NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 T 4.2733 8.1749 115.2463 61.3650 69.5159 173.3334 13 H 4.8491 7.9424 119.3380 53.5811 31.3934 171.9263 14 R 4.9578 8.9612 122.4873 54.7916 32.7128 175.3099 15 V 4.8725 8.3896 122.0488 61.1947 35.3301 173.9959 16 Q 4.9956 9.0897 126.6052 54.4512 33.0781 173.6364 17 I 4.8254 8.9519 126.0272 59.5346 40.7065 173.9144 18 E 5.5724 9.2560 129.4938 53.9864 31.2737 174.0270 19 Y 5.3437 8.1811 125.1624 54.9614 41.2078 175.4366 20 C 4.6705 9.6848 122.9164 57.0873 44.4374 174.1962 21 T 3.9025 8.4774 121.2616 65.5062 66.8216 176.2479 22 Q 4.0253 7.1275 120.4399 58.9371 28.7622 177.4093 23 C 4.1522 7.6280 113.9023 56.1724 40.6773 173.3098 24 R 3.8220 7.6400 118.6948 57.5779 27.7815 177.1639 25 W 5.2417 8.0008 113.6232 56.7139 29.7268 177.4846 26 L 3.3031 8.1286 123.1584 57.5805 41.6350 176.9192 27 P 4.3239 0.0000 0.0000 66.2096 31.0319 178.4155 28 R 4.2620 8.2051 115.0545 58.5511 29.5353 178.5738 29 A 4.1690 8.2663 121.6919 55.1131 18.4027 179.3886 30 A 3.8994 8.4818 119.7394 54.9026 18.3751 179.6973 31 W 4.1011 8.4275 126.8692 60.6285 30.8929 177.9646 32 L 2.8417 7.9064 120.0096 57.6336 41.3435 178.6583 33 A 3.8893 7.9558 120.7629 55.2297 18.2906 179.4417 34 Q 3.8441 7.8867 117.9017 59.1655 29.0592 178.1581 35 E 3.7635 7.8355 119.5981 59.5029 29.4552 179.4746 36 L 4.1235 8.1358 119.2322 57.8250 41.4634 179.6257 37 L 4.1552 8.0941 118.3949 57.6604 41.5785 178.9493 38 T 4.0430 7.6739 112.5449 64.8369 67.3624 176.2264 39 T 3.9470 7.4324 116.5730 64.6666 68.8758 175.4482 40 F 5.2413 8.4436 119.2691 55.9051 39.8631 177.3563 41 E 3.9881 8.5047 121.4272 59.6652 29.3005 177.8242 42 T 4.1336 7.8661 111.7062 63.1720 67.4986 174.2902 43 E 4.5900 8.0924 118.6782 56.2475 31.2642 174.9851 44 L 5.0499 7.6854 119.4604 53.3007 43.2722 176.5259 45 T 4.2477 8.7006 119.0237 64.6829 68.1412 174.1484 46 E 4.9005 7.4127 116.3639 55.6741 32.3209 174.9908 47 L 5.2232 8.6548 122.0001 53.3452 44.7493 175.2178 48 A 4.8691 9.0843 128.0238 50.1448 22.2310 174.9248 49 L 5.0891 8.4912 120.1390 52.9376 43.9495 175.8136 50 K 4.5453 9.0241 126.4971 53.7165 34.2056 173.6023 51 P 3.5363 0.0000 0.0000 62.6315 32.2318 175.9041 52 G 4.0240 8.3209 110.8559 44.9884 0.0000 174.6060 53 T 4.3228 8.7392 120.7648 63.9207 69.3228 177.5655 54 G 4.0604 9.1780 119.0117 45.2947 0.0000 174.0066 55 G 3.9472 8.6568 111.3562 45.8039 0.0000 173.4187 56 V 3.9834 7.4531 121.3806 62.8809 32.9632 175.2945 57 F 5.3053 8.9448 130.1198 57.3452 41.0678 172.4275 58 V 5.1851 8.8149 124.4665 59.4505 35.2730 174.5842 59 V 4.7396 9.0633 122.5845 61.2918 33.9365 174.4734 60 R 5.1363 9.2228 126.5602 54.3294 33.8088 174.8692 61 V 4.4560 8.7149 122.7177 61.1322 34.1740 175.3689 62 D 4.2294 9.4635 130.3047 55.7264 38.5015 174.9874 63 D 4.5851 8.1066 115.3354 54.6423 40.0335 174.3232 64 E 4.4709 7.7302 120.3249 54.2398 30.5403 175.8541 65 V 4.1400 8.3958 124.3392 61.9462 31.8693 175.7791 66 V 4.3214 8.7570 124.6715 62.9305 33.6086 175.5673 67 W 5.8133 7.9061 129.8470 55.7765 34.4239 172.7597 68 D 5.1193 8.3440 125.8531 52.5162 43.5863 175.3286 69 R 4.4237 9.5626 126.8689 59.1161 30.2800 179.6638 70 R 4.5628 7.7088 113.3270 55.6775 29.3048 176.5183 71 E 4.6856 7.9334 117.4345 58.2323 35.5508 174.9854 72 Q 4.1752 8.0260 114.2785 54.3248 30.7413 176.7143 73 G 4.1337 8.6486 108.8036 44.5653 0.0000 172.6070 74 F 3.9104 8.9521 121.2751 57.9069 39.8977 175.8200 75 P 3.0871 0.0000 0.0000 61.1205 28.9723 174.6971 76 E 4.1478 7.9967 124.7406 56.8166 30.8417 173.9746 77 P 4.0078 0.0000 0.0000 66.6306 31.2700 178.0898 78 T 3.8071 8.1898 115.4124 65.8059 68.4411 175.8591 79 A 4.1227 8.4452 122.6718 55.6478 18.4803 180.2113 80 V 3.6365 7.6014 117.1303 64.7692 31.3934 