NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 86 K 4.3074 8.3144 121.7893 56.6350 33.5111 174.1975 87 D 4.5406 8.5543 122.9365 53.6434 44.2264 176.3065 88 D 4.6654 8.3293 118.8138 51.6834 39.9459 176.5467 89 S 4.0951 8.3130 116.3881 60.2582 63.2048 175.5435 90 K 3.7663 7.7352 122.1064 55.2138 33.0692 173.7504 91 G 3.8399 7.4342 115.5698 45.6725 0.0000 173.4055 92 K 4.4753 7.4110 117.5924 54.9414 35.0933 176.6180 93 T 4.5948 8.0583 115.1889 59.6170 71.2076 174.5216 94 E 4.1231 8.6171 120.5710 58.8776 29.7008 178.7902 95 E 4.0260 8.0781 118.6846 59.3985 28.5668 178.3287 96 E 4.1616 8.2493 117.1556 57.9054 29.5166 179.1016 97 L 4.3565 7.6560 119.8944 57.8219 41.7240 178.9468 98 S 4.3948 7.6885 115.5377 62.2906 62.9221 176.8780 99 D 4.3630 7.6965 118.8684 57.3311 40.5609 178.7281 100 L 4.2274 8.0996 119.5658 57.7869 41.1187 179.4583 101 F 4.0017 7.6546 120.3202 61.2339 39.1466 177.1112 102 R 3.6729 7.5762 116.0141 58.0533 30.1326 176.6291 103 M 4.2115 7.8445 115.8684 56.7959 32.7609 176.7915 104 F 4.5430 8.0403 115.1018 57.2521 39.6179 176.7772 105 D 4.7578 7.6670 121.4423 53.5119 38.7990 176.0701 106 K 3.8911 8.6041 125.1055 59.0580 32.5347 177.6251 107 N 4.2802 8.2710 115.1433 54.3305 39.6917 173.9735 108 A 3.8162 7.8353 119.4954 53.3513 15.7153 176.6676 109 D 4.8293 8.9665 115.4745 52.2230 40.9346 177.2375 110 G 3.7618 9.4938 109.4041 45.5778 0.0000 172.6662 111 Y 5.2873 7.7285 113.3613 56.7655 42.7734 173.9465 112 I 5.7505 8.8690 120.1017 58.8124 41.9371 174.4381 113 D 5.2296 8.4939 121.0172 50.6605 42.4560 176.2099 114 L 3.8784 8.0821 118.8373 58.5788 41.2782 179.7101 115 E 4.0432 7.6810 117.6586 59.6037 29.4797 179.0671 116 E 4.1670 8.6511 118.5345 59.0002 29.3757 178.8284 117 L 3.9191 8.0063 119.2891 58.1150 41.9636 178.8396 118 K 4.1549 7.7544 117.1600 59.5013 32.0971 179.3912 119 I 4.0012 7.1960 118.2346 63.9392 36.4900 177.9943 120 M 4.4108 8.1479 119.2257 58.8421 31.8911 178.3398 121 L 4.0784 7.7192 118.9125 57.6880 41.9212 179.3636 122 Q 4.0810 8.1241 117.5893 58.6623 28.3714 178.4696 123 A 4.2842 7.8457 119.9298 54.2044 18.5291 178.2936 124 T 4.4921 8.1668 109.1130 60.6278 68.8725 173.9473 125 G 3.9709 8.1072 106.2113 43.2965 0.0000 176.1051 126 E 3.6735 8.8739 115.8947 56.8047 25.9551 172.8539 127 T 3.9303 7.6957 112.7387 61.9481 68.1904 173.1016 128 I 4.5256 8.0041 120.9129 60.2804 40.5938 173.4015 129 T 4.6348 7.9105 110.6368 60.0600 71.1543 174.3242 130 E 4.1799 8.5414 120.4071 57.9584 29.8905 178.6435 131 D 4.3706 7.9503 117.6630 57.6681 41.8522 177.2980 132 D 4.5903 8.0287 118.1905 56.6649 41.4587 178.7382 133 I 3.7332 7.4531 120.2066 64.2300 36.6823 178.0263 134 E 3.9742 7.9737 119.1479 59.9035 29.1310 179.5300 135 E 4.0178 8.1128 117.5405 58.7435 29.1570 178.7204 136 L 3.8286 7.6963 120.7998 58.5794 42.1303 178.8525 137 M 4.4123 8.0390 117.3654 59.0270 31.9465 177.0810 138 K 3.8042 7.7104 116.8206 60.4560 32.2179 177.8480 139 D 4.5720 8.0640 124.0327 55.6331 39.8353 178.4931 140 G 3.8265 7.4164 105.8948 45.9557 0.0000 173.2290 141 D 4.6417 7.8651 121.9587 52.9268 41.5039 176.9525 142 K 4.0226 8.8204 128.7042 58.9012 32.3810 176.7574 143 N 4.9334 7.9523 112.0791 51.2146 38.5054 174.2536 144 N 4.2654 7.4914 111.7975 54.7805 35.8286 173.0419 145 D 4.8184 9.3384 117.8926 52.9611 43.5518 176.5448 146 G 3.8357 8.0332 109.6339 45.1505 0.0000 173.5228 147 R 5.6126 7.5201 114.1649 53.4818 33.2132 174.6883 148 I 5.2273 8.5751 120.0788 59.2447 39.8743 174.8517 149 D 5.2227 8.5186 128.2888 52.6448 42.4028 175.8184 150 Y 4.2831 9.1931 117.6160 62.1346 39.1286 178.3293 151 D 4.3842 8.6019 119.5850 56.9412 41.1099 178.0254 152 E 3.9993 8.9171 119.4394 59.7330 29.5095 179.7073 153 F 3.8089 