NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.5261 8.3049 120.3336 55.1568 33.4413 174.5125 102 K 4.4780 8.4399 121.0675 54.0079 34.6905 174.8247 103 K 4.6301 9.0265 121.8131 56.7749 34.4907 175.2990 104 Y 4.7602 8.9735 120.0523 56.3951 41.8554 174.5752 105 T 5.2239 8.9438 116.6262 60.2205 71.4268 172.4156 106 C 3.3723 8.8449 129.1227 58.8395 31.8553 174.4832 107 K 3.9763 8.8688 126.8385 59.2495 31.7508 179.0085 108 I 3.9190 7.8255 120.5742 63.7028 37.3318 176.4597 109 C 4.6160 7.9835 110.5796 57.2024 30.9436 174.7904 110 G 3.8999 8.3271 108.7311 44.9822 0.0000 173.0274 111 Y 4.2404 7.8470 121.0325 58.4386 39.9430 174.8992 112 I 4.7187 7.4772 126.2110 59.6756 39.0793 174.4784 113 Y 4.2892 9.2949 130.2157 57.0324 40.0313 173.6129 114 N 4.8376 7.8807 126.6431 50.9323 40.3654 173.4090 115 P 4.1878 0.0000 0.0000 65.6125 31.6021 178.4877 116 E 4.1231 8.2219 118.0026 58.6875 29.5155 177.5437 117 D 4.4552 7.9718 117.7511 53.8185 41.9182 178.0907 118 G 4.1458 7.6914 106.7351 44.9570 0.0000 172.1748 119 D 5.0502 8.5833 112.3287 52.1890 41.3373 175.4319 120 P 4.4735 0.0000 0.0000 65.8139 32.0756 178.6635 121 D 4.6357 8.1602 116.0191 55.4966 40.9747 176.1893 122 N 4.8747 8.5162 116.2450 52.9738 38.9426 175.3783 123 G 3.8255 8.5742 105.7087 45.3962 0.0000 173.9957 124 V 4.1392 7.5751 119.6495 60.6748 32.2381 174.9323 125 N 4.8811 8.3886 125.0000 51.8263 39.3807 173.1423 126 P 4.3324 0.0000 0.0000 64.8264 31.7400 177.0610 127 G 3.9330 9.4148 110.5867 45.4940 0.0000 173.3837 128 T 4.1970 7.4031 116.9481 62.2764 69.1985 174.4260 129 D 4.5549 8.5068 126.3341 53.8020 42.4363 176.3213 130 F 3.2202 8.4788 126.3290 61.2956 38.8718 177.4103 131 K 3.6384 7.8947 117.2698 59.4203 31.9513 177.2740 132 D 4.4885 7.5336 115.7213 53.2867 41.5029 176.9244 133 I 3.3375 6.2501 121.3278 60.3460 37.6286 174.2282 134 P 4.1659 0.0000 0.0000 63.2716 31.5682 176.7644 135 D 4.5429 8.6041 120.6809 55.5244 40.8499 176.4738 136 D 4.7428 7.7549 117.8044 52.5201 40.1945 176.5533 137 W 4.2370 8.2021 130.5058 57.7845 31.2125 175.1524 138 V 4.3002 6.7318 115.3682 58.6823 35.1061 175.1378 139 C 3.5608 8.4740 122.4266 59.1563 31.5702 172.9642 140 P 4.1672 0.0000 0.0000 64.4503 31.5604 177.4353 141 I 3.9762 7.4082 119.8384 63.5011 37.5242 176.3411 142 C 4.4912 7.9778 110.8913 57.4036 30.5977 174.6551 143 G 3.7724 8.1882 108.7340 45.1309 0.0000 173.8431 144 A 4.1180 7.5357 122.9064 51.2735 19.1932 175.8153 145 P 4.8313 0.0000 0.0000 61.9590 32.4436 177.7963 146 K 4.3507 8.8877 119.1377 59.8046 32.0346 179.6562 147 S 4.3528 8.3008 112.0943 60.7518 63.1083 174.5772 148 E 4.4441 8.8465 120.2195 56.5990 29.4903 175.5559 149 F 5.2889 8.4751 118.4074 56.2835 41.1162 174.9717 150 E 4.8881 9.0354 117.6904 54.4452 33.2839 174.2943 151 E 3.3374 8.6040 122.2792 55.6970 30.5504 176.8482 152 V 3.6555 7.8643 124.9853 63.2060 31.5075 175.5926 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 4.53 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 102 K 8.44 4.48 0.00 1.82 1.59 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.63 7.81 103 K 9.03 4.63 0.00 1.64 1.69 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.44 7.81 104 Y 8.97 4.76 0.00 2.71 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 8.94 5.22 4.23 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 0.00 0.00 1.21 0.00 0.00 106 C 8.84 3.37 0.00 2.40 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 0.00 107 K 8.87 3.98 0.00 1.67 1.82 0.00 1.75 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.50 7.81 108 I 7.83 3.92 1.82 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 1.42 0.73 0.89 0.00 0.00 109 C 7.98 4.62 0.00 3.05 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 0.00 110 G 8.33 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 0.00 111 Y 7.85 4.24 0.00 3.21 3.01 