NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 M 4.2358 8.3001 120.3492 55.0323 34.1268 175.1051 21 A 3.6968 7.9775 120.7601 52.4399 18.2055 175.5971 22 A 3.5050 8.7567 129.0614 53.7363 16.4160 176.2377 23 A 4.4569 7.6292 123.6657 50.3840 19.9941 178.4100 24 V 3.6305 8.1631 116.7751 61.0182 32.1751 175.1988 25 P 4.2919 0.0000 0.0000 62.0840 30.0147 175.8052 26 Q 4.0337 8.2846 123.2458 54.5507 28.9259 176.7422 27 R 3.9326 8.4116 120.0937 56.5532 29.6691 176.5795 28 A 3.6432 7.5228 125.9878 53.3903 18.6294 177.2927 29 W 4.9673 7.0936 113.4440 54.7872 32.3594 175.9851 30 T 4.4871 8.6073 112.7534 60.4944 71.1569 176.1420 31 V 3.5330 8.3545 119.6175 66.2210 31.3773 177.5494 32 E 3.9817 8.1315 116.7336 59.6342 29.3424 178.8644 33 Q 3.9948 7.5008 116.8047 58.4598 28.7825 178.7495 34 L 3.9237 7.5833 119.1503 57.9642 41.8549 179.4463 35 R 4.0760 7.6992 116.3645 57.8338 30.1553 177.4411 36 S 4.0489 7.6623 114.3699 58.5164 62.4920 174.6232 37 E 4.1692 8.6998 125.2764 58.0849 29.9764 178.0938 38 Q 3.9566 7.6310 118.0864 58.8600 28.8367 176.5781 39 L 3.9324 7.2804 120.5395 53.6000 42.0200 174.8105 40 P 4.4293 0.0000 0.0000 62.4157 32.1506 177.1979 41 K 4.1435 8.3904 118.7174 58.6455 32.0074 179.9179 42 K 3.9630 7.8635 119.4115 60.1224 32.6608 178.8474 43 D 4.5130 7.9600 120.0438 55.3901 39.4973 178.4811 44 I 3.9156 7.5132 121.2451 64.6736 37.2925 178.1351 45 I 3.8501 7.8249 120.6059 64.0909 36.7633 178.4196 46 K 3.9972 8.3641 120.6174 59.5685 31.7384 178.5080 47 F 4.4295 8.5171 120.8510 61.6496 39.3786 177.1314 48 L 3.6831 8.3975 118.7392 57.3379 41.2309 179.0664 49 Q 4.2642 8.2239 116.6245 58.2988 29.0033 177.3451 50 E 4.1711 8.3823 121.2968 59.1433 29.8448 177.1346 51 H 4.6678 7.9758 112.7978 55.9344 31.7332 173.8030 52 G 3.6623 7.7146 108.3152 45.5415 0.0000 173.4408 53 S 4.4628 8.6265 120.6475 57.2925 63.6959 174.3319 54 D 4.4289 8.6852 121.4632 56.6730 38.7339 178.5693 55 S 4.1058 8.0194 114.0032 60.8859 62.5109 175.6152 56 F 4.2135 8.2011 122.9165 61.5449 39.2267 177.0598 57 L 3.8369 8.1129 118.2444 57.3034 41.1276 179.5313 58 A 3.9238 8.0368 120.9152 55.3120 18.2445 179.6383 59 E 3.9475 8.0079 115.6157 59.3204 29.6019 177.8833 60 H 4.4891 7.9512 113.0346 54.6996 29.4197 174.8270 61 K 3.8349 7.1289 116.6054 57.7381 29.6967 175.8448 62 L 4.4998 7.6842 116.4494 54.3262 42.4018 177.3979 63 L 4.2137 7.4905 119.2875 56.0500 41.7196 178.0394 64 G 3.7510 8.4184 105.7648 44.8051 0.0000 172.7623 65 N 4.3682 8.6273 117.4824 53.3009 39.3027 175.1380 66 I 3.7163 8.5958 127.3630 64.5846 37.4261 178.3547 67 K 3.9702 8.0339 118.7817 60.0690 32.1474 178.3686 68 N 4.2874 8.0699 116.8851 56.4162 39.2276 176.5648 69 V 3.7214 7.9449 119.5252 65.8474 31.4436 177.9593 70 A 4.0942 8.1611 120.2062 54.5323 18.2802 179.2259 71 K 4.1510 7.8863 116.1112 58.8626 32.9776 177.5474 72 T 4.3486 7.6744 111.3934 61.2816 68.4374 172.6745 73 A 4.4222 7.7804 124.3651 51.5222 19.6217 176.7626 74 N 4.8280 8.3785 120.7523 51.3876 39.4662 176.1449 75 K 3.9308 8.6978 121.6963 59.8479 32.3348 178.9004 76 D 4.4243 8.0910 118.9206 56.7216 39.2508 177.8948 77 H 4.2247 8.1244 119.8348 59.0065 29.8088 177.2997 78 L 4.0915 7.8529 120.5835 57.6439 41.5640 179.4118 79 V 3.7711 7.9583 118.4225 66.0958 31.4816 178.2618 80 T 4.0015 8.0602 115.3699 66.6821 68.3477 176.4549 81 A 4.1243 8.3281 122.8292 55.2089 18.0719 178.8004 82 Y 4.1237 8.4444 118.0995 61.2912 38.7580 178.3713 83 N 4.2944 8.6583 117.1410 56.7671 38.5952 177.2927 84 H 4.2253 8.6354 117.4243 58.1573 28.7811 177.5311 85 L 3.4230 7.5571 122.6188 58.2246 41.2956 179.1956 86 F 4.5440 7.1218 117.0763 60.3382 38.6012 177.4772 87 E 4.0722 7.9388 118.7466 58.2517 29.4941 177.7953 88 T 4.4013 7.1871 106.5439 60.0323 69.8336 173.9177 89 K 2.7375 7.4198 119.3771 57.2618 30.3749 177.4475 90 R 3.9173 7.1852 118.8022 57.9908 30.1255 177.3344 91 F 4.7739 6.3062 111.9151 56.0225 38.8086 175.6815 92 K 4.2666 8.7557 120.2969 57.1058 32.3815 175.9383 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 20 M 8.30 4.24 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.62 0.00 21 A 7.98 3.70 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 A 8.76 3.50 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 23 A 7.63 4.46 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 24 V 8.16 3.63 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 0.89 0.00 0.00 0.90 0.00 0.00 25 P 0.00 4.29 0.00 1.83 1.84 0.00 2.43 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.87 0.00 26 Q 8.28 4.03 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 27 R 8.41 3.93 0.00 2.35 1.92 0.00 2.54 0.00 0.00 2.92 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 28 A 7.52 3.64 -0.25 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 0.00 0.00 29 W 7.09 4.97 0.00 3.26 2.81 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 0.00 0.00 0.00 0.00 30 T 8.61 4.49 4.30 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 1.29 0.00 0.00 31 V 8.35 3.53 2.17 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 1.15 0.00 0.00 1.22 0.00 0.00 32 E 8.13 3.98 0.00 2.24 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 0.00 2.38 2.41 0.00 33 Q 7.50 3.99 0.00 2.41 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.10 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 34 L 7.58 3.92 0.00 1.68 1.60 0.