8.2246 120.6513 60.9395 39.1711 177.1040 154 L 4.0077 7.6629 117.7721 57.9790 41.5740 178.8251 155 E 4.0730 8.0552 118.3397 58.4843 29.3152 177.8579 156 F 3.7026 7.8387 120.8671 61.8591 39.3909 177.2103 157 M 4.1459 7.7558 117.5796 57.8379 31.4687 178.7464 158 K 4.0469 7.4947 118.5543 58.4913 32.1877 177.8683 159 G 3.8898 7.3240 104.6102 44.7325 0.0000 172.9294 160 V 4.0063 7.4997 119.2615 60.6028 32.5128 175.1776 161 E 4.2048 8.4647 126.8643 56.1783 29.7816 175.3779 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 86 K 8.31 4.31 0.00 1.74 1.78 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 87 D 8.55 4.54 0.00 2.67 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 88 D 8.33 4.67 0.00 2.91 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.31 4.10 0.00 3.89 3.98 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 90 K 7.74 3.77 0.00 1.91 1.82 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.43 7.81 91 G 7.43 3.84 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 0.00 0.00 0.00 92 K 7.41 4.48 0.00 1.73 1.77 0.00 1.66 0.00 0.00 1.82 0.00 0.00 3.22 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.49 7.81 93 T 8.06 4.59 4.27 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 1.23 0.00 0.00 94 E 8.62 4.12 0.00 2.05 2.02 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 2.40 2.36 0.00 95 E 8.08 4.03 0.00 2.04 2.02 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 2.36 2.46 0.00 96 E 8.25 4.16 0.00 2.32 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 0.00 2.37 2.43 0.00 97 L 7.66 4.36 0.00 2.11 2.02 0.97 0.97 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 98 S 7.69 4.39 0.00 4.08 4.30 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.70 4.36 0.00 2.85 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 0.00 100 L 8.10 4.23 0.00 2.24 2.25 1.13 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 101 F 7.65 4.00 0.00 1.51 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 7.58 3.67 0.00 1.43 1.75 0.00 3.06 0.00 0.00 2.94 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.39 0.00 103 M 7.84 4.21 0.00 1.87 2.35 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 104 F 8.04 4.54 0.00 3.56 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 0.00 105 D 7.67 4.76 0.00 2.93 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.60 3.89 0.00 1.82 1.91 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.55 7.81 107 N 8.27 4.28 0.00 2.85 3.09 0.00 0.00 6.95 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 0.00 108 A 7.84 3.82 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.97 4.83 0.00 2.85 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 0.00 110 G 9.49 3.76 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 0.00 0.00 0.00 111 Y 7.73 5.29 0.00 3.07 3.02 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 0.00 112 I 8.87 5.75 1.90 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.61 1.05 0.00 0.00 113 D 8.49 5.23 0.00 2.76 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 3.88 0.00 1.82 1.77 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 115 E 7.68 4.04 0.00 2.23 2.00 0.00 0.00 0.00 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 2.37 0.00 116 E 8.65 4.17 0.00 2.08 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 2.38 2.43 0.00 117 L 8.01 3.92 0.00 1.71 1.71 0.50 0.71 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 0.00 118 K 7.75 4.15 0.00 2.13 1.86 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.62 7.81 119 I 7.20 4.00 2.13 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 1.43 1.58 1.00 0.00 0.00 120 M 8.15 4.41 0.00 2.15 1.93 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.07 0.00 121 L 7.72 4.08 0.00 1.81 1.70 0.94 0.83 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 0.00 122 Q 8.12 4.08 0.00 2.