178.6867 81 K 4.2132 8.3384 119.5627 59.2145 31.9148 179.5887 82 R 4.0523 8.2436 118.6838 59.2552 29.8015 179.0444 83 L 4.1058 7.7050 117.4762 57.5738 41.9777 179.3710 84 V 3.6058 7.8075 118.5054 65.6450 31.3943 178.1104 85 R 3.8138 8.1380 118.6206 59.3870 29.7632 178.1215 86 D 4.4875 7.9096 117.2135 56.6013 40.8394 178.1134 87 R 4.2146 7.4737 117.0608 57.0678 30.3911 176.5206 88 V 3.7982 7.3221 122.8794 62.7544 31.7393 174.7834 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 12 T 8.17 4.27 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 1.29 0.00 0.00 13 H 7.94 4.85 0.00 3.38 3.12 0.00 5.85 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.96 4.96 0.00 1.77 1.81 0.00 3.05 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 15 V 8.39 4.87 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 1.02 0.00 0.00 0.84 0.00 0.00 16 Q 9.09 5.00 0.00 2.08 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.52 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 17 I 8.95 4.83 1.80 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 0.99 0.62 0.60 0.00 0.00 18 E 9.26 5.57 0.00 1.98 1.76 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 2.13 2.13 0.00 19 Y 8.18 5.34 0.00 3.47 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 20 C 9.68 4.67 0.00 3.15 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 21 T 8.48 3.90 4.07 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 1.16 0.00 0.00 22 Q 7.13 4.03 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 23 C 7.63 4.15 0.00 1.38 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.64 3.82 0.00 2.03 2.08 0.00 3.32 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 25 W 8.00 5.24 0.00 3.91 3.42 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 0.00 26 L 8.13 3.30 0.00 1.91 1.74 0.60 0.94 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 27 P 0.00 4.32 0.00 2.37 2.37 0.00 3.91 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.14 0.00 28 R 8.21 4.26 0.00 2.25 2.33 0.00 2.21 0.00 0.00 2.85 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.82 0.00 29 A 8.27 4.17 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 30 A 8.48 3.90 1.40 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 0.00 0.00 0.00 31 W 8.43 4.10 0.00 3.46 3.51 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 32 L 7.91 2.84 0.00 1.82 1.46 0.82 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.96 3.89 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.89 3.84 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 35 E 7.84 3.76 0.00 1.69 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 1.70 1.47 0.00 36 L 8.14 4.12 0.00 1.60 1.80 0.82 0.71 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 37 L 8.09 4.16 0.00 1.70 1.72 0.90 0.76 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 38 T 7.67 4.04 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 1.19 0.00 0.00 39 T 7.43 3.95 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 40 F 8.44 5.24 0.00 3.18 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 41 E 8.50 3.99 0.00 2.07 2.37 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 2.25 2.30 0.00 42 T 7.87 4.13 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 1.22 0.00 0.00 43 E 8.09 4.59 0.00 2.18 1.93 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 2.35 2.39 0.00 44 L 7.69 5.05 0.00 1.68 1.60 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.70 4.25 4.33 0.00 0.00 0.00 0.00 0.00 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 46 E 7.41 4.90 0.00 2.02 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 2.12 2.15 0.00 47 L 8.65 5.22 0.00 1.61 1.53 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 48 A 9.08 