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.70 4.08 0.00 1.92 2.00 0.00 3.20 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 36 S 7.66 4.05 0.00 3.94 3.94 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 37 E 8.70 4.17 0.00 2.09 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 2.25 2.30 0.00 38 Q 7.63 3.96 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 39 L 7.28 3.93 0.00 1.40 1.49 0.11 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.43 0.00 2.12 1.92 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 41 K 8.39 4.14 0.00 1.77 1.83 0.00 1.78 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.45 7.81 42 K 7.86 3.96 0.00 1.99 2.06 0.00 1.49 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 43 D 7.96 4.51 0.00 3.01 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 44 I 7.51 3.92 2.04 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.69 1.08 0.00 0.00 45 I 7.82 3.85 2.06 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 1.46 0.93 0.96 0.00 0.00 46 K 8.36 4.00 0.00 2.11 2.18 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.18 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.70 7.81 47 F 8.52 4.43 0.00 3.53 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.40 3.68 0.00 1.93 2.11 1.21 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.22 4.26 0.00 2.27 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.16 0.00 0.00 0.00 0.00 0.00 2.75 2.42 0.00 50 E 8.38 4.17 0.00 2.29 2.34 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 2.43 2.59 0.00 51 H 7.98 4.67 0.00 3.04 3.17 0.00 5.87 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.71 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.63 4.46 0.00 3.90 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 54 D 8.69 4.43 0.00 2.92 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 55 S 8.02 4.11 0.00 3.93 3.93 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 56 F 8.20 4.21 0.00 3.05 3.23 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 0.00 57 L 8.11 3.84 0.00 1.89 1.77 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.04 3.92 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 59 E 8.01 3.95 0.00 1.96 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 2.32 2.45 0.00 60 H 7.95 4.49 0.00 2.63 3.05 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.13 3.83 0.00 1.90 1.85 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.34 7.81 62 L 7.68 4.50 0.00 1.50 1.68 0.68 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.49 4.21 0.00 1.74 1.67 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.42 3.75 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 0.00 0.00 0.00 65 N 8.63 4.37 0.00 2.75 2.79 0.00 0.00 6.85 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 8.60 3.72 1.90 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 1.78 0.76 0.98 0.00 0.00 67 K 8.03 3.97 0.00 1.94 2.08 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.45 7.81 68 N 8.07 4.29 0.00 2.74 3.11 0.00 0.00 6.91 7.71 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 69 V 7.94 3.72 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 0.99 0.00 0.00 1.03 0.00 0.00 70 A 8.16 4.09 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 71 K 7.89 4.15 0.00 1.95 1.95 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.43 7.81 72 T 7.67 4.35 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 1.28 0.00 0.00 73 A 7.78 4.42 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 74 N 8.38 4.83 0.00 2.98 2.94 0.00 0.00 6.07 6.71 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 75 K 8.70 3.93 0.00 1.87 1.84 0.00 1.61 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.55 7.81 76 D 8.09 4.42 0.00 2.94 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 77 H 8.12 4.22 0.00 3.30 3.62 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.85 4.09 0.00 1.95 1.79 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.96 3.77 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 1.09 0.00 0.00 1.03 0.00 0.00 80 T 8.06 4.00 4.41 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 0.00 0.00 0.00 1.19 0.00 0.00 81 A 8.33 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 8.44 4.12 0.00 3.36 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.66 4.29 0.00 3.00 2.97 0.00 0.00 7.40 7.72 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 84 H 8.64 4.23 0.00 3.38 3.47 0.00 5.63 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.56 3.42 0.00 1.20 0.89 -0.51 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 86 F 7.12 4.54 0.00 3.09 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 87 E 7.94 4.07 0.00 2.08 2.13 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 2.30 2.30 0.00 88 T 7.19 4.40 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 1.20 0.00 0.00 89 K 7.42 2.74 0.00 1.72 1.41 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.21 1.24 7.81 90 R 7.19 3.92 0.00 1.54 1.85 0.00 3.28 0.00 0.00 3.52 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.49 0.00 91 F 6.31 4.77 0.00 2.95 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 92 K 8.76 4.27 0.00 1.84 1.79 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.30 7.81