NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 112 M 4.4340 8.1633 120.3480 54.7786 32.6675 175.8228 113 P 4.0446 0.0000 0.0000 64.2296 31.7133 172.6196 114 V 3.7558 8.0656 116.8805 66.2267 31.7698 177.8574 115 G 3.5832 7.9990 104.6639 47.9732 0.0000 175.7206 116 S 4.1515 8.2404 117.7688 61.1052 62.8107 176.6039 117 L 3.8802 8.4201 123.6232 58.0069 41.7857 178.7309 118 Q 3.9925 8.1146 119.5826 59.3408 28.9278 178.1687 119 E 3.8820 8.1982 119.5590 59.0904 29.4205 178.9364 120 L 3.6152 7.7744 120.1390 58.0092 42.0329 178.7030 121 A 3.7402 7.7801 120.3997 55.3492 17.8784 179.7548 122 V 3.4824 7.8441 116.6410 66.1991 31.3269 178.0361 123 Q 3.8773 7.9665 118.7155 58.8725 28.9924 177.7547 124 K 3.8848 7.8295 118.2715 56.6635 31.9691 177.8571 125 G 3.8629 7.2225 106.2901 45.7714 0.0000 173.5799 126 W 4.9180 7.9568 118.9012 55.0089 30.3299 176.9117 127 R 4.1947 8.3949 119.5933 55.9146 30.1927 177.0338 128 L 4.2331 8.2775 120.3767 54.1744 42.3030 175.5105 129 P 4.5177 0.0000 0.0000 63.1414 32.1922 175.4562 130 E 4.7268 9.1285 122.7022 54.7657 32.2421 174.4761 131 Y 5.3109 8.7881 121.8854 56.4048 40.6345 175.2584 132 T 4.7519 8.7831 113.1007 59.7994 72.8004 173.2114 133 V 4.3635 8.5601 124.0874 62.8864 31.3608 175.3088 134 A 4.4586 9.0549 131.0979 53.8676 19.7826 176.8281 135 Q 4.6030 7.6707 113.6038 55.4524 32.5945 172.9236 136 E 4.8241 8.6356 123.7633 54.7695 33.3064 174.7185 137 S 4.3190 8.5916 118.2115 57.8969 67.1915 174.4060 138 G 4.2242 8.6951 105.3695 44.2876 0.0000 171.2799 139 P 4.4408 0.0000 0.0000 61.5516 31.9929 175.5293 140 P 4.2319 0.0000 0.0000 66.0074 31.2021 177.2439 141 H 4.6305 8.0251 110.1007 56.0900 29.5783 175.5978 142 K 4.5694 7.4848 120.6713 55.6949 32.7062 174.8758 143 R 4.4467 7.5192 119.8339 55.9487 32.1209 177.0561 144 E 4.8550 8.6207 120.7015 54.7025 33.4201 174.0683 145 F 5.3207 9.4725 124.4994 55.9453 43.1946 174.1516 146 T 5.1392 9.0843 118.1513 61.9266 71.8360 173.0322 147 I 5.0924 9.3745 126.9908 59.8428 41.0126 174.4888 148 T 4.9403 9.2096 123.0221 62.1419 70.9282 173.0529 149 C 4.8778 9.4065 126.9388 57.6051 34.0359 172.4776 150 R 5.2662 8.6098 125.8798 54.2995 32.9884 175.3827 151 V 4.5196 8.6530 122.5384 61.5285 35.2652 174.0412 152 E 3.2476 9.0162 125.1542 57.7023 29.2718 174.6973 153 T 4.2114 6.7948 107.5350 61.3767 67.9802 172.6416 154 F 4.7488 8.4994 119.5628 56.4457 40.7525 174.9682 155 V 4.9277 8.0936 122.4639 61.7839 34.2376 173.8255 156 E 5.0165 9.3943 126.3578 54.9762 34.3724 174.2763 157 T 5.1593 8.8750 111.8291 60.1121 71.6233 173.6163 158 G 4.4910 9.2503 110.0437 44.7746 0.0000 171.4753 159 S 5.8709 7.8301 115.4992 55.7084 66.7664 172.8132 160 G 4.1860 8.0806 106.6203 46.3681 0.0000 174.0737 161 T 4.4829 8.9218 109.3999 63.3771 69.2147 174.8043 162 S 4.6300 7.6429 116.4821 55.9036 67.2212 174.7664 163 K 3.7602 7.8113 122.0833 59.4485 31.7689 179.4437 164 Q 3.7936 7.7472 119.3673 59.1171 29.1175 178.2718 165 V 3.5351 7.7432 119.0124 65.9916 31.5652 177.6773 166 A 4.0400 8.3813 120.9575 55.1614 18.1910 179.5288 167 K 3.9079 8.0740 118.0913 59.5618 32.1626 179.0731 168 R 3.8729 7.8877 118.8426 59.3812 29.9701 178.6898 169 V 3.5772 8.0293 117.8913 65.9206 31.5455 177.8216 170 A 4.0291 8.3376 120.4367 55.1636 18.2326 179.5189 171 A 4.0533 8.3068 119.2657 55.3871 18.5171 179.7166 172 E 3.9556 8.4902 117.3076 59.5529 29.4473 179.7840 173 K 4.0359 8.3354 118.6597 59.3398 32.0281 179.1979 174 L 3.9761 7.9944 120.6794 58.1000 41.9977 179.0462 175 L 4.0233 7.9898 119.0564 58.1462 41.3226 179.6574 176 T 3.9563 7.8978 114.8895 66.4010 68.1399 176.4766 177 K 4.1831 8.4180 121.9340 59.0791 31.9716 178.7991 178 F 4.1650 8.0786 120.8359 61.1099 39.3875 177.1485 179 K 3.8587 8.0951 116.9031 58.9924 31.8602 177.7401 180 T 4.2356 7.2727 119.4061 63.7222 68.6373 174.2551 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 112 M 8.16 4.43 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.66 0.00 113 P 0.00 4.04 0.00 2.30 2.10 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.20 0.00 114 V 8.07 3.76 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.81 0.00 0.00 115 G 8.00 3.58 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 0.00 0.00 0.00 116 S 8.24 4.15 0.00 4.03 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 0.00 117 L 8.42 3.88 0.00 1.73 1.87 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 118 Q 8.11 3.99 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 119 E 8.20 3.88 0.00 2.16 1.92 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 2.29 2.38 0.00 120 L 7.77 3.62 0.00 1.61 1.64 0.36 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.78 3.74 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.84 3.48 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 0.95 0.00 0.00 0.98 0.00 0.00 123 Q 7.97 3.88 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 124 K 7.83 3.88 0.00 0.79 0.74 0.00 1.54 0.00 0.00 1.43 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.81 0.21 7.81 125 G 7.22 3.86 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 0.00 0.00 