NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 80 D 4.5793 8.2185 120.5330 54.3862 43.4520 177.1848 81 A 3.8349 8.2149 120.9694 54.6302 18.1214 176.0802 82 E 4.0302 8.3993 117.4997 59.6025 30.0152 176.2044 83 E 4.0017 8.0978 119.6687 58.3666 29.7399 177.6413 84 E 3.9089 8.9267 119.3265 59.6769 29.7624 179.5134 85 L 4.1777 8.4233 118.9800 57.8092 41.6967 179.4406 86 K 4.0143 8.2752 119.7958 59.3620 32.0885 178.3490 87 E 3.8447 9.1084 120.1646 59.2762 29.6598 178.3688 88 A 3.5620 8.2351 120.9844 55.1722 18.3240 179.2229 89 F 3.6540 8.3450 118.9203 61.3628 39.2274 177.2620 90 K 3.9440 8.0042 118.0733 59.3227 31.9602 178.7470 91 V 3.5808 6.9790 117.9266 65.9790 31.5448 177.8294 92 F 4.4864 6.7059 116.1485 59.9795 39.9926 176.6947 93 D 4.8991 7.8176 120.5359 52.4463 37.0824 176.3817 94 K 3.8745 7.8137 124.2596 60.0183 32.6468 177.1212 95 D 4.4428 9.3242 116.5624 54.8766 40.8043 175.9772 96 Q 3.6062 8.7208 120.5027 57.0069 27.9678 173.3165 97 N 4.7090 8.6598 110.2627 52.1124 37.6496 175.9535 98 G 4.2125 9.7823 108.4456 46.0188 0.0000 173.3611 99 Y 4.8754 8.8222 117.0698 56.1396 41.6472 175.2084 100 I 4.3191 8.6185 125.2669 60.8579 38.6016 175.5986 101 S 4.8891 8.7843 121.1637 57.0352 65.1405 174.9043 102 A 3.9799 8.7911 122.9859 55.7953 18.0381 180.2930 103 S 4.0628 8.0464 112.8497 61.8731 62.8065 176.6758 104 E 4.0019 8.1266 121.2618 59.1888 29.0858 179.1758 105 L 3.7995 7.9835 120.4664 58.0345 42.1797 179.1697 106 R 3.8597 8.1314 118.1295 59.6607 30.0781 178.3032 107 H 4.1623 8.2294 117.8726 59.4663 29.6516 177.3155 108 V 3.4951 7.6172 119.6726 66.2141 31.3321 177.7979 109 M 3.9840 8.0876 118.5766 58.5521 31.7069 178.8803 110 I 3.7139 7.8302 119.8048 64.3695 37.0642 177.9414 111 N 4.2793 7.8929 116.7969 56.5712 38.8630 176.1861 112 L 4.3001 7.9272 117.9702 54.8872 41.8347 177.6855 113 G 3.9099 8.1652 107.5207 45.7553 0.0000 173.0489 114 E 4.6749 8.4594 118.6993 53.8261 31.9402 176.0442 115 K 4.4108 8.4166 121.0529 55.3288 34.5508 175.7098 116 L 4.6296 8.1931 123.3634 52.9504 44.0413 177.0590 117 T 4.1662 7.9908 116.6078 63.3809 70.4232 175.5308 118 D 4.3719 8.5581 122.3051 57.8064 40.8432 179.0880 119 E 4.1558 8.1257 118.5238 59.1356 29.4762 179.2105 120 E 3.9093 7.9291 118.3633 59.3480 29.7129 179.2609 121 V 3.5568 7.8647 118.2548 66.0405 31.6455 177.4957 122 E 3.9351 8.6182 119.4402 59.5893 29.3044 178.8992 123 Q 4.0205 8.1486 118.0468 58.9645 28.6640 178.3086 124 M 3.9818 8.0565 119.3074 58.6124 32.2044 178.3366 125 I 3.7298 7.8837 119.8999 64.3976 37.1035 178.6236 126 K 3.9761 7.8089 117.8233 59.5099 31.9840 178.8092 127 E 4.0573 8.7732 119.1323 59.1999 29.6327 178.3856 128 A 4.3031 8.5105 120.4985 53.4807 18.5643 177.0752 129 D 4.8127 7.9603 117.9642 54.0613 41.2456 175.7332 130 L 4.2169 9.0831 130.1713 56.7967 42.4337 176.8739 131 D 4.7302 8.6420 115.7800 51.9485 39.5481 175.9243 132 G 4.1828 8.2117 106.0532 46.5934 0.0000 174.5095 133 D 4.3683 9.2005 120.2725 54.3631 39.6009 177.4655 134 G 4.0218 9.2075 108.8781 44.7396 0.0000 173.0995 135 Q 4.7827 8.0907 118.0553 53.8765 31.7928 175.5937 136 V 4.1922 8.4310 123.3969 62.7055 32.6108 175.0743 137 N 4.8544 9.6164 127.6844 52.5416 40.9138 175.1008 138 Y 4.1221 8.6345 122.5132 60.9454 38.5466 178.1445 139 E 3.9895 8.1829 117.8541 59.7270 29.4522 179.0566 140 E 3.9766 8.0755 119.0540 58.7828 29.5050 178.8184 141 F 4.3193 8.8900 121.3380 61.2998 39.5566 177.4315 142 V 3.2706 7.9462 119.0809 64.5659 30.9848 178.0824 143 K 3.7730 7.9941 120.3352 59.4063 32.1931 178.4211 144 M 3.9483 8.5675 119.2372 58.7849 32.0890 177.8230 145 M 3.7711 8.4396 119.5627 58.7423 32.0890 178.1347 146 M 4.0510 8.0967 118.3288 59.1748 32.1388 178.0719 147 T 3.8413 7.6686 115.3762 66.5333 68.5347 176.3946 148 V 3.5613 7.8652 121.6579 65.2293 32.0630 176.3724 149 R 4.0434 8.2058 122.2963 56.6959 31.5349 175.1961 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 80 D 8.22 4.58 0.00 2.74 2.80 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 0.00 0.00 0.00 81 A 8.21 3.83 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.40 4.03 0.00 2.12 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 2.34 2.38 0.00 83 E 8.10 4.00 0.00 2.12 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 2.38 2.43 0.00 84 E 8.93 3.91 0.00 2.11 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 2.36 2.49 0.00 85 L 8.42 4.18 0.00 2.01 1.99 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.28 4.01 0.00 1.84 1.90 0.00 1.48 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.26 7.81 87 E 9.11 3.84 0.00 2.03 2.07 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 2.25 2.30 0.00 88 A 8.24 3.56 1.44 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 0.00 0.00 89 F 8.35 3.65 0.00 3.42 3.30 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 0.00 90 K 8.00 3.94 0.00 1.88 1.94 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.46 7.81 91 V 6.98 3.58 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.83 0.00 0.00 92 F 6.71 4.49 0.00 2.59 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 93 D 7.82 4.90 0.00 2.54 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.81 3.87 0.00 1.76 