NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 84 M 4.5400 8.1633 118.3636 55.6240 35.3539 176.1978 85 T 4.8547 8.4394 114.2793 61.5603 69.7538 172.2350 86 F 4.8584 9.7859 124.4328 55.5474 43.8695 173.6600 87 V 4.8663 8.2540 119.5558 60.8036 33.9673 175.0105 88 A 4.1102 8.7938 130.1334 52.2261 18.6223 178.3731 89 L 4.0201 8.6939 122.3945 56.2367 42.4695 176.1895 90 Y 5.0624 7.5439 113.6005 55.9371 42.1987 174.9274 91 D 4.8021 8.8802 120.7302 54.8898 42.0554 175.5027 92 Y 4.4400 8.5476 122.6987 55.8897 42.1947 173.2091 93 E 4.2920 7.7610 127.7362 54.2174 30.8523 175.6494 94 S 4.2657 8.3733 122.1827 58.8385 62.9218 173.9637 95 R 4.4163 9.5445 125.2134 56.4426 31.2944 175.6087 96 T 4.7168 8.0364 106.7251 59.5147 71.9099 173.5666 97 E 4.1521 8.7032 118.2269 57.8903 29.8040 177.2409 98 T 4.3642 7.5825 108.6552 61.4506 70.3306 174.2948 99 D 4.5306 7.8011 121.3514 52.6796 40.6105 175.0132 100 L 4.7383 8.2079 121.8834 53.3276 43.5376 176.0988 101 S 4.7032 8.8183 123.2252 58.7698 63.7439 173.5434 102 F 5.2416 8.7094 117.4893 55.9056 41.7867 173.1310 103 K 5.1048 9.4678 119.2199 54.0720 35.0253 176.0740 104 K 4.1169 8.8362 123.6923 58.5966 32.3887 176.5143 105 G 4.1306 8.9751 114.5902 45.4988 0.0000 174.0152 106 E 4.1973 8.1439 119.2054 56.5558 30.7790 176.2545 107 R 4.8995 8.4456 121.8222 55.0217 31.7145 175.8091 108 L 4.8709 9.3232 123.6429 52.8314 45.5761 175.2082 109 Q 5.1933 8.5195 122.9194 54.1404 31.7273 174.9389 110 I 3.9310 8.3342 126.9190 61.2804 37.8677 175.6689 111 V 4.1360 8.2466 126.9313 61.0208 32.3510 175.2529 112 N 4.5080 8.6453 125.2190 53.5271 38.9945 174.0506 113 N 5.0194 8.4038 119.9583 52.1645 42.1078 175.3110 114 T 4.1072 8.6123 115.4729 64.3253 69.6097 175.6511 115 E 3.9323 8.4414 122.0506 57.2925 29.7528 177.6148 116 G 3.9943 7.4713 104.0930 44.0937 0.0000 172.3839 117 D 4.6768 8.1341 117.1320 54.3133 42.0549 175.7770 118 W 5.0144 8.8306 120.6410 55.1430 31.1436 175.6923 119 W 5.3630 9.1082 123.0804 54.7487 32.7296 174.3243 120 L 4.3714 8.8212 124.8636 54.7519 42.2311 175.7825 121 A 4.8783 9.1954 127.5349 50.4131 23.1120 173.7179 122 H 5.1863 8.7216 119.5069 54.2831 32.1804 173.7528 123 S 4.3354 8.9117 121.5379 57.5920 62.5347 174.8391 124 L 4.0479 8.4069 128.1976 57.6589 41.9441 178.7497 125 T 4.0652 8.0232 115.1088 66.0149 68.5152 175.2890 126 T 4.3158 7.9204 108.6331 60.6006 70.2423 175.5510 127 G 3.9028 8.2122 109.6730 45.5097 0.0000 173.9708 128 R 4.3646 7.6391 119.0822 56.1512 31.0506 175.4244 129 T 5.0835 7.9622 115.3623 61.8977 72.6747 173.6154 130 G 3.9265 8.3232 111.6687 46.2388 0.0000 171.4730 131 Y 5.2548 8.7639 117.8035 57.8647 38.7079 175.6926 132 I 4.7317 9.3972 116.3655 58.2042 41.8696 172.8886 133 P 2.9700 0.0000 0.0000 61.3149 31.3866 177.4261 134 S 3.2771 7.7749 119.2477 60.3100 62.7869 175.8301 135 N 4.3846 7.6829 117.4496 55.1466 38.2416 175.1035 136 Y 4.2493 7.7443 114.9709 58.0622 38.4002 175.2782 137 V 4.5722 7.3135 112.1283 59.4157 35.5979 174.5734 138 A 4.7639 8.1120 122.3388 49.6858 22.0486 174.6218 139 P 4.5234 0.0000 0.0000 62.8872 32.1518 176.9360 140 S 4.2041 8.2956 114.4963 58.7253 63.0280 173.7916 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 84 M 8.16 4.54 0.00 2.02 1.60 0.00 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.03 0.00 85 T 8.44 4.85 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 1.18 0.00 0.00 86 F 9.79 4.86 0.00 2.85 2.87 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 0.00 0.00 0.00 87 V 8.25 4.87 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 0.82 0.00 0.00 0.91 0.00 0.00 88 A 8.79 4.11 1.28 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 0.00 0.00 89 L 8.69 4.02 0.00 0.92 0.86 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 7.54 5.06 0.00 2.91 2.85 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 0.00 0.00 0.00 0.00 91 D 8.88 4.80 0.00 2.58 2.56 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 92 Y 8.55 4.44 0.00 2.55 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 93 E 7.76 4.29 0.00 1.73 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 2.01 2.11 0.00 94 S 8.37 4.27 0.00 3.86 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 