NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 102 R 4.1451 8.2549 117.2528 55.5765 31.0690 175.0700 103 R 4.1272 7.8683 116.6072 54.6554 32.0926 175.3104 104 P 4.5518 0.0000 0.0000 66.0449 31.7107 178.4520 105 E 4.0297 8.2532 116.8646 59.6591 29.4333 179.1335 106 E 4.0423 8.0624 117.8633 58.7475 29.6154 178.8468 107 W 4.7552 8.0173 118.9265 60.0625 29.1143 178.6864 108 G 3.6960 8.7846 105.7928 47.8070 0.0000 175.5320 109 K 4.0318 8.2603 122.1135 59.1255 32.1661 179.0021 110 L 4.2904 8.1262 119.2460 57.9853 41.7245 179.3334 111 I 3.1238 7.9956 119.9482 64.3866 36.8827 177.9052 112 Y 3.7731 8.2779 120.3141 60.7345 38.5866 177.6568 113 Q 3.9663 8.2337 119.0797 58.9899 28.7859 179.3633 114 W 4.0327 8.4405 128.8581 60.5261 30.8512 177.8349 115 V 2.8715 8.1291 118.4299 66.5005 30.7900 177.4282 116 S 3.8813 8.0250 115.7850 61.3869 62.4458 176.8699 117 R 3.9456 8.1541 123.5649 59.2693 30.1191 178.0860 118 S 3.9135 7.7072 110.7376 58.0206 63.6452 173.6908 119 G 3.7140 7.8962 109.4943 47.6015 0.0000 174.0875 120 Q 4.5510 7.7939 112.5273 55.0065 30.0974 176.2701 121 N 4.5492 7.7640 116.3673 54.2233 37.7472 175.5020 122 N 4.5404 9.0408 116.2876 53.5769 38.2457 175.2729 123 S 4.3670 7.6079 112.3748 57.3753 63.3802 172.3804 124 V 4.5164 7.9024 125.6411 61.5324 32.7654 174.8325 125 F 5.2615 9.3496 126.7338 55.7722 42.4498 175.3162 126 T 4.6376 8.9786 112.3644 61.3663 69.8499 175.8155 127 L 4.0812 8.6337 122.8129 58.1227 41.5473 179.1274 128 Y 4.0117 8.1887 119.2548 60.8928 38.5735 178.0885 129 E 4.0238 8.6877 118.1633 59.1131 29.5865 178.9799 130 L 3.9610 7.5873 118.9773 57.0663 41.8993 178.4168 131 T 4.4148 7.4495 107.4980 61.6859 69.5640 175.2739 132 N 4.7711 7.8399 116.3556 52.3622 40.8167 174.4191 133 G 3.9875 7.5767 108.6635 44.0388 0.0000 175.0369 134 E 3.9905 8.8005 119.8922 59.3602 29.7121 178.7383 135 D 4.5472 8.2700 116.5871 57.1973 41.1457 177.3930 136 T 3.7131 7.4054 110.5764 62.2179 68.2005 176.4409 137 E 3.3710 7.8553 120.8122 59.7993 29.4054 178.2905 138 D 4.2959 7.7161 115.7598 55.9538 41.9658 175.7581 139 E 4.0721 7.8707 120.3700 54.9629 30.3839 176.9671 140 E 4.0117 8.3307 122.6502 59.2675 29.8724 178.1666 141 F 4.2690 7.2747 111.4518 56.8996 38.5374 174.7222 142 H 4.0745 7.2102 122.2765 57.7800 29.8833 175.5730 143 G 3.7565 8.3846 114.3781 45.1254 0.0000 173.5864 144 L 3.7587 7.2273 121.9574 54.4367 42.7314 177.0640 145 D 4.4470 8.2370 125.0635 53.2303 41.3927 177.1079 146 E 3.8343 8.7137 121.7794 59.4289 29.7752 179.1395 147 A 3.9647 7.8679 120.2892 55.5527 18.4895 179.6535 148 T 3.8583 8.0441 114.2451 66.3729 68.4644 176.5954 149 L 3.7574 7.8708 122.4806 58.3608 41.9095 179.0300 150 L 3.9826 7.9109 119.8796 57.9306 42.0627 179.1508 151 R 3.9283 7.9265 117.6967 59.0916 29.8884 178.7922 152 A 4.3331 8.1803 120.7835 55.2133 18.4152 179.6284 153 L 4.0895 8.1951 117.4199 57.2222 41.6050 178.3703 154 Q 4.2405 7.7376 116.6678 56.7698 29.4032 176.2940 155 A 4.4488 7.5607 119.6541 54.6340 19.7902 179.2945 156 L 3.9381 7.6186 117.8345 57.8989 41.7469 179.2904 157 Q 4.7629 8.4841 121.2584 58.8610 28.6484 178.5672 158 Q 4.0040 7.5856 117.9125 58.3681 28.7968 177.3101 159 E 4.2487 7.8582 116.6223 55.7979 29.4893 175.9208 160 H 4.1879 7.2885 113.8278 56.9086 27.1891 175.6306 161 K 4.6051 8.2519 118.4862 57.2698 33.3027 176.1770 162 A 5.2713 7.8590 120.6607 50.6812 23.2916 174.5549 163 E 4.9553 9.1544 119.9151 54.5262 33.1418 174.6622 164 I 4.4671 8.5447 128.0288 61.2123 38.2459 175.2272 165 I 4.6776 8.7681 127.9447 59.5442 40.0659 174.5095 166 T 4.9703 8.5809 116.4423 60.0207 71.0992 173.6823 167 V 4.5523 8.7032 118.2930 58.7167 35.4548 176.5361 168 S 4.1003 8.7957 115.1831 61.5115 62.3205 175.3263 169 D 4.8265 8.9700 