NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 A 4.2945 8.2644 123.5817 52.1320 18.7763 175.9864 22 E 3.7828 8.6309 122.7495 57.6171 30.1033 174.8606 23 L 4.6374 8.5662 121.9215 53.6288 44.7621 174.8993 24 R 4.6225 7.9661 124.4553 56.3655 29.1110 180.7714 25 C 4.6786 8.9546 123.2509 57.6799 40.6975 172.9622 26 L 4.2076 9.4325 123.0539 55.5543 42.2712 176.2492 27 C 4.8964 8.7675 116.2879 55.0917 40.2518 173.2744 28 I 3.8552 8.0876 124.6721 62.2222 37.6316 176.4460 29 K 4.6492 7.8814 120.5030 54.5555 34.4431 175.2865 30 T 4.8915 7.5775 116.1495 61.1226 70.2207 172.9479 31 T 4.2517 7.6779 113.4922 63.7593 72.0211 173.4703 32 S 4.5214 8.7872 118.3112 58.6563 65.2300 175.4588 33 G 3.9470 7.8733 109.7648 43.8930 0.0000 171.9651 34 I 4.5722 7.5157 116.7492 59.2654 41.0571 175.0869 35 H 4.5800 8.6824 123.3584 54.1074 30.7089 173.8162 36 P 4.4149 0.0000 0.0000 65.9237 30.9855 178.3103 37 K 4.2077 8.3276 116.3661 58.3718 32.2577 177.3019 38 N 4.5722 8.5939 116.4224 54.1302 39.0082 174.7376 39 I 4.4150 7.4434 120.1418 60.8736 37.9358 175.0784 40 Q 4.4489 9.0928 127.9993 57.9868 29.6688 175.5324 41 S 4.8045 7.7402 111.2762 56.9870 66.8872 172.3532 42 L 5.1923 8.3963 119.3899 52.9207 45.2468 175.6305 43 E 4.6052 9.1553 123.4635 54.3358 32.6377 174.4108 44 V 4.6897 8.5314 126.8545 61.4044 33.3250 174.4686 45 I 4.3448 8.8569 130.4001 59.7675 38.7133 176.3603 46 G 4.1877 8.6509 114.3648 45.1700 0.0000 173.2044 47 K 4.1422 8.1408 119.4352 56.3547 32.4656 176.8853 48 G 4.3757 8.8841 114.9364 43.9175 0.0000 172.1278 49 T 4.0849 8.3289 107.8953 64.4301 69.3117 175.9617 50 H 4.2512 7.7039 117.8241 58.0002 29.1478 175.8683 51 C 4.5206 7.7751 119.2746 55.6274 44.7931 173.4340 52 N 4.7262 8.3638 131.7531 51.7432 37.5746 173.6097 53 Q 4.6346 7.0971 116.5301 55.3809 33.9815 175.2374 54 V 4.3484 8.3831 114.6747 60.9353 32.8375 175.6083 55 E 4.8177 9.1865 124.2755 54.4755 33.3277 175.1593 56 V 4.8474 8.2657 121.7508 61.2402 35.0380 173.9342 57 I 5.0238 9.0065 128.6025 59.5112 40.2878 174.2359 58 A 4.9868 8.8507 129.3733 50.8467 21.2086 175.6116 59 T 4.8022 8.6782 119.2709 62.1488 70.5782 174.9769 60 L 4.8151 8.8216 127.0096 53.4695 43.2715 178.2220 61 K 3.9418 8.8513 120.6214 59.5052 32.0077 177.9993 62 D 4.6641 8.0956 116.1336 53.0502 39.4439 176.9326 63 G 4.0468 8.1328 110.3202 45.7906 0.0000 174.8742 64 R 4.1944 7.8550 118.0522 56.4000 31.3636 175.9297 65 K 5.2743 8.5142 120.0889 54.6762 35.4747 175.7289 66 I 4.7268 8.6249 116.7383 59.2248 41.1083 173.6580 67 C 4.9687 8.8394 122.3810 57.0284 41.1620 172.5045 68 L 5.0180 8.7390 124.2030 52.7611 44.2312 176.1148 69 D 4.6266 8.8831 122.7028 53.1420 41.1801 175.3937 70 P 4.3453 0.0000 0.0000 65.0936 31.5530 177.0059 71 D 4.5294 7.9224 117.1323 55.3563 41.7991 177.3978 72 A 4.0932 7.8230 122.7145 51.2261 19.3243 176.0333 73 P 4.1773 0.0000 0.0000 65.9354 31.4028 178.7022 74 R 3.8657 7.9598 116.6085 59.6575 29.9731 178.5177 75 I 3.7599 7.5876 119.0328 64.1492 37.2449 178.4118 76 K 3.9738 8.1894 119.4920 59.2731 31.8580 179.2789 77 K 3.8811 8.2254 118.9854 59.7207 32.0485 179.1191 78 I 3.6791 8.0720 120.0957 64.5922 37.0615 178.6497 79 V 3.5863 7.9731 118.8243 66.2534 31.2477 178.1851 80 Q 4.0245 8.0328 117.5083 58.7255 28.4318 179.0000 81 K 4.0142 8.1284 119.7388 59.2183 32.1451 179.4577 82 K 3.9160 8.1335 118.8073 59.4941 31.7947 178.9543 83 L 3.9292 7.8521 118.9373 57.9755 42.0800 178.1691 84 A 4.3704 7.6213 117.8692 51.3900 19.0200 177.2344 85 G 3.8349 7.7302 105.1058 46.4030 0.0000 173.6339 86 D 4.4512 8.4592 124.9889 54.0898 41.1675 175.6495 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 21 A 8.26 4.29 1.30 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 0.00 0.00 22 E 8.63 3.78 0.00 2.00 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 2.28 2.42 0.00 23 L 8.57 4.64 0.00 1.62 1.56 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.97 4.62 0.00 1.83 0.90 0.00 3.75 0.00 0.00 3.25 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 25 C 8.95 4.68 0.00 2.97 3.20 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 0.00 26 L 9.43 4.21 0.00 1.58 1.71 0.92 0.83 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 27 C 8.77 4.90 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.09 3.86 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 1.30 0.76 0.91 0.00 0.00 29 K 7.88 4.65 0.00 1.69 1.67 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.39 7.81 30 T 7.58 4.89 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 1.25 0.00 0.00 31 T 7.68 4.25 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 1.21 0.00 0.00 32 S 8.79 4.52 0.00 3.81 3.86 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 33 G 7.87 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 34 I 7.52 4.57 1.88 