95 R 9.54 4.42 0.00 1.80 1.94 0.00 3.18 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 96 T 8.04 4.72 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 1.19 0.00 0.00 97 E 8.70 4.15 0.00 2.07 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 2.23 2.25 0.00 98 T 7.58 4.36 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 1.10 0.00 0.00 99 D 7.80 4.53 0.00 2.94 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 0.00 100 L 8.21 4.74 0.00 1.69 1.70 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.82 4.70 0.00 3.80 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 0.00 102 F 8.71 5.24 0.00 3.12 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 0.00 103 K 9.47 5.10 0.00 1.75 1.80 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.54 7.81 104 K 8.84 4.12 0.00 1.78 1.80 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.53 7.81 105 G 8.98 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 0.00 0.00 0.00 106 E 8.14 4.20 0.00 2.00 1.90 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 2.39 2.60 0.00 107 R 8.45 4.90 0.00 1.69 1.85 0.00 3.14 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 108 L 9.32 4.87 0.00 1.46 1.42 0.30 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.52 5.19 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.93 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 110 I 8.33 3.93 1.96 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.92 0.93 0.00 0.00 111 V 8.25 4.14 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 0.83 0.00 0.00 0.94 0.00 0.00 112 N 8.65 4.51 0.00 2.77 2.76 0.00 0.00 6.84 8.00 0.00 0.00 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 N 8.40 5.02 0.00 2.95 2.64 0.00 0.00 6.96 7.22 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 0.00 114 T 8.61 4.11 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 0.00 115 E 8.44 3.93 0.00 2.21 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 2.56 2.45 0.00 116 G 7.47 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 0.00 117 D 8.13 4.68 0.00 2.67 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 0.00 118 W 8.83 5.01 0.00 3.09 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 0.00 119 W 9.11 5.36 0.00 3.28 2.89 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 0.00 120 L 8.82 4.37 0.00 1.43 1.52 0.17 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 121 A 9.20 4.88 1.28 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 0.00 0.00 122 H 8.72 5.19 0.00 3.08 3.20 0.00 5.92 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.91 4.34 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 0.00 124 L 8.41 4.05 0.00 1.66 1.71 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.02 4.07 4.23 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 0.00 0.00 0.00 1.21 0.00 0.00 126 T 7.92 4.32 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 1.21 0.00 0.00 127 G 8.21 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 0.00 128 R 7.64 4.36 0.00 1.91 1.86 0.00 3.10 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 129 T 7.96 5.08 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 1.21 0.00 0.00 130 G 8.32 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 0.00 0.00 0.00 131 Y 8.76 5.25 0.00 3.06 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.40 4.73 1.70 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 1.57 0.71 0.94 0.00 0.00 133 P 0.00 2.97 0.00 1.52 0.49 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.66 0.00 134 S 7.77 3.28 0.00 2.72 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 0.00 135 N 7.68 4.38 0.00 2.84 2.83 0.00 0.00 6.96 7.07 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 0.00 136 Y 7.74 4.25 0.00 2.83 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 0.00 137 V 7.31 4.57 2.13 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 0.69 0.00 0.00 0.98 0.00 0.00 138 A 8.11 4.76 1.19 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 0.00 139 P 0.00 4.52 0.00 2.08 2.04 0.00 3.67 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 2.07 2.16 0.00 140 S 8.30 4.20 0.00 3.92 3.77 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