117.1439 51.9940 41.2250 176.6527 170 G 3.9021 6.4163 107.5654 45.7474 0.0000 171.6202 171 R 5.0841 7.5285 117.1016 55.0385 34.4224 175.5707 172 G 4.5699 8.5804 105.6879 47.4437 0.0000 172.2341 173 V 4.7998 8.1994 116.8083 60.6379 35.0843 172.1729 174 K 4.9136 8.4456 124.9251 53.9724 34.4531 174.9075 175 F 5.1841 8.5788 125.0192 56.0405 41.8731 175.8521 176 F 4.6887 8.9874 119.1910 57.8257 39.0715 175.1479 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 102 R 8.25 4.15 0.00 1.60 1.69 0.00 2.21 0.00 0.00 2.64 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 103 R 7.87 4.13 0.00 2.00 1.91 0.00 3.16 0.00 0.00 3.31 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 104 P 0.00 4.55 0.00 2.22 2.18 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 105 E 8.25 4.03 0.00 1.98 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 2.42 2.36 0.00 106 E 8.06 4.04 0.00 1.84 1.75 0.00 0.00 0.00 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 2.24 0.00 107 W 8.02 4.76 0.00 3.61 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 0.00 108 G 8.78 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 0.00 109 K 8.26 4.03 0.00 2.11 2.04 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.59 7.81 110 L 8.13 4.29 0.00 2.35 2.18 1.08 0.80 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 0.00 111 I 8.00 3.12 1.71 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 -0.30 -0.09 0.49 0.00 0.00 112 Y 8.28 3.77 0.00 3.15 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 0.00 113 Q 8.23 3.97 0.00 2.56 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 114 W 8.44 4.03 0.00 3.80 3.61 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 0.00 115 V 8.13 2.87 1.36 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 0.51 0.00 0.00 -0.07 0.00 0.00 116 S 8.03 3.88 0.00 3.71 3.61 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 0.00 117 R 8.15 3.95 0.00 1.68 2.14 0.00 3.24 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 118 S 7.71 3.91 0.00 3.41 2.86 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 0.00 0.00 0.00 119 G 7.90 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 0.00 0.00 0.00 120 Q 7.79 4.55 0.00 1.85 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.87 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 121 N 7.76 4.55 0.00 2.93 3.05 0.00 0.00 6.26 6.96 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 0.00 122 N 9.04 4.54 0.00 2.88 3.10 0.00 0.00 6.90 7.27 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 0.00 123 S 7.61 4.37 0.00 3.94 3.63 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 0.00 124 V 7.90 4.52 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 0.84 0.00 0.00 0.89 0.00 0.00 125 F 9.35 5.26 0.00 3.17 3.07 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 0.00 126 T 8.98 4.64 4.36 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 0.00 0.00 0.00 1.27 0.00 0.00 127 L 8.63 4.08 0.00 1.81 1.78 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 8.19 4.01 0.00 3.06 2.97 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 0.00 129 E 8.69 4.02 0.00 2.40 2.40 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 2.78 2.70 0.00 130 L 7.59 3.96 0.00 1.90 1.64 0.98 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 131 T 7.45 4.41 4.11 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 1.19 0.00 0.00 132 N 7.84 4.77 0.00 1.44 2.10 0.00 0.00 6.89 7.69 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 0.00 133 G 7.58 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 0.00 134 E 8.80 3.99 0.00 2.04 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 2.39 2.35 0.00 135 D 8.27 4.55 0.00 2.90 3.19 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 