NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 71 P 4.6518 0.0000 0.0000 62.2737 32.8040 175.5208 72 V 3.5499 8.6599 126.6273 61.2643 31.7543 171.5354 73 E 4.6013 9.4533 130.1654 54.5816 30.5194 174.7443 74 L 4.4024 8.1432 126.9552 54.7771 42.4208 176.8686 75 H 4.7987 9.8944 120.0782 56.2795 31.1515 173.7439 76 S 4.8047 7.5795 111.3565 56.8430 65.4530 174.9881 77 F 4.2232 8.6492 121.0727 60.8305 38.4077 176.4046 78 E 3.7985 7.9445 117.7955 58.9190 29.1136 178.0143 79 D 4.3993 7.8510 117.7331 55.2345 40.8530 177.8356 80 A 3.4396 7.1514 122.4181 55.0804 17.9998 179.7045 81 Q 3.8583 7.2932 115.7758 58.7011 28.5629 179.0543 82 V 3.5391 7.7252 119.7477 65.9118 31.5501 178.1138 83 I 3.7906 7.6108 119.1309 64.3491 36.9945 178.3056 84 G 3.9858 8.5177 106.9914 47.9550 0.0000 175.7034 85 G 3.7001 8.6434 108.6516 47.4027 0.0000 175.6093 86 A 4.0220 7.8736 123.2042 54.8676 18.4766 179.4956 87 F 4.7000 8.4745 120.6965 61.0695 39.2473 177.3298 88 R 3.8966 8.4238 117.7881 59.0854 29.9204 177.2717 89 D 4.6995 7.5606 115.8755 54.2441 40.8571 176.9873 90 G 3.7977 7.7682 107.8716 45.1514 0.0000 172.8971 91 D 5.0480 7.9328 119.2448 52.0855 43.1601 176.0009 92 A 4.7327 8.6171 124.3870 52.0794 19.6458 176.9514 93 V 4.6472 8.9940 120.5555 61.0111 35.3642 174.4789 94 V 4.9139 8.6208 126.9984 59.7818 34.0675 174.3388 95 F 5.5153 8.3897 119.9763 55.2243 41.5405 174.2610 96 D 5.8500 8.7723 121.1198 52.5119 43.6458 176.2984 *98 S 4.4302 8.5898 112.7531 58.6333 64.5162 174.8605 99 L 4.4182 7.8774 116.5201 54.7120 41.7390 176.3003 100 L 4.7297 7.4604 118.9653 53.2677 43.3959 176.9197 101 S 4.4836 8.9166 117.1164 57.6717 65.3923 175.4393 102 R 3.8501 8.4113 121.4188 59.4724 29.7310 177.9888 103 E 3.8571 8.0480 118.4496 59.3549 29.6504 178.3017 104 E 3.9029 8.1804 118.3153 59.4037 29.5859 179.0161 105 A 4.0888 8.1776 120.8760 55.5329 18.4297 179.7583 106 R 3.8304 7.8380 116.3891 59.5056 30.0240 178.9576 107 R 3.8556 7.9302 118.0365 59.0723 29.9914 178.9951 108 I 3.7807 8.0574 119.7689 64.6141 37.1731 178.7471 109 V 3.7094 7.6985 118.8620 65.9525 31.3738 177.8455 110 D 4.3620 8.2514 118.9092 57.0633 40.6133 178.4747 111 F 4.0869 8.6818 121.2160 61.3860 39.4278 177.0348 112 A 3.9109 8.7336 120.5530 55.1694 18.0055 179.4892 113 A 4.0468 8.2097 119.5250 55.1176 18.3589 180.1513 114 G 3.4208 7.8132 104.0234 47.6330 0.0000 175.9254 115 L 3.8958 7.6594 121.3952 57.9227 41.6322 179.4980 116 C 4.2160 8.1411 116.7648 62.6696 27.8689 175.9029 117 F 3.8541 8.6056 122.3939 61.2963 38.7662 176.9866 118 A 4.1841 8.2632 119.1181 54.4919 18.1820 178.7352 119 L 4.5655 7.6369 114.1278 53.8309 42.8924 176.2599 120 H 3.8813 7.6189 114.0798 56.9314 26.7239 174.4632 121 G 4.3683 8.5354 106.4755 45.2896 0.0000 172.1821 122 K 4.7865 8.7667 120.0715 54.9293 35.9037 174.7893 *124 Q 4.3090 8.4899 116.0101 55.9401 30.5443 174.3961 125 K 3.6454 8.3381 123.3804 54.8102 33.4928 175.8799 126 I 3.9395 8.0845 128.1657 63.0525 38.0625 175.0518 127 D 4.5260 7.0504 116.9221 52.0889 41.6802 175.3562 128 S 4.2404 8.6890 112.7587 61.2018 63.1022 175.1230 129 V 4.6394 8.2491 112.0661 61.0236 33.6797 175.0890 130 T 5.1262 8.1255 117.8931 61.9404 71.9386 173.1425 131 F 5.0436 8.5271 123.5114 55.5260 43.8167 173.6190 132 A 4.9891 8.8723 120.8211 50.5578 22.4194 176.0346 133 V 4.5840 8.8845 114.4393 59.4836 34.8718 174.9683 134 V 5.0264 9.3878 126.3526 60.1420 34.0406 173.2415 135 P 4.6441 0.0000 0.0000 62.5222 31.9858 175.7630 136 E 4.1303 8.6406 122.2961 56.3334 30.3796 176.4099 137 L 4.0698 8.3933 126.4010 54.4614 42.3006 177.1400 138 S 4.2560 8.5419 119.9533 58.2796 62.0867 173.0238 139 N 4.9201 8.4497 123.3987 51.5481 41.3700 173.4061 140 I 4.5271 8.3690 125.8130 59.5889 39.7592 175.7500 141 S 4.3398 8.5378 119.2622 58.7236 63.2222 173.9764 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 71 P 0.00 4.65 0.00 1.98 2.13 0.00 3.66 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 1.94 2.11 0.00 72 V 8.66 3.55 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 0.99 0.00 0.00 1.01 0.00 0.00 73 E 9.45 4.60 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 74 L 8.14 4.40 0.00 1.70 1.52 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 75 H 9.89 4.80 0.00 3.05 3.32 0.00 5.89 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 7.58 4.80 0.00 3.98 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 77 F 8.65 4.22 0.00 3.07 3.06 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 78 E 7.94 3.80 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 79 D 7.85 4.40 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.15 3.44 -0.19 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 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.29 3.86 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 82 V 7.73 3.54 2.12 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 1.03 0.00 0.00 0.90 0.00 0.00 83 I 7.61 3.79 1.87 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.19 0.85 0.00 0.00 84 G 8.52 3.99 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 0.00 0.00 