NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 81 P 4.3284 0.0000 0.0000 64.3928 32.9279 175.7889 82 L 3.3658 7.5170 116.9483 51.9655 42.1036 175.8584 83 K 3.6742 8.5936 123.4009 60.0103 33.4309 177.7686 84 N 4.2542 8.0368 112.2076 54.0278 36.9431 174.7771 85 L 4.3382 8.2478 118.5828 55.3538 42.9362 176.1190 86 V 4.3648 7.3217 120.2615 61.9288 31.3636 175.6810 87 L 4.2844 9.1323 129.4425 56.6340 42.4028 176.4718 88 D 4.4799 7.8114 117.0489 54.3549 44.6543 175.4378 89 I 4.7561 8.2070 122.5301 60.6155 40.7772 173.4860 90 D 5.2600 9.4361 126.9998 53.0428 45.4498 172.7048 91 Y 4.6578 7.7059 116.1991 58.2088 39.5142 172.4172 92 N 4.2554 8.2026 115.4205 52.8953 40.5929 174.3738 93 D 3.9537 8.8709 117.0348 55.8610 39.0327 177.3384 94 A 4.5180 7.6441 120.2031 52.5489 21.0712 176.3168 95 V 4.6021 8.2074 107.2935 59.9019 36.9506 174.6221 96 V 4.7204 8.8263 122.8626 61.4639 33.3480 174.6095 97 V 4.9741 8.9161 128.2707 60.7046 34.0497 174.4899 98 I 5.1179 8.1918 125.6029 59.9057 41.7128 173.9620 99 H 5.4824 9.0066 120.6505 54.4867 32.8956 172.9921 100 T 5.0614 9.0200 113.0616 59.4822 72.5045 173.2070 101 S 4.5520 9.5187 118.1551 58.5684 63.3929 171.5633 102 P 4.0841 0.0000 0.0000 63.2641 30.6371 175.7346 103 G 3.9506 8.4374 112.0057 45.5485 0.0000 174.3707 104 A 4.1430 8.4710 121.1807 54.3588 18.3619 179.2074 105 A 3.8198 7.8671 119.0131 55.8339 18.5516 179.4500 106 Q 3.9650 8.0286 116.8468 58.7460 28.7146 178.2496 107 L 3.8903 7.7205 121.3368 58.2016 42.2547 178.8206 108 I 3.8218 8.1148 119.7603 63.9308 37.1032 178.2826 109 A 4.0086 8.3389 122.5580 55.2369 18.0801 179.8112 110 R 3.9271 8.4418 113.7891 59.2656 29.4370 178.6227 111 L 4.1046 7.5522 120.1472 58.0578 42.1193 178.6098 112 L 3.9803 7.9106 118.9816 58.1242 41.4476 179.1425 113 D 4.4553 7.8174 116.5345 56.5028 40.8387 178.2766 114 S 4.3658 8.0239 114.0684 59.8643 63.5369 175.7518 115 L 4.2910 8.6014 123.4698 57.7366 42.4619 177.9752 116 G 4.0238 8.0927 106.5825 45.1222 0.0000 173.0183 117 K 3.7995 9.0163 115.1277 58.9570 32.0218 178.4896 118 A 3.9183 7.7529 119.7143 55.4560 18.3270 178.4266 119 E 4.2775 7.7590 111.6918 56.3174 30.0395 176.9640 120 G 2.5359 7.9867 105.7866 46.1943 0.0000 174.0439 121 I 4.4176 7.2338 122.1144 59.1802 37.7195 176.2948 122 L 4.1019 8.9383 131.1034 57.8299 42.8628 176.6670 123 G 4.2766 7.7924 103.3818 46.1364 0.0000 172.2064 124 T 5.1833 8.0521 114.6960 62.5609 72.7710 173.5949 125 I 4.7649 9.0005 125.9446 59.5519 41.2995 174.3018 126 A 5.1951 8.8230 127.4962 49.1900 21.5589 177.3646 127 G 4.0828 8.4001 109.6007 44.9999 0.0000 174.5636 128 D 4.4931 9.1335 123.0771 55.0032 39.3931 177.1739 129 D 5.5474 7.3647 123.1473 53.1621 40.9184 175.5260 130 T 4.9854 7.0770 110.4503 61.2548 71.6897 173.1732 131 I 4.6451 8.5393 127.5056 60.5189 39.7941 175.6786 132 F 5.1873 9.1512 122.5641 56.8070 42.1959 173.4946 133 T 5.0756 9.0156 119.0705 60.4599 70.5395 172.8521 134 T 4.9705 8.4210 120.3360 59.4106 70.8886 171.4177 135 P 5.5381 0.0000 0.0000 62.7367 32.3061 175.7261 136 A 4.4982 8.3786 123.1296 50.8653 20.5108 176.3840 137 N 4.2516 8.8290 118.3191 55.8799 39.2046 175.0878 138 G 3.8174 9.9097 112.6851 45.2326 0.0000 172.6878 139 F 5.0310 7.8728 116.2783 54.9016 43.2065 174.3858 140 T 4.7324 9.0099 113.7319 59.3050 72.7243 175.7175 141 V 3.6107 8.1233 114.4932 64.5594 31.6248 178.8745 142 K 4.1203 7.8936 117.8516 60.2634 32.2986 178.6144 143 D 4.4649 7.9265 119.9526 57.3339 40.7285 178.1514 144 L 3.9047 8.0685 120.9786 58.0644 41.9378 178.1108 145 Y 4.2726 8.7369 119.9028 60.2925 38.2757 178.1164 146 E 4.3528 8.3130 118.4586 58.6613 29.8944 177.7675 147 A 4.2956 7.8056 118.8752 53.4302 19.3728 179.1203 148 I 3.6493 7.9173 119.1462 63.8625 37.3251 178.0584 149 L 3.7720 6.8908 119.5863 57.4505 41.8416 177.9897 150 E 4.1429 7.4217 117.3948 58.5295 29.7492 177.7523 151 L 4.1399 7.6064 119.7333 57.1403 42.1850 176.5767 152 F 4.6837 8.0306 121.2621 57.5817 39.1715 175.3786 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 81 P 0.00 4.33 0.00 2.14 2.18 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.97 0.00 82 L 7.52 3.37 0.00 1.69 1.64 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.59 3.67 0.00 1.60 1.51 0.00 1.41 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.33 7.81 84 N 8.04 4.25 0.00 2.81 2.93 0.00 0.00 6.00 7.79 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 85 L 8.25 4.34 0.00 1.51 1.68 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.32 4.36 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 0.98 0.00 0.00 0.83 0.00 0.00 87 L 9.13 4.28 0.00 1.69 1.73 0.96 1.02 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 88 D 7.81 4.48 0.00 2.79 2.61 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 89 I 8.21 4.76 1.64 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.55 0.76 0.00 0.00 90 D 9.44 5.26 0.00 2.84 2.60 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 0.00 0.00 0.00 0.00 91 Y 7.71 4.66 0.00 3.03 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 92 N 8.20 4.26 0.00 2.82 3.01 0.00 0.00 7.13 9.28 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 93 D 8.87 3.95 0.00 2.70 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 94 A 7.64 