NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.4503 8.3044 118.1942 54.7943 32.6810 175.1395 102 V 3.4501 8.5479 120.5615 64.9175 31.7037 174.7475 103 I 4.2981 8.0018 122.2279 59.4747 39.8842 174.4147 104 A 4.6638 8.7227 128.6909 50.5673 21.1957 177.7339 105 T 3.9194 8.4317 116.0284 66.9168 68.1763 176.6409 106 D 4.6031 8.0063 119.0434 55.9163 39.5652 177.4997 107 D 4.5276 7.9193 119.3647 55.9216 41.2713 177.4103 108 L 4.5337 7.8832 119.3548 54.8533 42.8841 176.0338 109 E 5.1466 7.2607 113.7169 55.0915 32.4006 173.9821 110 T 4.7793 8.6323 110.3019 59.6906 72.7396 173.1097 111 T 4.2097 8.6988 118.5754 64.4978 69.3457 173.4440 112 C 4.3337 9.1859 127.6311 59.0708 32.0588 172.7902 113 P 4.4092 0.0000 0.0000 64.8994 31.7363 177.0379 114 N 4.4691 8.2465 117.4943 55.6608 39.2648 174.9752 115 C 4.6266 7.9335 109.7803 57.0123 30.5310 173.5015 116 N 3.9651 9.2889 116.1072 54.5394 36.2318 175.3118 117 G 4.0558 8.4578 106.5343 45.2471 0.0000 175.6880 118 S 4.0939 7.7853 114.3189 59.5196 63.3438 175.7387 119 G 3.9414 8.4468 107.5077 45.4013 0.0000 172.5250 120 R 4.9953 7.8432 116.8832 54.3716 34.1889 175.2370 121 E 4.6752 9.3358 119.5082 58.0897 29.6999 174.7946 122 E 3.7803 7.1923 117.2267 54.5750 30.4979 175.8219 123 P 4.7307 0.0000 0.0000 62.6924 31.8786 175.0896 124 E 4.7276 7.6290 118.5769 53.9407 32.1193 173.8150 125 P 4.7178 0.0000 0.0000 62.4694 32.1277 175.9082 126 C 4.2230 8.3963 121.0592 58.9248 31.9060 172.7413 127 P 4.3652 0.0000 0.0000 64.6545 31.4591 177.1901 128 K 4.1518 8.0299 119.8286 57.9645 32.6910 176.6386 129 C 4.6752 7.8867 110.8216 56.7092 30.0945 173.3672 130 L 3.7092 8.5780 120.5413 56.4688 40.4790 175.3371 131 G 4.4724 8.4867 102.6829 45.2111 0.0000 175.2079 132 K 4.0642 7.9668 119.2515 57.0059 32.6457 178.3611 133 G 4.0382 8.7232 107.0325 44.8037 0.0000 172.9050 134 V 5.1020 7.2918 111.0571 59.4329 35.5455 174.7598 135 I 4.6372 8.6143 116.0308 59.0582 40.8424 174.6578 136 L 4.8654 8.3834 122.7382 54.5968 43.0337 177.6236 137 T 4.3725 8.3375 112.9231 60.4625 72.0172 175.7409 138 A 3.9446 8.3106 121.4459 55.4542 18.3447 179.4346 139 Q 4.0009 8.1159 117.7718 59.1998 29.1133 178.6180 140 G 3.5703 8.0482 106.6186 47.8346 0.0000 175.5899 141 S 4.1376 8.3116 116.1558 61.3034 62.3702 176.3337 142 T 3.8843 8.0629 118.3426 66.7023 68.1680 176.6194 143 L 4.0512 7.9493 120.7358 57.7322 41.6258 179.3566 144 L 3.9671 8.3415 120.6871 58.3900 42.0100 178.2941 145 H 4.0696 8.5297 118.4136 59.2540 29.7968 176.8730 146 F 4.2432 8.3391 122.2037 61.4477 39.3117 177.0159 147 I 3.4223 8.1012 119.4601 64.3561 36.9497 178.5835 148 K 3.8644 8.3079 119.5419 59.2732 31.6448 179.1599 149 K 3.6100 7.7537 118.7412 59.6238 32.1754 177.8034 150 H 4.4497 7.6251 113.2614 56.4668 29.1349 176.3773 151 I 4.1754 7.4270 119.9308 60.2444 37.9308 175.1889 152 H 4.2756 7.8476 122.3382 56.2835 29.3695 174.3447 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 101 M 8.30 4.45 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 102 V 8.55 3.45 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 0.78 0.00 0.00 0.92 0.00 0.00 103 I 8.00 4.30 1.87 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 1.34 0.79 0.91 0.00 0.00 104 A 8.72 4.66 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 0.00 105 T 8.43 3.92 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 0.00 106 D 8.01 4.60 0.00 2.83 2.81 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 0.00 107 D 7.92 4.53 0.00 2.88 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 0.00 108 L 7.88 4.53 0.00 1.82 1.69 0.93 0.54 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 0.00 109 E 7.26 5.15 0.00 2.16 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 2.34 2.30 0.00 110 T 8.63 4.78 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 0.00 111 T 