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 0.00 112 I 7.48 4.72 1.66 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 0.93 0.81 0.00 0.00 113 Y 9.29 4.29 0.00 3.55 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.88 4.84 0.00 2.62 2.58 0.00 0.00 6.83 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.19 0.00 2.30 2.56 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.22 0.00 116 E 8.22 4.12 0.00 2.05 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 0.00 2.33 2.25 0.00 117 D 7.97 4.46 0.00 2.71 2.70 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 0.00 118 G 7.69 4.15 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 0.00 0.00 0.00 119 D 8.58 5.05 0.00 3.24 2.89 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 0.00 120 P 0.00 4.47 0.00 2.30 2.34 0.00 3.86 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 121 D 8.16 4.64 0.00 2.75 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 0.00 122 N 8.52 4.87 0.00 3.10 2.88 0.00 0.00 7.62 6.97 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 0.00 123 G 8.57 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 0.00 124 V 7.58 4.14 2.32 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 1.04 0.00 0.00 0.63 0.00 0.00 125 N 8.39 4.88 0.00 2.88 2.72 0.00 0.00 7.04 8.04 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 0.00 126 P 0.00 4.33 0.00 2.04 2.22 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.30 0.00 127 G 9.41 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 0.00 0.00 0.00 128 T 7.40 4.20 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 1.04 0.00 0.00 129 D 8.51 4.55 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.48 3.22 0.00 2.62 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 0.00 0.00 0.00 131 K 7.89 3.64 0.00 1.75 1.77 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.49 7.81 132 D 7.53 4.49 0.00 2.65 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 0.00 133 I 6.25 3.34 0.87 0.00 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 -0.21 -0.11 0.00 0.00 134 P 0.00 4.17 0.00 2.14 1.94 0.00 3.40 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 2.06 2.04 0.00 135 D 8.60 4.54 0.00 2.62 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 0.00 136 D 7.75 4.74 0.00 2.77 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 0.00 137 W 8.20 4.24 0.00 3.10 3.03 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 0.00 0.00 0.00 0.00 138 V 6.73 4.30 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 0.71 0.00 0.00 0.62 0.00 0.00 139 C 8.47 3.56 0.00 3.18 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 0.00 140 P 0.00 4.17 0.00 2.04 1.96 0.00 2.86 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.66 0.00 141 I 7.41 3.98 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.00 0.93 0.00 0.00 142 C 7.98 4.49 0.00 3.02 2.98 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 0.00 143 G 8.19 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.54 4.12 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 0.00 145 P 0.00 4.83 0.00 2.29 2.06 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 146 K 8.89 4.35 0.00 1.88 1.96 0.00 1.52 0.00 0.00 1.77 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.72 7.81 147 S 8.30 4.35 0.00 4.07 4.10 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 0.00 148 E 8.85 4.44 0.00 2.27 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 2.38 2.47 0.00 149 F 8.48 5.29 0.00 3.16 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 0.00 150 E 9.04 4.89 0.00 1.98 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 2.20 0.00 151 E 8.60 3.34 0.00 1.62 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 1.97 1.73 0.00 152 V 7.86 3.66 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 0.78 0.00 0.00 0.87 0.00 0.00