NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 98 K 4.6320 8.2993 120.0952 56.9823 34.1688 173.8292 99 M 4.8862 9.1423 118.9876 53.6740 35.6167 172.1251 100 F 4.0699 9.5872 121.9430 56.0644 42.8683 175.0581 101 I 4.8503 7.6726 126.8802 59.7177 39.2584 174.5257 102 G 4.3403 8.7256 115.5719 45.3539 0.0000 173.1695 103 G 4.5794 9.0585 113.1208 45.7304 0.0000 173.8688 104 L 4.3324 7.6299 118.8699 53.4415 42.9064 177.2554 105 S 4.3773 8.3773 116.5396 57.4506 62.9490 175.0821 106 W 4.4132 8.8749 135.0000 58.9390 30.4586 175.6702 107 D 5.0069 8.1566 117.5853 54.2816 41.0348 175.8665 108 T 4.5888 7.8388 114.5024 62.6739 69.9461 173.6819 109 T 4.6665 8.5565 111.7294 59.2944 72.0529 174.6262 110 K 4.0598 8.5389 121.0761 58.2425 32.0907 178.3879 111 K 4.0875 7.6086 118.7178 59.6566 32.4532 178.6295 112 D 4.5806 7.9536 118.9270 56.3443 39.1765 178.3552 113 L 4.0543 8.5951 122.0553 57.6178 41.9863 178.6774 114 K 4.0585 7.7887 118.0712 59.5514 32.3451 178.0437 115 D 4.5075 8.7438 118.6216 57.7073 41.0318 177.2216 116 Y 3.7734 7.8381 118.5899 60.7117 39.0328 177.5210 117 F 5.3420 8.3344 116.2720 58.0668 39.2868 177.1288 118 S 4.7757 9.0134 113.8687 59.3051 62.3914 174.5854 119 K 4.0482 7.9354 119.5114 58.4882 32.4040 177.3647 120 F 4.3590 8.2678 116.8269 59.4598 39.6995 175.7529 121 G 4.0368 7.5803 107.0720 46.0063 0.0000 171.7951 122 E 4.6910 8.3218 119.5263 55.6719 31.8583 175.7041 123 V 4.7911 8.1658 120.4773 61.5917 33.8341 175.2604 124 V 4.1528 8.5799 127.1951 64.3870 32.5116 175.2378 125 D 4.7934 7.5220 118.1514 53.2360 45.8660 174.3790 126 C 4.8079 8.2673 115.6453 59.6168 33.6238 173.2657 127 T 4.5184 8.3865 124.0569 62.3522 71.0486 174.3942 128 L 4.5071 8.0500 124.4817 53.9630 44.2005 175.7290 129 K 4.1341 8.6780 131.5349 54.2963 30.8844 176.9886 130 L 4.4596 7.4961 119.6766 54.4127 45.4956 174.3601 131 D 4.4391 8.4845 119.8088 54.4510 40.5055 175.1189 132 P 4.6669 0.0000 0.0000 63.9333 31.9398 176.8090 133 I 4.1075 7.7760 118.8241 62.8847 39.0173 176.3599 134 T 4.3724 7.9931 115.4439 62.9200 68.2541 174.8645 135 G 4.4524 7.5223 106.8511 46.6648 0.0000 174.3645 136 R 4.5084 7.6103 115.8292 55.4265 30.5094 176.8885 137 S 4.1487 8.0901 114.0187 57.7069 62.6194 173.6774 138 R 3.9069 8.3581 126.2495 56.2103 30.2300 177.1919 139 G 3.8843 9.4462 105.8957 45.5801 0.0000 172.2332 140 F 4.9878 6.5439 113.0536 56.2421 41.4533 172.9662 141 G 4.4617 8.8513 105.5601 45.0711 0.0000 171.1205 142 F 4.8881 8.8690 116.7247 55.4907 43.6282 174.6417 143 V 4.4907 8.2085 118.7991 61.1966 35.2343 174.5258 144 L 4.9052 8.5406 126.3040 52.7328 44.3217 176.2575 145 F 4.7865 8.5784 122.5315 57.3144 39.6471 175.2327 146 K 4.4110 9.3162 120.8529 57.2058 32.8569 175.7148 147 E 4.8421 8.1834 119.9042 53.5354 33.2273 176.5050 148 S 4.1367 8.6386 117.2395 61.6419 63.4075 175.9516 149 E 4.6233 8.7239 124.5276 58.3414 29.0808 178.8707 150 S 3.9692 8.1658 114.2693 61.1463 63.1279 176.7299 151 V 2.9684 7.2128 122.2063 65.5606 31.3386 177.4656 152 D 4.3531 8.1468 119.1242 56.7126 38.8302 178.3083 153 K 3.9002 7.8414 120.4467 59.3413 32.0492 179.0373 154 V 3.7959 7.3916 118.9455 64.5955 31.1280 177.0541 155 M 4.2743 7.6055 117.2053 56.6565 32.3459 177.0242 156 D 4.7874 8.4871 119.1993 55.5135 39.6837 175.9876 157 Q 4.3283 7.7735 120.8458 54.3139 30.4736 173.8109 158 K 4.4250 8.6859 124.3341 57.3156 33.1866 178.2767 159 E 4.4063 7.7734 120.0179 56.2111 28.3374 175.0740 160 H 4.9538 7.6381 117.9493 56.6244 31.8764 174.4778 161 K 4.8362 8.3107 114.9783 56.7160 34.4748 174.1730 162 L 4.1780 7.4935 123.3604 54.1859 42.7316 177.4688 163 N 4.0390 9.5387 114.8622 54.1283 36.1598 175.0484 164 G 3.9497 9.4331 104.1593 45.5318 0.0000 173.7244 