0.00 85 G 8.64 3.70 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 0.00 0.00 0.00 86 A 7.87 4.02 1.43 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 0.00 0.00 0.00 87 F 8.47 4.70 0.00 3.26 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 88 R 8.42 3.90 0.00 2.02 2.13 0.00 3.33 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 89 D 7.56 4.70 0.00 2.92 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 90 G 7.77 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 0.00 0.00 0.00 91 D 7.93 5.05 0.00 2.82 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.62 4.73 1.29 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 0.00 0.00 93 V 8.99 4.65 2.33 0.00 0.00 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 1.15 0.00 0.00 94 V 8.62 4.91 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 0.83 0.00 0.00 0.92 0.00 0.00 95 F 8.39 5.52 0.00 3.13 3.15 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 0.00 0.00 0.00 0.00 96 D 8.77 5.85 0.00 2.85 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 *98 S 8.59 4.43 0.00 4.11 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 99 L 7.88 4.42 0.00 1.78 1.71 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.46 4.73 0.00 1.65 1.60 0.97 1.01 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 0.00 101 S 8.92 4.48 0.00 4.03 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 0.00 102 R 8.41 3.85 0.00 1.90 1.97 0.00 3.19 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 103 E 8.05 3.86 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 104 E 8.18 3.90 0.00 2.22 2.03 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 2.35 2.34 0.00 105 A 8.18 4.09 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 0.00 106 R 7.84 3.83 0.00 1.94 2.06 0.00 3.43 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 107 R 7.93 3.86 0.00 1.87 1.18 0.00 2.91 0.00 0.00 2.76 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.77 0.00 108 I 8.06 3.78 2.04 0.00 0.00 0.60 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 0.74 0.62 0.00 0.00 109 V 7.70 3.71 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 0.89 0.00 0.00 0.41 0.00 0.00 110 D 8.25 4.36 0.00 2.93 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 0.00 111 F 8.68 4.09 0.00 3.37 3.25 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 0.00 112 A 8.73 3.91 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 0.00 113 A 8.21 4.05 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 0.00 114 G 7.81 3.42 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 0.00 115 L 7.66 3.90 0.00 1.61 1.48 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 116 C 8.14 4.22 0.00 2.93 3.15 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 0.00 0.00 0.00 0.00 117 F 8.61 3.85 0.00 3.18 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 0.00 118 A 8.26 4.18 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 0.00 119 L 7.64 4.57 0.00 1.88 1.66 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 120 H 7.62 3.88 0.00 3.21 3.32 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.54 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.77 4.79 0.00 1.80 1.71 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.41 7.81 *124 Q 8.49 4.31 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.67 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 125 K 8.34 3.65 0.00 1.22 1.43 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.90 0.39 7.81 126 I 8.08 3.94 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 0.82 0.00 0.00 127 D 7.05 4.53 0.00 2.79 2.68 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 0.00 0.00 0.00 0.00 128 S 8.69 4.24 0.00 4.05 4.07 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 0.00 0.00 0.00 129 V 8.25 4.64 2.15 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 0.94 0.00 0.00 1.04 0.00 0.00 130 T 8.13 5.13 4.19 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 0.00 0.00 0.00 1.12 0.00 0.00 131 F 8.53 5.04 0.00 2.13 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.87 4.99 1.14 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 0.00 0.00 133 V 8.88 4.58 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.05 0.00 0.00 134 V 9.39 5.03 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 0.98 0.00 0.00 1.00 0.00 0.00 135 P 0.00 4.64 0.00 1.94 1.48 0.00 3.98 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 1.98 1.91 0.00 136 E 8.64 4.13 0.00 2.28 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 137 L 8.39 4.07 0.00 1.67 1.59 0.93 0.96 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 0.00 138 S 8.54 4.26 0.00 3.84 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 0.00 139 N 8.45 4.92 0.00 2.60 2.63 0.00 0.00 7.07 7.94 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 0.00 140 I 8.37 4.53 1.86 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 1.40 0.76 0.90 0.00 0.00 141 S 8.54 4.34 0.00 3.80 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 * Residues marked with a * may have inaccurate shift predictions.