.00 112 R 8.06 4.05 0.00 2.02 2.02 0.00 3.00 0.00 0.00 2.77 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.87 0.00 113 T 7.92 3.90 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 1.21 0.00 0.00 114 Y 7.72 3.80 0.00 2.82 2.98 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 0.00 0.00 0.00 115 W 8.48 4.44 0.00 3.50 3.18 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 0.00 116 K 8.10 3.99 0.00 1.79 1.93 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 117 L 7.80 4.07 0.00 1.98 1.47 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.14 3.70 0.00 1.49 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 1.71 2.43 0.00 119 N 8.03 4.44 0.00 3.03 2.93 0.00 0.00 7.08 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 7.54 4.16 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 121 K 7.48 3.93 0.00 1.96 1.74 0.00 1.81 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.44 1.47 7.81 122 K 8.44 4.25 0.00 1.72 1.72 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.43 7.81 123 L 8.29 4.29 0.00 1.65 1.55 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 124 Y 8.57 4.19 0.00 3.00 2.95 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 0.00 0.00 0.00 125 R 7.74 4.24 0.00 1.58 1.70 0.00 3.15 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 126 G 8.43 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 0.00 0.00 0.00 127 S 7.46 4.39 0.00 3.81 3.80 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 0.00 128 L 7.80 3.23 0.00 1.58 1.72 0.88 0.50 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 *129 K 7.87 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.