NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.3633 8.1627 120.6117 55.4241 34.0647 173.7183 102 L 4.8737 8.6376 128.4621 51.7024 43.0477 173.8241 103 I 5.1789 9.2390 121.5576 58.6281 41.2868 174.0996 104 K 5.2046 8.5338 120.9167 54.4561 35.7231 175.8679 105 V 4.8136 8.6390 123.5185 59.7238 34.3877 174.2865 106 K 4.6140 9.3812 127.8644 55.3501 33.5164 176.2272 107 T 4.4375 8.5230 122.1324 61.3560 69.0270 174.0046 108 L 4.4702 8.3888 122.4334 55.7759 41.6152 176.6458 109 T 4.5732 7.3306 104.0275 60.6325 69.6110 173.5861 110 G 3.9238 8.3115 108.9256 47.0641 0.0000 176.2268 111 K 3.7710 8.3735 121.4611 58.6373 32.4442 173.0764 112 E 3.7263 8.3085 128.5201 55.6491 27.5147 172.6382 113 I 4.5972 8.3717 119.5679 58.9035 40.8902 174.0546 114 E 4.9455 8.5949 124.1451 55.1747 31.1228 175.1343 115 I 4.7463 9.1996 126.6715 59.7379 42.0672 173.7217 116 D 5.3045 8.6549 125.0320 53.2099 41.8715 176.0094 117 I 4.7288 8.6820 123.6665 59.7897 41.7932 174.2375 118 E 4.7176 9.2464 124.7623 53.9556 31.5393 175.8758 119 P 3.7125 0.0000 0.0000 65.2870 31.8148 177.5238 120 T 4.1586 7.6506 111.0550 63.1995 67.9614 174.5430 121 D 4.5624 8.7148 122.6214 54.2281 41.6986 175.8920 122 K 4.7383 8.2657 120.9652 55.6095 33.6836 178.2376 123 V 3.5806 8.9825 121.6311 66.2772 31.4011 177.9018 124 E 3.8948 7.9201 118.5922 59.7560 29.3053 179.1268 125 R 4.0311 8.0342 118.2339 59.2913 30.2588 178.1564 126 I 3.6621 7.7825 119.2276 64.6035 36.9304 178.2901 127 K 4.2332 7.8891 119.9973 58.8974 31.8301 179.2558 128 E 3.9651 7.7506 117.6228 59.3183 29.3189 179.5952 129 R 3.8869 8.1574 118.2169 59.1635 30.0780 179.1212 130 V 3.5154 7.6112 117.6813 66.0058 31.3966 177.3222 131 E 4.2009 8.4016 119.1824 59.5953 29.2515 178.1223 132 E 3.7252 8.2273 118.2100 59.4530 29.6133 178.6618 133 K 4.2215 7.8168 116.7468 58.2377 32.7409 178.0900 134 E 4.5658 8.9027 116.8593 55.1987 30.5449 176.8591 135 G 3.7614 8.8523 107.8919 46.1150 0.0000 173.5047 136 I 4.1243 7.5788 120.6102 58.6845 37.3646 174.1163 137 P 4.3877 0.0000 0.0000 62.4641 31.8682 175.9956 138 P 4.3508 0.0000 0.0000 65.3614 31.6652 178.5607 139 Q 3.9948 8.2564 116.8633 58.5566 28.6474 177.1994 140 Q 4.4992 7.9646 113.0637 55.8038 29.1100 174.9287 141 Q 4.3813 7.7394 118.2555 55.2579 29.9923 174.9435 142 R 4.5723 8.2801 120.2141 54.5365 33.4745 174.2231 143 L 4.9545 8.3935 124.2323 53.7178 44.2446 176.1059 144 I 4.8190 8.5338 122.2455 59.8577 41.4571 173.5165 145 Y 4.8010 8.8648 128.6142 56.4538 41.1614 175.5728 146 S 3.5085 9.1352 120.3263 59.2728 61.7522 170.8730 147 G 4.3299 8.0148 115.8020 46.4556 0.0000 172.9998 148 K 4.0761 7.8222 119.8119 56.1629 32.4835 176.1017 149 Q 4.8348 8.4044 122.1495 54.4148 28.9139 174.2604 150 M 3.1147 7.8208 124.3570 55.6679 32.6772 175.8014 151 N 4.6974 10.2961 124.9904 52.4506 40.4808 175.2893 152 D 4.8855 8.8223 123.8545 53.9231 39.3026 176.9796 153 E 4.3798 9.0149 121.6831 56.8229 31.2263 176.1018 154 K 4.3809 7.7784 118.2301 55.5893 33.9362 175.1465 155 T 4.8912 9.8078 114.4372 60.2436 69.3171 174.9783 156 A 4.0552 8.8873 129.3474 55.5668 18.8495 180.1513 157 A 3.9895 8.0507 117.5748 55.5839 18.1805 179.2886 158 D 4.1729 7.6604 116.0503 57.3990 40.8275 178.1252 159 Y 4.5858 7.4664 113.9253 56.5707 38.5706 175.5590 160 K 3.9089 8.5942 118.0801 57.4543 30.3054 175.7809 161 I 3.7143 7.7067 118.2234 60.8226 38.1160 176.2952 162 L 4.3817 8.9012 124.9280 53.6670 45.2497 179.1556 163 G 3.8408 9.2180 113.1050 46.7330 0.0000 174.0457 164 G 3.6866 8.8972 112.4792 47.5566 0.0000 174.1069 165 S 4.2980 7.6915 114.6756 58.6900 64.0379 173.9492 166 V 4.9450 8.6348 121.3597 61.3242 33.4583 174.5175 167 L 5.0547 9.0755 128.0394 53.6278 44.5181 175.0694 168 H 5.3450 8.6903 118.5271 53.9714 31.9217 173.1287 169 L 4.8911 8.7607 124.1602 54.5190 42.3719 176.5257 170 V 4.6316 8.5438 122.3210 60.5615 35.1358 173.6446 171 L 4.4172 8.1227 120.3603 54.2338 44.7192 173.4875 172 A 4.7666 8.2478 123.3061 50.1550 21.9032 175.4392 173 L 4.8390 8.2545 120.7024 53.0414 44.6085 177.2262 174 R 4.0406 8.6986 121.3995 59.0325 30.4273 177.5613 175 G 3.8746 7.8983 104.5130 45.9661 0.0000 173.3795 176 G 3.7378 8.2226 106.8729 46.1927 0.0000 173.5394 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 8.16 4.36 0.00 2.45 2.