1.98 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.50 7.81 95 D 9.32 4.44 0.00 2.67 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 96 Q 8.72 3.61 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.11 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 97 N 8.66 4.71 0.00 2.96 2.95 0.00 0.00 6.37 7.20 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 98 G 9.78 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.82 4.88 0.00 2.82 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 0.00 100 I 8.62 4.32 1.77 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.46 0.71 0.00 0.00 101 S 8.78 4.89 0.00 3.91 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 0.00 102 A 8.79 3.98 1.35 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 0.00 0.00 103 S 8.05 4.06 0.00 3.87 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 0.00 104 E 8.13 4.00 0.00 2.23 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 0.00 2.33 2.31 0.00 105 L 7.98 3.80 0.00 1.69 1.80 0.82 0.83 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 0.00 106 R 8.13 3.86 0.00 2.04 1.96 0.00 3.19 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 107 H 8.23 4.16 0.00 3.20 3.46 0.00 5.61 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 0.00 108 V 7.62 3.50 2.07 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 0.72 0.00 0.00 0.87 0.00 0.00 109 M 8.09 3.98 0.00 2.23 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 2.59 2.80 0.00 110 I 7.83 3.71 1.99 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 1.70 1.00 0.92 0.00 0.00 111 N 7.89 4.28 0.00 2.59 2.96 0.00 0.00 7.35 7.41 0.00 0.00 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 L 7.93 4.30 0.00 1.82 1.69 0.99 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.17 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.46 4.67 0.00 1.87 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 2.19 0.00 115 K 8.42 4.41 0.00 1.79 1.75 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.43 7.81 116 L 8.19 4.63 0.00 1.63 1.61 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.99 4.17 4.37 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 1.21 0.00 0.00 118 D 8.56 4.37 0.00 2.68 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 0.00 119 E 8.13 4.16 0.00 2.01 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 2.40 2.40 0.00 120 E 7.93 3.91 0.00 2.31 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 2.39 2.41 0.00 121 V 7.86 3.56 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 0.98 0.00 0.00 0.98 0.00 0.00 122 E 8.62 3.94 0.00 2.16 1.94 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 2.31 2.41 0.00 123 Q 8.15 4.02 0.00 2.38 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 124 M 8.06 3.98 0.00 2.23 2.14 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 2.59 2.59 0.00 125 I 7.88 3.73 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.83 0.94 0.00 0.00 126 K 7.81 3.98 0.00 1.87 1.88 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.15 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.65 7.81 127 E 8.77 4.06 0.00 1.99 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 2.32 2.32 0.00 128 A 8.51 4.30 1.34 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 0.00 129 D 7.96 4.81 0.00 2.82 2.64 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 0.00 0.00 0.00 0.00 130 L 9.08 4.22 0.00 1.64 1.70 0.93 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.64 4.73 0.00 2.84 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 0.00 132 G 8.21 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.20 4.37 0.00 2.76 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 0.00 134 G 9.21 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 0.00 0.00 0.00 135 Q 8.09 4.78 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 136 V 8.43 4.19 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 1.19 0.00 0.00 1.01 0.00 0.00 137 N 9.62 4.85 0.00 2.95 2.74 0.00 0.00 5.19 6.83 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 0.00 138 Y 8.63 4.12 0.00 2.37 2.75 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 0.00 0.00 0.00 139 E 8.18 3.99 0.00 2.27 2.27 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 2.35 2.40 0.00 140 E 8.08 3.98 0.00 2.35 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 2.54 2.42 0.00 141 F 8.89 4.32 0.00 3.19 3.25 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 0.00 142 V 7.95 3.27 1.41 0.00 0.00 0.00 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 0.82 0.00 0.00 143 K 7.99 3.77 0.00 1.91 1.96 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.41 7.81 144 M 8.57 3.95 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 145 M 8.44 3.77 0.00 1.80 1.27 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 146 M 8.10 4.05 0.00 1.92 2.25 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.53 0.00 147 T 7.67 3.84 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 1.18 0.00 0.00 148 V 7.87 3.56 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 0.70 0.00 0.00 0.88 0.00 0.00 149 R 8.21 4.04 0.00 2.02 1.78 0.00 3.33 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00