165 K 4.5899 8.1497 118.0052 54.2780 36.3193 176.9114 166 V 4.5422 8.3235 121.8137 61.4800 32.9953 173.8027 167 I 4.7334 7.9772 112.9443 60.6303 41.0204 174.1394 168 D 4.8555 9.1585 121.7699 51.5995 42.3652 172.1489 169 P 5.4715 0.0000 0.0000 62.0161 32.7544 175.6864 170 K 4.5579 8.3131 120.5967 54.8917 37.2606 175.6916 171 R 4.2629 8.3356 117.8625 56.8929 30.2558 176.8004 172 A 4.3061 8.1340 125.3383 52.9221 18.7369 177.7123 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 98 K 8.30 4.63 0.00 1.70 1.88 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.54 7.81 99 M 9.14 4.89 0.00 1.98 2.19 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.49 0.00 100 F 9.59 4.07 0.00 2.84 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 0.00 101 I 7.67 4.85 1.83 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.63 1.13 0.00 0.00 102 G 8.73 4.34 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 0.00 0.00 0.00 103 G 9.06 4.58 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 0.00 104 L 7.63 4.33 0.00 1.67 1.57 0.91 0.92 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 0.00 105 S 8.38 4.38 0.00 3.91 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 0.00 106 W 8.87 4.41 0.00 3.52 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 0.00 107 D 8.16 5.01 0.00 2.70 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 0.00 108 T 7.84 4.59 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 0.00 109 T 8.56 4.67 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 1.26 0.00 0.00 110 K 8.54 4.06 0.00 1.88 1.84 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.57 7.81 111 K 7.61 4.09 0.00 1.99 1.85 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.45 7.81 112 D 7.95 4.58 0.00 2.95 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 0.00 113 L 8.60 4.05 0.00 1.85 1.82 0.99 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.79 4.06 0.00 1.92 2.07 0.00 1.91 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.48 7.81 115 D 8.74 4.51 0.00 2.93 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 0.00 116 Y 7.84 3.77 0.00 3.02 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.33 5.34 0.00 3.58 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 0.00 118 S 9.01 4.78 0.00 3.94 4.08 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 0.00 119 K 7.94 4.05 0.00 1.45 1.07 0.00 1.45 0.00 0.00 0.98 0.00 0.00 2.28 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.05 1.18 7.81 120 F 8.27 4.36 0.00 3.25 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 0.00 121 G 7.58 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.32 4.69 0.00 2.03 1.96 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 0.00 2.41 2.37 0.00 123 V 8.17 4.79 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 0.77 0.00 0.00 0.60 0.00 0.00 124 V 8.58 4.15 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 0.90 0.00 0.00 0.96 0.00 0.00 125 D 7.52 4.79 0.00 2.55 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.27 4.81 0.00 2.87 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 0.00 127 T 8.39 4.52 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 1.12 0.00 0.00 128 L 8.05 4.51 0.00 1.59 1.51 1.