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 102 L 8.64 4.87 0.00 1.71 1.55 1.03 0.81 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 0.00 103 I 9.24 5.18 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.57 0.90 0.00 0.00 104 K 8.53 5.20 0.00 1.71 1.68 0.00 1.60 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.33 7.81 105 V 8.64 4.81 2.04 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 0.85 0.00 0.00 0.95 0.00 0.00 106 K 9.38 4.61 0.00 1.67 1.73 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.40 1.37 7.81 107 T 8.52 4.44 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 1.30 0.00 0.00 108 L 8.39 4.47 0.00 1.63 1.64 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.33 4.57 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 0.00 110 G 8.31 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.37 3.77 0.00 1.73 1.84 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.42 7.81 112 E 8.31 3.73 0.00 2.14 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 2.16 2.27 0.00 113 I 8.37 4.60 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 1.27 0.52 0.94 0.00 0.00 114 E 8.59 4.95 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.43 0.00 115 I 9.20 4.75 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.55 0.89 0.00 0.00 116 D 8.65 5.30 0.00 2.54 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 8.68 4.73 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.48 0.93 0.00 0.00 118 E 9.25 4.72 0.00 2.00 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 2.22 2.39 0.00 119 P 0.00 3.71 0.00 2.16 2.13 0.00 3.57 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 2.12 2.11 0.00 120 T 7.65 4.16 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 0.00 121 D 8.71 4.56 0.00 2.76 2.57 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 0.00 122 K 8.27 4.74 0.00 1.83 1.73 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.43 7.81 123 V 8.98 3.58 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 0.97 0.00 0.00 1.14 0.00 0.00 124 E 7.92 3.89 0.00 2.37 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 2.32 2.36 0.00 125 R 8.03 4.03 0.00 1.93 2.00 0.00 3.35 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 126 I 7.78 3.66 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.13 0.87 0.00 0.00 127 K 7.89 4.23 0.00 2.03 1.84 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.32 7.81 128 E 7.75 3.97 0.00 2.24 1.99 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 2.33 2.54 0.00 129 R 8.16 3.89 0.00 1.98 1.96 0.00 3.29 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.77 0.00 130 V 7.61 3.52 2.36 0.00 0.00 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 0.99 0.00 0.00 131 E 8.40 4.20 0.00 2.17 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 2.31 2.33 0.00 132 E 8.23 3.73 0.00 2.04 2.28 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 2.33 2.39 0.00 133 K 7.82 4.22 0.00 1.89 1.83 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.61 7.81 134 E 8.90 4.57 0.00 1.94 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 2.25 2.43 0.00 135 G 8.85 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 0.00 136 I 7.58 4.12 