0.00 126 W 7.96 4.92 0.00 3.38 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 0.00 127 R 8.39 4.19 0.00 1.83 1.90 0.00 3.23 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 128 L 8.28 4.23 0.00 1.67 1.66 0.95 1.07 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 0.00 129 P 0.00 4.52 0.00 1.95 1.77 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 130 E 9.13 4.73 0.00 1.76 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 0.00 2.21 2.21 0.00 131 Y 8.79 5.31 0.00 2.79 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 0.00 132 T 8.78 4.75 4.28 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 1.24 0.00 0.00 133 V 8.56 4.36 2.15 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 0.97 0.00 0.00 0.99 0.00 0.00 134 A 9.05 4.46 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 0.00 135 Q 7.67 4.60 0.00 2.14 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 136 E 8.64 4.82 0.00 1.79 1.63 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 2.52 2.41 0.00 137 S 8.59 4.32 0.00 3.77 3.85 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 0.00 138 G 8.70 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 0.00 0.00 0.00 139 P 0.00 4.44 0.00 2.05 2.14 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 140 P 0.00 4.23 0.00 2.11 2.21 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 141 H 8.03 4.63 0.00 3.29 3.42 0.00 5.53 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 0.00 142 K 7.48 4.57 0.00 1.64 1.58 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.40 7.81 143 R 7.52 4.45 0.00 1.83 1.46 0.00 3.52 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.64 0.00 144 E 8.62 4.86 0.00 1.90 1.59 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 2.18 2.28 0.00 145 F 9.47 5.32 0.00 3.04 2.94 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 0.00 146 T 9.08 5.14 4.28 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 1.28 0.00 0.00 147 I 9.37 5.09 1.97 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 1.31 0.95 1.16 0.00 0.00 148 T 9.21 4.94 4.26 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 1.24 0.00 0.00 149 C 9.41 4.88 0.00 2.89 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 0.00 150 R 8.61 5.27 0.00 1.67 1.72 0.00 3.15 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 151 V 8.65 4.52 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 0.66 0.00 0.00 1.10 0.00 0.00 152 E 9.02 3.25 0.00 1.16 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 1.47 0.00 153 T 6.79 4.21 3.86 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 0.52 0.00 0.00 154 F 8.50 4.75 0.00 3.05 2.95 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 0.00 0.00 0.00 155 V 8.09 4.93 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 0.90 0.00 0.00 156 E 9.39 5.02 0.00 1.91 1.79 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 2.29 2.41 0.00 157 T 8.87 5.16 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 0.00 158 G 9.25 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.83 5.87 0.00 3.90 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 0.00 160 G 8.08 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 0.00 0.00 0.00 0.00 161 T 8.92 4.48 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 1.24 0.00 0.00 162 S 7.64 4.63 0.00 3.90 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 0.00 163 K 7.81 3.76 0.00 1.49 1.70 0.00 1.38 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.09 0.21 7.81 164 Q 7.75 3.79 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 165 V 7.74 3.54 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 0.97 0.00 0.00 0.93 0.00 0.00 166 A 8.38 4.04 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 0.00 167 K 8.07 3.91 0.00 1.81 1.86 0.00 1.24 0.00 0.00 1.25 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.99 0.65 7.81 168 R 7.89 3.87 0.00 2.06 2.06 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.62 0.00 169 V 8.03 3.58 2.26 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 1.06 0.00 0.00 1.01 0.00 0.00 170 A 8.34 4.03 1.56 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 0.00 0.00 171 A 8.31 4.05 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 E 8.49 3.96 0.00 2.18 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 0.00 2.35 2.64 0.00 173 K 8.34 4.04 0.00 1.99 1.90 0.00 1.95 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.67 7.81 174 L 7.99 3.98 0.00 1.88 1.76 0.95 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 175 L 7.99 4.02 0.00 1.94 1.75 0.93 0.72 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 0.00 176 T 7.90 3.96 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 177 K 8.42 4.18 0.00 1.99 2.08 0.00 1.75 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.75 1.57 7.81 178 F 8.08 4.16 0.00 2.61 3.08 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 0.00 0.00 0.00 0.00 179 K 8.10 3.86 0.00 1.77 1.83 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.81 7.81 180 T 7.27 4.24 4.45 0.00 0.00 0.00 0.00 0.00 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