4.87 1.22 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 49 L 8.49 5.09 0.00 1.59 1.73 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.02 4.55 0.00 1.79 1.64 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.35 7.81 51 P 0.00 3.54 0.00 1.86 1.80 0.00 3.65 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.21 0.00 52 G 8.32 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 53 T 8.74 4.32 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 1.18 0.00 0.00 54 G 9.18 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.66 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 56 V 7.45 3.98 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 1.07 0.00 0.00 1.02 0.00 0.00 57 F 8.94 5.31 0.00 3.39 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 58 V 8.81 5.19 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 0.68 0.00 0.00 1.00 0.00 0.00 59 V 9.06 4.74 2.19 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 0.94 0.00 0.00 0.89 0.00 0.00 60 R 9.22 5.14 0.00 1.70 1.75 0.00 3.10 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 61 V 8.71 4.46 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 0.91 0.00 0.00 0.85 0.00 0.00 62 D 9.46 4.23 0.00 2.82 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 63 D 8.11 4.59 0.00 2.83 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 64 E 7.73 4.47 0.00 2.22 1.86 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 2.26 2.22 0.00 65 V 8.40 4.14 2.09 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 0.68 0.00 0.00 0.96 0.00 0.00 66 V 8.76 4.32 2.14 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 0.84 0.00 0.00 0.99 0.00 0.00 67 W 7.91 5.81 0.00 3.53 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 68 D 8.34 5.12 0.00 2.70 2.37 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 69 R 9.56 4.42 0.00 2.34 2.15 0.00 2.91 0.00 0.00 3.50 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.54 0.00 70 R 7.71 4.56 0.00 1.99 2.10 0.00 3.19 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 71 E 7.93 4.69 0.00 1.81 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 0.00 2.01 2.24 0.00 72 Q 8.03 4.18 0.00 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.34 0.00 0.00 0.00 0.00 0.00 1.79 1.88 0.00 73 G 8.65 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.95 3.91 0.00 2.97 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 75 P 0.00 3.09 0.00 1.50 1.26 0.00 2.20 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.95 0.00 76 E 8.00 4.15 0.00 2.18 1.95 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 2.52 2.43 0.00 77 P 0.00 4.01 0.00 2.34 2.42 0.00 3.99 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 78 T 8.19 3.81 4.59 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 0.00 0.00 1.24 0.00 0.00 79 A 8.45 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.60 3.64 1.14 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 0.55 0.00 0.00 0.72 0.00 0.00 81 K 8.34 4.21 0.00 2.06 1.99 0.00 1.53 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.61 1.56 7.81 82 R 8.24 4.05 0.00 2.22 2.04 0.00 3.21 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 83 L 7.70 4.11 0.00 1.86 1.82 1.17 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.81 3.61 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 0.17 0.00 0.00 0.88 0.00 0.00 85 R 8.14 3.81 0.00 2.37 2.17 0.00 3.22 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.91 0.00 86 D 7.91 4.49 0.00 2.87 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 87 R 7.47 4.21 0.00 1.70 1.94 0.00 3.25 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 88 V 7.32 3.80 1.87 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 0.42 0.00 0.00 0.61 0.00 0.00