0.00 136 T 7.41 3.71 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 1.27 0.00 0.00 137 E 7.86 3.37 0.00 2.04 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 2.12 2.18 0.00 138 D 7.72 4.30 0.00 2.56 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 0.00 139 E 7.87 4.07 0.00 1.33 1.12 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 0.00 1.47 1.52 0.00 140 E 8.33 4.01 0.00 2.19 2.23 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 2.32 2.31 0.00 141 F 7.27 4.27 0.00 2.96 3.35 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 0.00 142 H 7.21 4.07 0.00 3.11 3.15 0.00 5.81 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 0.00 143 G 8.38 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 0.00 144 L 7.23 3.76 0.00 1.52 1.26 0.06 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 145 D 8.24 4.45 0.00 2.86 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 0.00 146 E 8.71 3.83 0.00 2.04 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 2.36 2.38 0.00 147 A 7.87 3.96 1.31 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 0.00 0.00 148 T 8.04 3.86 4.20 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 1.20 0.00 0.00 149 L 7.87 3.76 0.00 1.69 1.81 0.76 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.91 3.98 0.00 2.09 1.63 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 151 R 7.93 3.93 0.00 2.08 1.99 0.00 3.36 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 152 A 8.18 4.33 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.20 4.09 0.00 1.69 1.68 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 154 Q 7.74 4.24 0.00 1.96 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 155 A 7.56 4.45 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 L 7.62 3.94 0.00 1.92 1.79 1.22 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 157 Q 8.48 4.76 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 158 Q 7.59 4.00 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.10 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 159 E 7.86 4.25 0.00 1.82 1.89 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 2.26 2.52 0.00 160 H 7.29 4.19 0.00 3.26 3.25 0.00 5.64 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 K 8.25 4.61 0.00 1.62 1.30 0.00 1.26 0.00 0.00 0.61 0.00 0.00 2.72 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.83 1.32 7.81 162 A 7.86 5.27 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 163 E 9.15 4.96 0.00 2.27 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 2.25 2.49 0.00 164 I 8.54 4.47 1.86 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 1.32 0.90 0.90 0.00 0.00 165 I 8.77 4.68 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 1.29 0.90 0.92 0.00 0.00 166 T 8.58 4.97 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 0.00 167 V 8.70 4.55 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 0.91 0.00 0.00 1.00 0.00 0.00 168 S 8.80 4.10 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 0.00 169 D 8.97 4.83 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 0.00 170 G 6.42 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 0.00 171 R 7.53 5.08 0.00 1.74 1.88 0.00 3.17 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 172 G 8.58 4.57 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 0.00 173 V 8.20 4.80 1.93 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 0.55 0.00 0.00 0.34 0.00 0.00 174 K 8.45 4.91 0.00 1.72 1.42 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.47 0.98 7.81 175 F 8.58 5.18 0.00 3.12 3.10 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 0.00 0.00 0.00 176 F 8.99 4.69 0.00 2.99 2.99 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