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 1.30 0.64 0.92 0.00 0.00 35 H 8.68 4.58 0.00 3.26 3.21 0.00 5.89 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.41 0.00 2.24 2.30 0.00 3.43 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 37 K 8.33 4.21 0.00 1.76 1.92 0.00 1.97 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.58 7.81 38 N 8.59 4.57 0.00 2.85 2.85 0.00 0.00 6.84 7.11 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 39 I 7.44 4.42 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.95 0.00 0.00 40 Q 9.09 4.45 0.00 2.04 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 41 S 7.74 4.80 0.00 3.88 3.89 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 42 L 8.40 5.19 0.00 1.49 1.56 0.92 0.80 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 43 E 9.16 4.61 0.00 2.00 1.75 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 2.18 2.21 0.00 44 V 8.53 4.69 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 0.87 0.00 0.00 0.93 0.00 0.00 45 I 8.86 4.34 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 1.16 0.58 0.92 0.00 0.00 46 G 8.65 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.14 4.14 0.00 1.65 1.78 0.00 1.74 0.00 0.00 0.84 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.31 7.81 48 G 8.88 4.38 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 0.00 49 T 8.33 4.08 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 1.16 0.00 0.00 50 H 7.70 4.25 0.00 3.22 3.41 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.78 4.52 0.00 2.91 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 52 N 8.36 4.73 0.00 2.71 2.74 0.00 0.00 7.08 7.08 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 53 Q 7.10 4.63 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 54 V 8.38 4.35 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 0.69 0.00 0.00 0.93 0.00 0.00 55 E 9.19 4.82 0.00 1.87 1.80 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 2.20 2.21 0.00 56 V 8.27 4.85 2.24 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 1.03 0.00 0.00 0.93 0.00 0.00 57 I 9.01 5.02 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 1.16 0.56 0.91 0.00 0.00 58 A 8.85 4.99 1.24 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 0.00 0.00 59 T 8.68 4.80 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 1.21 0.00 0.00 60 L 8.82 4.82 0.00 1.79 1.68 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.85 3.94 0.00 1.73 1.88 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.32 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.53 7.81 62 D 8.10 4.66 0.00 2.76 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 63 G 8.13 4.05 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 0.00 0.00 0.00 64 R 7.85 4.19 0.00 1.96 1.87 0.00 3.07 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 65 K 8.51 5.27 0.00 1.59 1.67 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.39 7.81 66 I 8.62 4.73 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 1.23 0.88 0.91 0.00 0.00 67 C 8.84 4.97 0.00 2.99 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 68 L 8.74 5.02 0.00 1.46 1.56 0.92 1.04 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 69 D 8.88 4.63 0.00 2.80 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 70 P 0.00 4.35 0.00 2.21 2.17 0.00 3.80 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.19 0.00 71 D 7.92 4.53 0.00 2.86 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 72 A 7.82 4.09 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 73 P 0.00 4.18 0.00 2.16 2.13 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 74 R 7.96 3.87 0.00 1.87 1.92 0.00 3.17 0.00 0.00 3.52 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 75 I 7.59 3.76 2.12 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 1.63 0.80 0.91 0.00 0.00 76 K 8.19 3.97 0.00 1.96 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.67 7.81 77 K 8.23 3.88 0.00 1.90 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.73 7.81 78 I 8.07 3.68 1.86 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 1.39 0.76 0.91 0.00 0.00 79 V 7.97 3.59 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 1.03 0.00 0.00 0.97 0.00 0.00 80 Q 8.03 4.02 0.00 2.37 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 81 K 8.13 4.01 0.00 1.81 1.84 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.64 1.47 7.81 82 K 8.13 3.92 0.00 1.93 1.86 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.60 7.81 83 L 7.85 3.93 0.00 1.80 1.90 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 84 A 7.62 4.37 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 85 G 7.73 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 86 D 8.46 4.45 0.00 2.61 2.71 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