4.52 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.21 4.60 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.46 0.00 0.00 96 V 8.83 4.72 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 1.17 0.00 0.00 1.13 0.00 0.00 97 V 8.92 4.97 2.21 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 1.25 0.00 0.00 1.16 0.00 0.00 98 I 8.19 5.12 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.92 1.10 0.00 0.00 99 H 9.01 5.48 0.00 3.07 3.16 0.00 5.57 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 9.02 5.06 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 1.24 0.00 0.00 101 S 9.52 4.55 0.00 3.88 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 0.00 102 P 0.00 4.08 0.00 2.24 2.02 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 103 G 8.44 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 0.00 104 A 8.47 4.14 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 0.00 105 A 7.87 3.82 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 0.00 106 Q 8.03 3.96 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 107 L 7.72 3.89 0.00 1.74 1.67 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.11 3.82 1.97 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.22 1.06 0.00 0.00 109 A 8.34 4.01 1.37 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 0.00 0.00 0.00 110 R 8.44 3.93 0.00 1.94 2.21 0.00 3.07 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.65 0.00 111 L 7.55 4.10 0.00 1.89 1.88 1.01 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.91 3.98 0.00 1.91 1.72 0.87 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.82 4.46 0.00 2.82 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 0.00 114 S 8.02 4.37 0.00 4.03 4.03 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 0.00 115 L 8.60 4.29 0.00 1.76 1.67 0.87 1.15 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 0.00 116 G 8.09 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 0.00 117 K 9.02 3.80 0.00 1.84 1.96 0.00 2.02 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.45 7.81 118 A 7.75 3.92 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 0.00 119 E 7.76 4.28 0.00 1.87 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 2.24 2.23 0.00 120 G 7.99 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 0.00 0.00 0.00 121 I 7.23 4.42 1.90 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.09 0.87 0.00 0.00 122 L 8.94 4.10 0.00 1.64 1.92 0.94 1.26 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 0.00 123 G 7.79 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 0.00 0.00 0.00 0.00 124 T 8.05 5.18 4.40 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 0.00 0.00 1.24 0.00 0.00 125 I 9.00 4.76 1.96 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 1.20 1.12 0.93 0.00 0.00 126 A 8.82 5.20 1.21 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 0.00 127 G 8.40 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 0.00 0.00 0.00 128 D 9.13 4.49 0.00 2.82 2.92 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 0.00 129 D 7.36 5.55 0.00 2.92 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 0.00 130 T 7.08 4.99 4.14 0.00 0.00 0.00 0.00 0.00 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 0.00 131 I 8.54 4.65 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.49 0.98 0.00 0.00 132 F 9.15 5.19 0.00 2.99 2.93 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 0.00 133 T 9.02 5.08 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 1.24 0.00 0.00 134 T 8.42 4.97 4.17 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 1.20 0.00 0.00 135 P 0.00 5.54 0.00 2.35 2.05 0.00 3.38 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.81 0.00 136 A 8.38 4.50 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 0.00 137 N 8.83 4.25 0.00 2.69 2.80 0.00 0.00 7.25 7.98 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 0.00 138 G 9.91 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 139 F 7.87 5.03 0.00 3.33 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 T 9.01 4.73 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 1.23 0.00 0.00 141 V 8.12 3.61 1.74 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 0.81 0.00 0.00 0.50 0.00 0.00 142 K 7.89 4.12 0.00 2.05 2.05 0.00 1.53 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.58 7.81 143 D 7.93 4.46 0.00 3.10 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 0.00 144 L 8.07 3.90 0.00 1.92 1.69 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 8.74 4.27 0.00 3.24 3.22 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 0.00 146 E 8.31 4.35 0.00 2.41 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 2.39 2.56 0.00 147 A 7.81 4.30 1.27 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 0.00 0.00 0.00 148 I 7.92 3.65 1.73 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.44 0.26 0.00 0.00 149 L 6.89 3.77 0.00 1.61 1.54 0.54 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 150 E 7.42 4.14 0.00 2.29 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 2.30 2.35 0.00 151 L 7.61 4.14 0.00 1.78 1.71 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 152 F 8.03 4.68 0.00 2.89 2.83 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