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 123 A 7.85 4.28 1.68 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 0.00 0.00 124 T 8.17 4.49 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 125 G 8.11 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 0.00 0.00 0.00 126 E 8.87 3.67 0.00 2.10 1.97 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 2.24 2.22 0.00 127 T 7.70 3.93 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 0.00 128 I 8.00 4.53 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 1.66 0.58 0.93 0.00 0.00 129 T 7.91 4.63 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 E 8.54 4.18 0.00 2.03 1.97 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 2.48 2.30 0.00 131 D 7.95 4.37 0.00 2.71 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 0.00 132 D 8.03 4.59 0.00 2.79 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 0.00 133 I 7.45 3.73 1.88 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 1.53 1.06 0.93 0.00 0.00 134 E 7.97 3.97 0.00 2.14 2.02 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 2.34 2.47 0.00 135 E 8.11 4.02 0.00 2.03 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 2.37 2.40 0.00 136 L 7.70 3.83 0.00 1.88 1.90 0.64 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 137 M 8.04 4.41 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 138 K 7.71 3.80 0.00 1.89 1.74 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.65 7.81 139 D 8.06 4.57 0.00 2.73 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.42 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 0.00 0.00 0.00 141 D 7.87 4.64 0.00 2.93 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.82 4.02 0.00 1.75 1.85 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.50 7.81 143 N 7.95 4.93 0.00 2.88 2.83 0.00 0.00 6.30 8.33 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 0.00 144 N 7.49 4.27 0.00 2.84 2.84 0.00 0.00 6.85 8.14 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 0.00 145 D 9.34 4.82 0.00 2.65 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 0.00 146 G 8.03 3.84 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 0.00 0.00 0.00 147 R 7.52 5.61 0.00 1.89 1.90 0.00 2.36 0.00 0.00 3.80 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 148 I 8.58 5.23 1.73 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.12 0.70 0.00 0.00 149 D 8.52 5.22 0.00 3.08 3.31 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 0.00 150 Y 9.19 4.28 0.00 3.09 3.22 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 0.00 0.00 0.00 151 D 8.60 4.38 0.00 3.06 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 0.00 152 E 8.92 4.00 0.00 2.20 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 0.00 2.46 2.41 0.00 153 F 8.22 3.81 0.00 2.60 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 0.00 154 L 7.66 4.01 0.00 1.81 1.66 0.90 0.06 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 0.00 155 E 8.06 4.07 0.00 2.05 1.91 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 2.33 2.35 0.00 156 F 7.84 3.70 0.00 3.09 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 0.00 157 M 7.76 4.15 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 158 K 7.49 4.05 0.00 1.76 1.83 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.55 7.81 159 G 7.32 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 0.00 0.00 0.00 160 V 7.50 4.01 1.80 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 0.58 0.00 0.00 0.07 0.00 0.00 161 E 8.46 4.20 0.00 1.87 1.70 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 2.16 2.24 0.00