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.68 4.13 0.00 1.51 0.81 0.00 1.42 0.00 0.00 1.48 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.02 1.21 7.81 130 L 7.50 4.46 0.00 1.48 1.66 0.58 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.48 4.44 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 0.00 132 P 0.00 4.67 0.00 2.04 2.29 0.00 3.82 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.16 0.00 133 I 7.78 4.11 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 1.39 1.66 0.92 0.00 0.00 134 T 7.99 4.37 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 1.22 0.00 0.00 135 G 7.52 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 0.00 0.00 0.00 0.00 136 R 7.61 4.51 0.00 1.76 2.02 0.00 3.23 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 137 S 8.09 4.15 0.00 3.08 4.09 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 0.00 0.00 0.00 0.00 138 R 8.36 3.91 0.00 1.18 0.66 0.00 3.16 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.52 0.00 139 G 9.45 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.54 4.99 0.00 3.27 3.24 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 0.00 141 G 8.85 4.46 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 0.00 0.00 0.00 142 F 8.87 4.89 0.00 2.82 2.85 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 0.00 143 V 8.21 4.49 1.55 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 -0.36 0.00 0.00 0.48 0.00 0.00 144 L 8.54 4.91 0.00 1.59 1.51 0.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 145 F 8.58 4.79 0.00 3.00 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 0.00 146 K 9.32 4.41 0.00 1.79 1.91 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.41 7.81 147 E 8.18 4.84 0.00 1.93 1.73 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 2.20 2.37 0.00 148 S 8.64 4.14 0.00 4.09 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 0.00 149 E 8.72 4.62 0.00 2.27 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 2.36 2.33 0.00 150 S 8.17 3.97 0.00 3.79 4.04 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 0.00 0.00 0.00 151 V 7.21 2.97 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.06 0.00 0.00 152 D 8.15 4.35 0.00 2.95 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 0.00 153 K 7.84 3.90 0.00 1.97 2.01 0.00 1.53 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.61 7.81 154 V 7.39 3.80 1.46 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 0.74 0.00 0.00 -0.12 0.00 0.00 155 M 7.61 4.27 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.67 0.00 156 D 8.49 4.79 0.00 2.86 3.04 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 0.00 0.00 0.00 157 Q 7.77 4.33 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 7.23 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 158 K 8.69 4.43 0.00 1.87 1.86 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.48 7.81 159 E 7.77 4.41 0.00 2.16 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 2.37 2.33 0.00 160 H 7.64 4.95 0.00 3.34 3.55 0.00 5.70 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 K 8.31 4.84 0.00 1.69 1.77 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.21 1.21 7.81 162 L 7.49 4.18 0.00 1.12 0.13 0.76 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 163 N 9.54 4.04 0.00 2.80 2.91 0.00 0.00 6.95 7.62 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 0.00 164 G 9.43 3.95 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 0.00 0.00 0.00 165 K 8.15 4.59 0.00 1.72 1.64 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.38 7.81 166 V 8.32 4.54 2.11 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 0.83 0.00 0.00 0.99 0.00 0.00 167 I 7.98 4.73 1.97 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.62 1.02 0.00 0.00 168 D 9.16 4.86 0.00 2.76 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.47 0.00 2.06 1.98 0.00 3.36 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.63 0.00 170 K 8.31 4.56 0.00 1.57 1.65 0.00 1.55 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.24 7.81 171 R 8.34 4.26 0.00 1.79 1.94 0.00 3.36 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 172 A 8.13 4.31 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00