8.70 4.21 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 0.00 112 C 9.19 4.33 0.00 2.99 2.91 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 0.00 113 P 0.00 4.41 0.00 2.22 2.16 0.00 3.81 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 1.98 1.95 0.00 114 N 8.25 4.47 0.00 2.69 2.87 0.00 0.00 6.83 7.65 0.00 0.00 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 C 7.93 4.63 0.00 3.19 3.11 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 0.00 0.00 0.00 0.00 116 N 9.29 3.97 0.00 2.91 2.92 0.00 0.00 7.22 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.46 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 0.00 0.00 0.00 118 S 7.79 4.09 0.00 4.01 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 0.00 119 G 8.45 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 0.00 0.00 0.00 120 R 7.84 5.00 0.00 1.77 1.79 0.00 3.28 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 121 E 9.34 4.68 0.00 1.88 1.76 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 2.19 2.26 0.00 122 E 7.19 3.78 0.00 2.01 1.83 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 2.31 2.30 0.00 123 P 0.00 4.73 0.00 2.17 2.12 0.00 3.72 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 1.94 1.97 0.00 124 E 7.63 4.73 0.00 1.94 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 2.22 2.35 0.00 125 P 0.00 4.72 0.00 2.17 2.05 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 126 C 8.40 4.22 0.00 2.98 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 0.00 127 P 0.00 4.37 0.00 2.22 2.16 0.00 3.87 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 1.98 1.95 0.00 128 K 8.03 4.15 0.00 1.74 1.87 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.42 7.81 129 C 7.89 4.68 0.00 3.27 3.09 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 0.00 130 L 8.58 3.71 0.00 1.70 1.74 0.92 1.04 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 0.00 131 G 8.49 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.06 0.00 1.89 1.88 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.38 7.81 133 G 8.72 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.29 5.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.04 0.00 0.00 135 I 8.61 4.64 1.87 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 1.38 0.98 0.91 0.00 0.00 136 L 8.38 4.87 0.00 1.56 1.64 0.94 0.93 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 0.00 137 T 8.34 4.37 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 1.25 0.00 0.00 138 A 8.31 3.94 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.12 4.00 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 140 G 8.05 3.57 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 0.00 141 S 8.31 4.14 0.00 3.96 4.02 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 0.00 0.00 0.00 0.00 142 T 8.06 3.88 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 0.00 143 L 7.95 4.05 0.00 1.75 1.78 0.93 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 144 L 8.34 3.97 0.00 1.86 1.70 0.94 0.84 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 0.00 145 H 8.53 4.07 0.00 3.38 3.51 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 8.34 4.24 0.00 3.21 3.26 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 0.00 147 I 8.10 3.42 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.93 0.89 0.00 0.00 148 K 8.31 3.86 0.00 1.68 1.79 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.68 7.81 149 K 7.75 3.61 0.00 1.59 1.82 0.00 1.61 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.09 1.29 7.81 150 H 7.63 4.45 0.00 2.73 3.13 0.00 5.68 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 0.00 151 I 7.43 4.18 1.90 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 1.47 0.57 0.89 0.00 0.00 152 H 7.85 4.28 0.00 3.25 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00