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 1.41 0.62 0.91 0.00 0.00 137 P 0.00 4.39 0.00 2.17 2.01 0.00 3.60 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 138 P 0.00 4.35 0.00 2.17 2.10 0.00 3.60 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 139 Q 8.26 3.99 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.31 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 140 Q 7.96 4.50 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 141 Q 7.74 4.38 0.00 2.31 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 142 R 8.28 4.57 0.00 1.84 1.80 0.00 3.27 0.00 0.00 3.33 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 143 L 8.39 4.95 0.00 1.51 1.49 0.86 0.72 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 0.00 144 I 8.53 4.82 1.89 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 1.10 0.89 0.96 0.00 0.00 145 Y 8.86 4.80 0.00 2.93 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 0.00 146 S 9.14 3.51 0.00 3.89 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.01 4.33 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 0.00 148 K 7.82 4.08 0.00 2.11 1.97 0.00 1.83 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.74 7.81 149 Q 8.40 4.83 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 150 M 7.82 3.11 0.00 1.48 1.84 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.86 0.00 151 N 10.30 4.70 0.00 2.80 2.89 0.00 0.00 6.52 8.37 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 0.00 152 D 8.82 4.89 0.00 2.93 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 0.00 153 E 9.01 4.38 0.00 1.88 2.14 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 2.24 2.30 0.00 154 K 7.78 4.38 0.00 1.99 1.87 0.00 1.56 0.00 0.00 1.32 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.39 7.81 155 T 9.81 4.89 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 1.39 0.00 0.00 156 A 8.89 4.06 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 0.00 157 A 8.05 3.99 1.37 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 0.00 158 D 7.66 4.17 0.00 2.72 2.34 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 0.00 159 Y 7.47 4.59 0.00 2.95 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 0.00 160 K 8.59 3.91 0.00 2.04 1.99 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.45 7.81 161 I 7.71 3.71 1.84 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.25 0.69 0.00 0.00 162 L 8.90 4.38 0.00 1.66 1.54 0.95 1.09 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 0.00 163 G 9.22 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 0.00 164 G 8.90 3.69 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 0.00 0.00 0.00 165 S 7.69 4.30 0.00 3.86 4.22 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 0.00 166 V 8.63 4.94 2.14 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 0.75 0.00 0.00 1.01 0.00 0.00 167 L 9.08 5.05 0.00 1.55 1.54 0.82 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 168 H 8.69 5.34 0.00 3.13 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.76 4.89 0.00 1.64 1.60 0.92 1.04 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 0.00 170 V 8.54 4.63 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 0.66 0.00 0.00 0.93 0.00 0.00 171 L 8.12 4.42 0.00 1.56 1.54 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 172 A 8.25 4.77 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 0.00 173 L 8.25 4.84 0.00 1.59 1.56 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 174 R 8.70 4.04 0.00 1.80 1.98 0.00 3.22 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 175 G 7.90 3.87 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 0.00 0.00 0.00 176 G 8.22 3.74 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 0.00 0.00 0.00